Starting phenix.real_space_refine on Fri Apr 12 22:57:33 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixf_35792/04_2024/8ixf_35792_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixf_35792/04_2024/8ixf_35792.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.4 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixf_35792/04_2024/8ixf_35792.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixf_35792/04_2024/8ixf_35792.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixf_35792/04_2024/8ixf_35792_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixf_35792/04_2024/8ixf_35792_updated.pdb" } resolution = 4.4 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.008 sd= 0.065 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians P 81 5.49 5 S 576 5.16 5 C 52614 2.51 5 N 14382 2.21 5 O 16434 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "I PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 70": "NH1" <-> "NH2" Residue "I ARG 85": "NH1" <-> "NH2" Residue "I TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 213": "OE1" <-> "OE2" Residue "I ASP 224": "OD1" <-> "OD2" Residue "I TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 46": "NH1" <-> "NH2" Residue "Q PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 320": "NH1" <-> "NH2" Residue "Q GLU 325": "OE1" <-> "OE2" Residue "Q ARG 359": "NH1" <-> "NH2" Residue "Q PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 140": "OD1" <-> "OD2" Residue "Y TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 70": "NH1" <-> "NH2" Residue "A ARG 85": "NH1" <-> "NH2" Residue "A TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 213": "OE1" <-> "OE2" Residue "A ASP 224": "OD1" <-> "OD2" Residue "A TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 46": "NH1" <-> "NH2" Residue "J PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 320": "NH1" <-> "NH2" Residue "J GLU 325": "OE1" <-> "OE2" Residue "J ARG 359": "NH1" <-> "NH2" Residue "J PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 140": "OD1" <-> "OD2" Residue "S TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 70": "NH1" <-> "NH2" Residue "B ARG 85": "NH1" <-> "NH2" Residue "B TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 213": "OE1" <-> "OE2" Residue "B ASP 224": "OD1" <-> "OD2" Residue "B TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 46": "NH1" <-> "NH2" Residue "K PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 320": "NH1" <-> "NH2" Residue "K GLU 325": "OE1" <-> "OE2" Residue "K ARG 359": "NH1" <-> "NH2" Residue "K PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 140": "OD1" <-> "OD2" Residue "T TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 70": "NH1" <-> "NH2" Residue "C ARG 85": "NH1" <-> "NH2" Residue "C TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 213": "OE1" <-> "OE2" Residue "C ASP 224": "OD1" <-> "OD2" Residue "C TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 46": "NH1" <-> "NH2" Residue "L PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 320": "NH1" <-> "NH2" Residue "L GLU 325": "OE1" <-> "OE2" Residue "L ARG 359": "NH1" <-> "NH2" Residue "L PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 140": "OD1" <-> "OD2" Residue "U TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 70": "NH1" <-> "NH2" Residue "D ARG 85": "NH1" <-> "NH2" Residue "D TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 213": "OE1" <-> "OE2" Residue "D ASP 224": "OD1" <-> "OD2" Residue "D TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 46": "NH1" <-> "NH2" Residue "M PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 320": "NH1" <-> "NH2" Residue "M GLU 325": "OE1" <-> "OE2" Residue "M ARG 359": "NH1" <-> "NH2" Residue "M PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 140": "OD1" <-> "OD2" Residue "V TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 70": "NH1" <-> "NH2" Residue "E ARG 85": "NH1" <-> "NH2" Residue "E TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 213": "OE1" <-> "OE2" Residue "E ASP 224": "OD1" <-> "OD2" Residue "E TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 46": "NH1" <-> "NH2" Residue "N PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 320": "NH1" <-> "NH2" Residue "N GLU 325": "OE1" <-> "OE2" Residue "N ARG 359": "NH1" <-> "NH2" Residue "N PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 140": "OD1" <-> "OD2" Residue "W TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 70": "NH1" <-> "NH2" Residue "F ARG 85": "NH1" <-> "NH2" Residue "F TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 213": "OE1" <-> "OE2" Residue "F ASP 224": "OD1" <-> "OD2" Residue "F TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 46": "NH1" <-> "NH2" Residue "O PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 320": "NH1" <-> "NH2" Residue "O GLU 325": "OE1" <-> "OE2" Residue "O ARG 359": "NH1" <-> "NH2" Residue "O PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 140": "OD1" <-> "OD2" Residue "X TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 70": "NH1" <-> "NH2" Residue "G ARG 85": "NH1" <-> "NH2" Residue "G TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 213": "OE1" <-> "OE2" Residue "G ASP 224": "OD1" <-> "OD2" Residue "G TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 46": "NH1" <-> "NH2" Residue "P PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 320": "NH1" <-> "NH2" Residue "P GLU 325": "OE1" <-> "OE2" Residue "P ARG 359": "NH1" <-> "NH2" Residue "P PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 140": "OD1" <-> "OD2" Residue "Z TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 70": "NH1" <-> "NH2" Residue "H ARG 85": "NH1" <-> "NH2" Residue "H TYR 109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 213": "OE1" <-> "OE2" Residue "H ASP 224": "OD1" <-> "OD2" Residue "H TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 46": "NH1" <-> "NH2" Residue "R PHE 90": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 92": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 200": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 320": "NH1" <-> "NH2" Residue "R GLU 325": "OE1" <-> "OE2" Residue "R ARG 359": "NH1" <-> "NH2" Residue "R PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 140": "OD1" <-> "OD2" Residue "a TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.20s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5288/modules/chem_data/mon_lib" Total number of atoms: 84087 Number of models: 1 Model: "" Number of chains: 45 Chain: "I" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "Q" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "Y" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "A" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "J" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "S" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "B" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "K" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "T" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "C" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "L" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "U" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "D" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "M" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "V" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "E" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "N" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "W" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "F" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "O" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "X" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "G" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "P" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "Z" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "H" Number of atoms: 3350 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3350 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 20, 'TRANS': 405} Chain breaks: 1 Chain: "R" Number of atoms: 3354 Number of conformers: 1 Conformer: "" Number of residues, atoms: 426, 3354 Classifications: {'peptide': 426} Link IDs: {'PCIS': 1, 'PTRANS': 19, 'TRANS': 405} Chain: "a" Number of atoms: 2544 Number of conformers: 1 Conformer: "" Number of residues, atoms: 325, 2544 Classifications: {'peptide': 325} Link IDs: {'PTRANS': 8, 'TRANS': 316} Chain: "Q" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Y" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "J" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "S" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "K" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "T" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "L" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "U" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "M" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "V" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "N" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "W" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "O" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "X" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "P" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Z" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Chain: "R" Number of atoms: 64 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 64 Unusual residues: {'G2P': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "a" Number of atoms: 31 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 31 Unusual residues: {'ATP': 1} Classifications: {'undetermined': 1} Time building chain proxies: 32.15, per 1000 atoms: 0.38 Number of scatterers: 84087 At special positions: 0 Unit cell: (199.018, 151.57, 291.278, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 576 16.00 P 81 15.00 O 16434 8.00 N 14382 7.00 C 52614 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=9, symmetry=0 Number of additional bonds: simple=9, symmetry=0 Coordination: Other bonds: Time building additional restraints: 27.78 Conformation dependent library (CDL) restraints added in 11.3 seconds 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 19710 Finding SS restraints... running ksdssp... Secondary structure from input PDB file: 413 helices and 81 sheets defined 40.1% alpha, 13.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 12.24 Creating SS restraints... Processing helix chain 'I' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU I 22 " --> pdb=" O ASN I 18 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LEU I 23 " --> pdb=" O ALA I 19 " (cutoff:3.500A) Processing helix chain 'I' and resid 79 through 85 Processing helix chain 'I' and resid 115 through 118 No H-bonds generated for 'chain 'I' and resid 115 through 118' Processing helix chain 'I' and resid 121 through 133 removed outlier: 3.751A pdb=" N ASP I 126 " --> pdb=" O ASP I 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG I 127 " --> pdb=" O PRO I 123 " (cutoff:3.500A) Processing helix chain 'I' and resid 154 through 164 Processing helix chain 'I' and resid 189 through 203 removed outlier: 3.662A pdb=" N HIS I 198 " --> pdb=" O ILE I 194 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N THR I 199 " --> pdb=" O LEU I 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU I 202 " --> pdb=" O HIS I 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS I 203 " --> pdb=" O THR I 199 " (cutoff:3.500A) Processing helix chain 'I' and resid 212 through 221 Processing helix chain 'I' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG I 235 " --> pdb=" O THR I 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU I 236 " --> pdb=" O ASN I 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR I 245 " --> pdb=" O VAL I 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER I 247 " --> pdb=" O SER I 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU I 248 " --> pdb=" O ILE I 244 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG I 249 " --> pdb=" O THR I 245 " (cutoff:3.500A) Processing helix chain 'I' and resid 258 through 263 Processing helix chain 'I' and resid 284 through 289 removed outlier: 3.812A pdb=" N TYR I 288 " --> pdb=" O ALA I 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS I 289 " --> pdb=" O GLU I 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 284 through 289' Processing helix chain 'I' and resid 294 through 301 Processing helix chain 'I' and resid 304 through 306 No H-bonds generated for 'chain 'I' and resid 304 through 306' Processing helix chain 'I' and resid 331 through 343 removed outlier: 3.663A pdb=" N ASN I 335 " --> pdb=" O PRO I 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR I 343 " --> pdb=" O ALA I 339 " (cutoff:3.500A) Processing helix chain 'I' and resid 388 through 406 removed outlier: 3.600A pdb=" N ALA I 391 " --> pdb=" O THR I 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU I 392 " --> pdb=" O ALA I 389 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LEU I 397 " --> pdb=" O TRP I 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP I 398 " --> pdb=" O ALA I 395 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS I 400 " --> pdb=" O LEU I 397 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR I 405 " --> pdb=" O ASP I 402 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ALA I 406 " --> pdb=" O LEU I 403 " (cutoff:3.500A) Processing helix chain 'I' and resid 412 through 417 Processing helix chain 'I' and resid 422 through 441 removed outlier: 3.503A pdb=" N MET I 431 " --> pdb=" O ALA I 427 " (cutoff:3.500A) Processing helix chain 'Q' and resid 11 through 28 removed outlier: 3.531A pdb=" N GLU Q 27 " --> pdb=" O VAL Q 23 " (cutoff:3.500A) Processing helix chain 'Q' and resid 55 through 57 No H-bonds generated for 'chain 'Q' and resid 55 through 57' Processing helix chain 'Q' and resid 70 through 77 Processing helix chain 'Q' and resid 103 through 106 No H-bonds generated for 'chain 'Q' and resid 103 through 106' Processing helix chain 'Q' and resid 110 through 126 removed outlier: 4.060A pdb=" N ASP Q 114 " --> pdb=" O ALA Q 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER Q 115 " --> pdb=" O GLU Q 111 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N ASP Q 118 " --> pdb=" O ASP Q 114 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N VAL Q 119 " --> pdb=" O SER Q 115 " (cutoff:3.500A) Processing helix chain 'Q' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE Q 152 " --> pdb=" O GLY Q 148 " (cutoff:3.500A) Processing helix chain 'Q' and resid 181 through 192 removed outlier: 3.707A pdb=" N HIS Q 190 " --> pdb=" O THR Q 186 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N GLN Q 191 " --> pdb=" O LEU Q 187 " (cutoff:3.500A) Processing helix chain 'Q' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS Q 211 " --> pdb=" O LEU Q 207 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ARG Q 213 " --> pdb=" O ASP Q 209 " (cutoff:3.500A) Processing helix chain 'Q' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU Q 228 " --> pdb=" O ASP Q 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL Q 229 " --> pdb=" O LEU Q 225 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THR Q 232 " --> pdb=" O LEU Q 228 " (cutoff:3.500A) Processing helix chain 'Q' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN Q 256 " --> pdb=" O LYS Q 252 " (cutoff:3.500A) Processing helix chain 'Q' and resid 276 through 278 No H-bonds generated for 'chain 'Q' and resid 276 through 278' Processing helix chain 'Q' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN Q 292 " --> pdb=" O GLU Q 288 " (cutoff:3.500A) Processing helix chain 'Q' and resid 305 through 307 No H-bonds generated for 'chain 'Q' and resid 305 through 307' Processing helix chain 'Q' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET Q 330 " --> pdb=" O VAL Q 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN Q 334 " --> pdb=" O MET Q 330 " (cutoff:3.500A) Processing helix chain 'Q' and resid 338 through 340 No H-bonds generated for 'chain 'Q' and resid 338 through 340' Processing helix chain 'Q' and resid 372 through 389 removed outlier: 3.504A pdb=" N GLN Q 375 " --> pdb=" O THR Q 372 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ARG Q 380 " --> pdb=" O LEU Q 377 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N ILE Q 381 " --> pdb=" O PHE Q 378 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU Q 383 " --> pdb=" O ARG Q 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR Q 386 " --> pdb=" O GLU Q 383 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA Q 387 " --> pdb=" O GLN Q 384 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE Q 389 " --> pdb=" O THR Q 386 " (cutoff:3.500A) Processing helix chain 'Q' and resid 396 through 401 removed outlier: 4.211A pdb=" N GLU Q 401 " --> pdb=" O TRP Q 397 " (cutoff:3.500A) Processing helix chain 'Q' and resid 405 through 424 Processing helix chain 'Y' and resid 20 through 23 No H-bonds generated for 'chain 'Y' and resid 20 through 23' Processing helix chain 'Y' and resid 58 through 65 Processing helix chain 'Y' and resid 67 through 75 removed outlier: 3.942A pdb=" N LYS Y 71 " --> pdb=" O LYS Y 67 " (cutoff:3.500A) Processing helix chain 'Y' and resid 91 through 95 Processing helix chain 'Y' and resid 107 through 121 Processing helix chain 'Y' and resid 176 through 188 Processing helix chain 'Y' and resid 238 through 241 No H-bonds generated for 'chain 'Y' and resid 238 through 241' Processing helix chain 'Y' and resid 245 through 270 removed outlier: 3.827A pdb=" N ASN Y 253 " --> pdb=" O GLU Y 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE Y 254 " --> pdb=" O ALA Y 251 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYS Y 256 " --> pdb=" O ASN Y 253 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU Y 258 " --> pdb=" O ASN Y 255 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N SER Y 259 " --> pdb=" O LYS Y 256 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LEU Y 261 " --> pdb=" O LEU Y 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE Y 265 " --> pdb=" O GLY Y 262 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU Y 270 " --> pdb=" O ALA Y 267 " (cutoff:3.500A) Processing helix chain 'Y' and resid 277 through 279 No H-bonds generated for 'chain 'Y' and resid 277 through 279' Processing helix chain 'Y' and resid 281 through 285 removed outlier: 3.610A pdb=" N ILE Y 285 " --> pdb=" O LYS Y 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 281 through 285' Processing helix chain 'Y' and resid 287 through 291 Processing helix chain 'Y' and resid 309 through 323 Processing helix chain 'A' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU A 22 " --> pdb=" O ASN A 18 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LEU A 23 " --> pdb=" O ALA A 19 " (cutoff:3.500A) Processing helix chain 'A' and resid 79 through 85 Processing helix chain 'A' and resid 115 through 118 No H-bonds generated for 'chain 'A' and resid 115 through 118' Processing helix chain 'A' and resid 121 through 133 removed outlier: 3.751A pdb=" N ASP A 126 " --> pdb=" O ASP A 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG A 127 " --> pdb=" O PRO A 123 " (cutoff:3.500A) Processing helix chain 'A' and resid 154 through 164 Processing helix chain 'A' and resid 189 through 203 removed outlier: 3.660A pdb=" N HIS A 198 " --> pdb=" O ILE A 194 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N THR A 199 " --> pdb=" O LEU A 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU A 202 " --> pdb=" O HIS A 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS A 203 " --> pdb=" O THR A 199 " (cutoff:3.500A) Processing helix chain 'A' and resid 212 through 221 Processing helix chain 'A' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG A 235 " --> pdb=" O THR A 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU A 236 " --> pdb=" O ASN A 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR A 245 " --> pdb=" O VAL A 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER A 247 " --> pdb=" O SER A 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU A 248 " --> pdb=" O ILE A 244 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG A 249 " --> pdb=" O THR A 245 " (cutoff:3.500A) Processing helix chain 'A' and resid 258 through 263 Processing helix chain 'A' and resid 284 through 289 removed outlier: 3.812A pdb=" N TYR A 288 " --> pdb=" O ALA A 284 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N HIS A 289 " --> pdb=" O GLU A 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 284 through 289' Processing helix chain 'A' and resid 294 through 301 Processing helix chain 'A' and resid 304 through 306 No H-bonds generated for 'chain 'A' and resid 304 through 306' Processing helix chain 'A' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN A 335 " --> pdb=" O PRO A 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR A 343 " --> pdb=" O ALA A 339 " (cutoff:3.500A) Processing helix chain 'A' and resid 388 through 406 removed outlier: 3.602A pdb=" N ALA A 391 " --> pdb=" O THR A 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU A 392 " --> pdb=" O ALA A 389 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU A 397 " --> pdb=" O TRP A 394 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASP A 398 " --> pdb=" O ALA A 395 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS A 400 " --> pdb=" O LEU A 397 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR A 405 " --> pdb=" O ASP A 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA A 406 " --> pdb=" O LEU A 403 " (cutoff:3.500A) Processing helix chain 'A' and resid 412 through 417 Processing helix chain 'A' and resid 422 through 441 removed outlier: 3.502A pdb=" N MET A 431 " --> pdb=" O ALA A 427 " (cutoff:3.500A) Processing helix chain 'J' and resid 11 through 28 removed outlier: 3.532A pdb=" N GLU J 27 " --> pdb=" O VAL J 23 " (cutoff:3.500A) Processing helix chain 'J' and resid 55 through 57 No H-bonds generated for 'chain 'J' and resid 55 through 57' Processing helix chain 'J' and resid 70 through 77 Processing helix chain 'J' and resid 103 through 106 No H-bonds generated for 'chain 'J' and resid 103 through 106' Processing helix chain 'J' and resid 110 through 126 removed outlier: 4.059A pdb=" N ASP J 114 " --> pdb=" O ALA J 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER J 115 " --> pdb=" O GLU J 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP J 118 " --> pdb=" O ASP J 114 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VAL J 119 " --> pdb=" O SER J 115 " (cutoff:3.500A) Processing helix chain 'J' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE J 152 " --> pdb=" O GLY J 148 " (cutoff:3.500A) Processing helix chain 'J' and resid 181 through 192 removed outlier: 3.707A pdb=" N HIS J 190 " --> pdb=" O THR J 186 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N GLN J 191 " --> pdb=" O LEU J 187 " (cutoff:3.500A) Processing helix chain 'J' and resid 204 through 213 removed outlier: 3.732A pdb=" N CYS J 211 " --> pdb=" O LEU J 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG J 213 " --> pdb=" O ASP J 209 " (cutoff:3.500A) Processing helix chain 'J' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU J 228 " --> pdb=" O ASP J 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL J 229 " --> pdb=" O LEU J 225 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THR J 232 " --> pdb=" O LEU J 228 " (cutoff:3.500A) Processing helix chain 'J' and resid 250 through 257 removed outlier: 3.917A pdb=" N ASN J 256 " --> pdb=" O LYS J 252 " (cutoff:3.500A) Processing helix chain 'J' and resid 276 through 278 No H-bonds generated for 'chain 'J' and resid 276 through 278' Processing helix chain 'J' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN J 292 " --> pdb=" O GLU J 288 " (cutoff:3.500A) Processing helix chain 'J' and resid 305 through 307 No H-bonds generated for 'chain 'J' and resid 305 through 307' Processing helix chain 'J' and resid 323 through 335 removed outlier: 3.512A pdb=" N MET J 330 " --> pdb=" O VAL J 326 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N GLN J 334 " --> pdb=" O MET J 330 " (cutoff:3.500A) Processing helix chain 'J' and resid 338 through 340 No H-bonds generated for 'chain 'J' and resid 338 through 340' Processing helix chain 'J' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN J 375 " --> pdb=" O THR J 372 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ARG J 380 " --> pdb=" O LEU J 377 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ILE J 381 " --> pdb=" O PHE J 378 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU J 383 " --> pdb=" O ARG J 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR J 386 " --> pdb=" O GLU J 383 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA J 387 " --> pdb=" O GLN J 384 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE J 389 " --> pdb=" O THR J 386 " (cutoff:3.500A) Processing helix chain 'J' and resid 396 through 401 removed outlier: 4.211A pdb=" N GLU J 401 " --> pdb=" O TRP J 397 " (cutoff:3.500A) Processing helix chain 'J' and resid 405 through 424 Processing helix chain 'S' and resid 20 through 23 No H-bonds generated for 'chain 'S' and resid 20 through 23' Processing helix chain 'S' and resid 58 through 65 Processing helix chain 'S' and resid 67 through 75 removed outlier: 3.942A pdb=" N LYS S 71 " --> pdb=" O LYS S 67 " (cutoff:3.500A) Processing helix chain 'S' and resid 91 through 95 Processing helix chain 'S' and resid 107 through 121 Processing helix chain 'S' and resid 176 through 188 Processing helix chain 'S' and resid 238 through 241 No H-bonds generated for 'chain 'S' and resid 238 through 241' Processing helix chain 'S' and resid 245 through 270 removed outlier: 3.826A pdb=" N ASN S 253 " --> pdb=" O GLU S 250 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ILE S 254 " --> pdb=" O ALA S 251 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYS S 256 " --> pdb=" O ASN S 253 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N LEU S 258 " --> pdb=" O ASN S 255 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N SER S 259 " --> pdb=" O LYS S 256 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LEU S 261 " --> pdb=" O LEU S 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE S 265 " --> pdb=" O GLY S 262 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N GLU S 270 " --> pdb=" O ALA S 267 " (cutoff:3.500A) Processing helix chain 'S' and resid 277 through 279 No H-bonds generated for 'chain 'S' and resid 277 through 279' Processing helix chain 'S' and resid 281 through 285 removed outlier: 3.611A pdb=" N ILE S 285 " --> pdb=" O LYS S 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 281 through 285' Processing helix chain 'S' and resid 287 through 291 Processing helix chain 'S' and resid 309 through 323 Processing helix chain 'B' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU B 22 " --> pdb=" O ASN B 18 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LEU B 23 " --> pdb=" O ALA B 19 " (cutoff:3.500A) Processing helix chain 'B' and resid 79 through 85 Processing helix chain 'B' and resid 115 through 118 No H-bonds generated for 'chain 'B' and resid 115 through 118' Processing helix chain 'B' and resid 121 through 133 removed outlier: 3.751A pdb=" N ASP B 126 " --> pdb=" O ASP B 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG B 127 " --> pdb=" O PRO B 123 " (cutoff:3.500A) Processing helix chain 'B' and resid 154 through 164 Processing helix chain 'B' and resid 189 through 203 removed outlier: 3.661A pdb=" N HIS B 198 " --> pdb=" O ILE B 194 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N THR B 199 " --> pdb=" O LEU B 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU B 202 " --> pdb=" O HIS B 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS B 203 " --> pdb=" O THR B 199 " (cutoff:3.500A) Processing helix chain 'B' and resid 212 through 221 Processing helix chain 'B' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG B 235 " --> pdb=" O THR B 231 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU B 236 " --> pdb=" O ASN B 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR B 245 " --> pdb=" O VAL B 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER B 247 " --> pdb=" O SER B 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU B 248 " --> pdb=" O ILE B 244 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG B 249 " --> pdb=" O THR B 245 " (cutoff:3.500A) Processing helix chain 'B' and resid 258 through 263 Processing helix chain 'B' and resid 284 through 289 removed outlier: 3.811A pdb=" N TYR B 288 " --> pdb=" O ALA B 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS B 289 " --> pdb=" O GLU B 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 284 through 289' Processing helix chain 'B' and resid 294 through 301 Processing helix chain 'B' and resid 304 through 306 No H-bonds generated for 'chain 'B' and resid 304 through 306' Processing helix chain 'B' and resid 331 through 343 removed outlier: 3.665A pdb=" N ASN B 335 " --> pdb=" O PRO B 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR B 343 " --> pdb=" O ALA B 339 " (cutoff:3.500A) Processing helix chain 'B' and resid 388 through 406 removed outlier: 3.602A pdb=" N ALA B 391 " --> pdb=" O THR B 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU B 392 " --> pdb=" O ALA B 389 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU B 397 " --> pdb=" O TRP B 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP B 398 " --> pdb=" O ALA B 395 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LYS B 400 " --> pdb=" O LEU B 397 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR B 405 " --> pdb=" O ASP B 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA B 406 " --> pdb=" O LEU B 403 " (cutoff:3.500A) Processing helix chain 'B' and resid 412 through 417 Processing helix chain 'B' and resid 422 through 441 removed outlier: 3.503A pdb=" N MET B 431 " --> pdb=" O ALA B 427 " (cutoff:3.500A) Processing helix chain 'K' and resid 11 through 28 removed outlier: 3.533A pdb=" N GLU K 27 " --> pdb=" O VAL K 23 " (cutoff:3.500A) Processing helix chain 'K' and resid 55 through 57 No H-bonds generated for 'chain 'K' and resid 55 through 57' Processing helix chain 'K' and resid 70 through 77 Processing helix chain 'K' and resid 103 through 106 No H-bonds generated for 'chain 'K' and resid 103 through 106' Processing helix chain 'K' and resid 110 through 126 removed outlier: 4.060A pdb=" N ASP K 114 " --> pdb=" O ALA K 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER K 115 " --> pdb=" O GLU K 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP K 118 " --> pdb=" O ASP K 114 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VAL K 119 " --> pdb=" O SER K 115 " (cutoff:3.500A) Processing helix chain 'K' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE K 152 " --> pdb=" O GLY K 148 " (cutoff:3.500A) Processing helix chain 'K' and resid 181 through 192 removed outlier: 3.707A pdb=" N HIS K 190 " --> pdb=" O THR K 186 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N GLN K 191 " --> pdb=" O LEU K 187 " (cutoff:3.500A) Processing helix chain 'K' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS K 211 " --> pdb=" O LEU K 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG K 213 " --> pdb=" O ASP K 209 " (cutoff:3.500A) Processing helix chain 'K' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU K 228 " --> pdb=" O ASP K 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL K 229 " --> pdb=" O LEU K 225 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N THR K 232 " --> pdb=" O LEU K 228 " (cutoff:3.500A) Processing helix chain 'K' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN K 256 " --> pdb=" O LYS K 252 " (cutoff:3.500A) Processing helix chain 'K' and resid 276 through 278 No H-bonds generated for 'chain 'K' and resid 276 through 278' Processing helix chain 'K' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN K 292 " --> pdb=" O GLU K 288 " (cutoff:3.500A) Processing helix chain 'K' and resid 305 through 307 No H-bonds generated for 'chain 'K' and resid 305 through 307' Processing helix chain 'K' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET K 330 " --> pdb=" O VAL K 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN K 334 " --> pdb=" O MET K 330 " (cutoff:3.500A) Processing helix chain 'K' and resid 338 through 340 No H-bonds generated for 'chain 'K' and resid 338 through 340' Processing helix chain 'K' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN K 375 " --> pdb=" O THR K 372 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ARG K 380 " --> pdb=" O LEU K 377 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ILE K 381 " --> pdb=" O PHE K 378 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU K 383 " --> pdb=" O ARG K 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR K 386 " --> pdb=" O GLU K 383 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA K 387 " --> pdb=" O GLN K 384 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE K 389 " --> pdb=" O THR K 386 " (cutoff:3.500A) Processing helix chain 'K' and resid 396 through 401 removed outlier: 4.211A pdb=" N GLU K 401 " --> pdb=" O TRP K 397 " (cutoff:3.500A) Processing helix chain 'K' and resid 405 through 424 Processing helix chain 'T' and resid 20 through 23 No H-bonds generated for 'chain 'T' and resid 20 through 23' Processing helix chain 'T' and resid 58 through 65 Processing helix chain 'T' and resid 67 through 75 removed outlier: 3.943A pdb=" N LYS T 71 " --> pdb=" O LYS T 67 " (cutoff:3.500A) Processing helix chain 'T' and resid 91 through 95 Processing helix chain 'T' and resid 107 through 121 Processing helix chain 'T' and resid 176 through 188 Processing helix chain 'T' and resid 238 through 241 No H-bonds generated for 'chain 'T' and resid 238 through 241' Processing helix chain 'T' and resid 245 through 270 removed outlier: 3.826A pdb=" N ASN T 253 " --> pdb=" O GLU T 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE T 254 " --> pdb=" O ALA T 251 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYS T 256 " --> pdb=" O ASN T 253 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU T 258 " --> pdb=" O ASN T 255 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N SER T 259 " --> pdb=" O LYS T 256 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LEU T 261 " --> pdb=" O LEU T 258 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ILE T 265 " --> pdb=" O GLY T 262 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU T 270 " --> pdb=" O ALA T 267 " (cutoff:3.500A) Processing helix chain 'T' and resid 277 through 279 No H-bonds generated for 'chain 'T' and resid 277 through 279' Processing helix chain 'T' and resid 281 through 285 removed outlier: 3.611A pdb=" N ILE T 285 " --> pdb=" O LYS T 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 281 through 285' Processing helix chain 'T' and resid 287 through 291 Processing helix chain 'T' and resid 309 through 323 Processing helix chain 'C' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU C 22 " --> pdb=" O ASN C 18 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LEU C 23 " --> pdb=" O ALA C 19 " (cutoff:3.500A) Processing helix chain 'C' and resid 79 through 85 Processing helix chain 'C' and resid 115 through 118 No H-bonds generated for 'chain 'C' and resid 115 through 118' Processing helix chain 'C' and resid 121 through 133 removed outlier: 3.752A pdb=" N ASP C 126 " --> pdb=" O ASP C 122 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ARG C 127 " --> pdb=" O PRO C 123 " (cutoff:3.500A) Processing helix chain 'C' and resid 154 through 164 Processing helix chain 'C' and resid 189 through 203 removed outlier: 3.662A pdb=" N HIS C 198 " --> pdb=" O ILE C 194 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N THR C 199 " --> pdb=" O LEU C 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU C 202 " --> pdb=" O HIS C 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS C 203 " --> pdb=" O THR C 199 " (cutoff:3.500A) Processing helix chain 'C' and resid 212 through 221 Processing helix chain 'C' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG C 235 " --> pdb=" O THR C 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU C 236 " --> pdb=" O ASN C 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR C 245 " --> pdb=" O VAL C 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER C 247 " --> pdb=" O SER C 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU C 248 " --> pdb=" O ILE C 244 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG C 249 " --> pdb=" O THR C 245 " (cutoff:3.500A) Processing helix chain 'C' and resid 258 through 263 Processing helix chain 'C' and resid 284 through 289 removed outlier: 3.812A pdb=" N TYR C 288 " --> pdb=" O ALA C 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS C 289 " --> pdb=" O GLU C 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 284 through 289' Processing helix chain 'C' and resid 294 through 301 Processing helix chain 'C' and resid 304 through 306 No H-bonds generated for 'chain 'C' and resid 304 through 306' Processing helix chain 'C' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN C 335 " --> pdb=" O PRO C 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR C 343 " --> pdb=" O ALA C 339 " (cutoff:3.500A) Processing helix chain 'C' and resid 388 through 406 removed outlier: 3.601A pdb=" N ALA C 391 " --> pdb=" O THR C 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU C 392 " --> pdb=" O ALA C 389 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LEU C 397 " --> pdb=" O TRP C 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP C 398 " --> pdb=" O ALA C 395 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS C 400 " --> pdb=" O LEU C 397 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR C 405 " --> pdb=" O ASP C 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA C 406 " --> pdb=" O LEU C 403 " (cutoff:3.500A) Processing helix chain 'C' and resid 412 through 417 Processing helix chain 'C' and resid 422 through 441 removed outlier: 3.503A pdb=" N MET C 431 " --> pdb=" O ALA C 427 " (cutoff:3.500A) Processing helix chain 'L' and resid 11 through 28 removed outlier: 3.532A pdb=" N GLU L 27 " --> pdb=" O VAL L 23 " (cutoff:3.500A) Processing helix chain 'L' and resid 55 through 57 No H-bonds generated for 'chain 'L' and resid 55 through 57' Processing helix chain 'L' and resid 70 through 77 Processing helix chain 'L' and resid 103 through 106 No H-bonds generated for 'chain 'L' and resid 103 through 106' Processing helix chain 'L' and resid 110 through 126 removed outlier: 4.060A pdb=" N ASP L 114 " --> pdb=" O ALA L 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER L 115 " --> pdb=" O GLU L 111 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ASP L 118 " --> pdb=" O ASP L 114 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N VAL L 119 " --> pdb=" O SER L 115 " (cutoff:3.500A) Processing helix chain 'L' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE L 152 " --> pdb=" O GLY L 148 " (cutoff:3.500A) Processing helix chain 'L' and resid 181 through 192 removed outlier: 3.706A pdb=" N HIS L 190 " --> pdb=" O THR L 186 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N GLN L 191 " --> pdb=" O LEU L 187 " (cutoff:3.500A) Processing helix chain 'L' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS L 211 " --> pdb=" O LEU L 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG L 213 " --> pdb=" O ASP L 209 " (cutoff:3.500A) Processing helix chain 'L' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU L 228 " --> pdb=" O ASP L 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL L 229 " --> pdb=" O LEU L 225 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THR L 232 " --> pdb=" O LEU L 228 " (cutoff:3.500A) Processing helix chain 'L' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN L 256 " --> pdb=" O LYS L 252 " (cutoff:3.500A) Processing helix chain 'L' and resid 276 through 278 No H-bonds generated for 'chain 'L' and resid 276 through 278' Processing helix chain 'L' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN L 292 " --> pdb=" O GLU L 288 " (cutoff:3.500A) Processing helix chain 'L' and resid 305 through 307 No H-bonds generated for 'chain 'L' and resid 305 through 307' Processing helix chain 'L' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET L 330 " --> pdb=" O VAL L 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN L 334 " --> pdb=" O MET L 330 " (cutoff:3.500A) Processing helix chain 'L' and resid 338 through 340 No H-bonds generated for 'chain 'L' and resid 338 through 340' Processing helix chain 'L' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN L 375 " --> pdb=" O THR L 372 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG L 380 " --> pdb=" O LEU L 377 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ILE L 381 " --> pdb=" O PHE L 378 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU L 383 " --> pdb=" O ARG L 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR L 386 " --> pdb=" O GLU L 383 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA L 387 " --> pdb=" O GLN L 384 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE L 389 " --> pdb=" O THR L 386 " (cutoff:3.500A) Processing helix chain 'L' and resid 396 through 401 removed outlier: 4.212A pdb=" N GLU L 401 " --> pdb=" O TRP L 397 " (cutoff:3.500A) Processing helix chain 'L' and resid 405 through 424 Processing helix chain 'U' and resid 20 through 23 No H-bonds generated for 'chain 'U' and resid 20 through 23' Processing helix chain 'U' and resid 58 through 65 Processing helix chain 'U' and resid 67 through 75 removed outlier: 3.943A pdb=" N LYS U 71 " --> pdb=" O LYS U 67 " (cutoff:3.500A) Processing helix chain 'U' and resid 91 through 95 Processing helix chain 'U' and resid 107 through 121 Processing helix chain 'U' and resid 176 through 188 Processing helix chain 'U' and resid 238 through 241 No H-bonds generated for 'chain 'U' and resid 238 through 241' Processing helix chain 'U' and resid 245 through 270 removed outlier: 3.826A pdb=" N ASN U 253 " --> pdb=" O GLU U 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE U 254 " --> pdb=" O ALA U 251 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYS U 256 " --> pdb=" O ASN U 253 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU U 258 " --> pdb=" O ASN U 255 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N SER U 259 " --> pdb=" O LYS U 256 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LEU U 261 " --> pdb=" O LEU U 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE U 265 " --> pdb=" O GLY U 262 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU U 270 " --> pdb=" O ALA U 267 " (cutoff:3.500A) Processing helix chain 'U' and resid 277 through 279 No H-bonds generated for 'chain 'U' and resid 277 through 279' Processing helix chain 'U' and resid 281 through 285 removed outlier: 3.611A pdb=" N ILE U 285 " --> pdb=" O LYS U 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 281 through 285' Processing helix chain 'U' and resid 287 through 291 Processing helix chain 'U' and resid 309 through 323 Processing helix chain 'D' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU D 22 " --> pdb=" O ASN D 18 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LEU D 23 " --> pdb=" O ALA D 19 " (cutoff:3.500A) Processing helix chain 'D' and resid 79 through 85 Processing helix chain 'D' and resid 115 through 118 No H-bonds generated for 'chain 'D' and resid 115 through 118' Processing helix chain 'D' and resid 121 through 133 removed outlier: 3.751A pdb=" N ASP D 126 " --> pdb=" O ASP D 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG D 127 " --> pdb=" O PRO D 123 " (cutoff:3.500A) Processing helix chain 'D' and resid 154 through 164 Processing helix chain 'D' and resid 189 through 203 removed outlier: 3.662A pdb=" N HIS D 198 " --> pdb=" O ILE D 194 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N THR D 199 " --> pdb=" O LEU D 195 " (cutoff:3.500A) removed outlier: 4.938A pdb=" N GLU D 202 " --> pdb=" O HIS D 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS D 203 " --> pdb=" O THR D 199 " (cutoff:3.500A) Processing helix chain 'D' and resid 212 through 221 Processing helix chain 'D' and resid 230 through 249 removed outlier: 3.667A pdb=" N ARG D 235 " --> pdb=" O THR D 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU D 236 " --> pdb=" O ASN D 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR D 245 " --> pdb=" O VAL D 241 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N SER D 247 " --> pdb=" O SER D 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU D 248 " --> pdb=" O ILE D 244 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ARG D 249 " --> pdb=" O THR D 245 " (cutoff:3.500A) Processing helix chain 'D' and resid 258 through 263 Processing helix chain 'D' and resid 284 through 289 removed outlier: 3.811A pdb=" N TYR D 288 " --> pdb=" O ALA D 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS D 289 " --> pdb=" O GLU D 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 284 through 289' Processing helix chain 'D' and resid 294 through 301 Processing helix chain 'D' and resid 304 through 306 No H-bonds generated for 'chain 'D' and resid 304 through 306' Processing helix chain 'D' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN D 335 " --> pdb=" O PRO D 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR D 343 " --> pdb=" O ALA D 339 " (cutoff:3.500A) Processing helix chain 'D' and resid 388 through 406 removed outlier: 3.600A pdb=" N ALA D 391 " --> pdb=" O THR D 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU D 392 " --> pdb=" O ALA D 389 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU D 397 " --> pdb=" O TRP D 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP D 398 " --> pdb=" O ALA D 395 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS D 400 " --> pdb=" O LEU D 397 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR D 405 " --> pdb=" O ASP D 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA D 406 " --> pdb=" O LEU D 403 " (cutoff:3.500A) Processing helix chain 'D' and resid 412 through 417 Processing helix chain 'D' and resid 422 through 441 removed outlier: 3.502A pdb=" N MET D 431 " --> pdb=" O ALA D 427 " (cutoff:3.500A) Processing helix chain 'M' and resid 11 through 28 removed outlier: 3.533A pdb=" N GLU M 27 " --> pdb=" O VAL M 23 " (cutoff:3.500A) Processing helix chain 'M' and resid 55 through 57 No H-bonds generated for 'chain 'M' and resid 55 through 57' Processing helix chain 'M' and resid 70 through 77 Processing helix chain 'M' and resid 103 through 106 No H-bonds generated for 'chain 'M' and resid 103 through 106' Processing helix chain 'M' and resid 110 through 126 removed outlier: 4.060A pdb=" N ASP M 114 " --> pdb=" O ALA M 110 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N SER M 115 " --> pdb=" O GLU M 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP M 118 " --> pdb=" O ASP M 114 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VAL M 119 " --> pdb=" O SER M 115 " (cutoff:3.500A) Processing helix chain 'M' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE M 152 " --> pdb=" O GLY M 148 " (cutoff:3.500A) Processing helix chain 'M' and resid 181 through 192 removed outlier: 3.707A pdb=" N HIS M 190 " --> pdb=" O THR M 186 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N GLN M 191 " --> pdb=" O LEU M 187 " (cutoff:3.500A) Processing helix chain 'M' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS M 211 " --> pdb=" O LEU M 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG M 213 " --> pdb=" O ASP M 209 " (cutoff:3.500A) Processing helix chain 'M' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU M 228 " --> pdb=" O ASP M 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL M 229 " --> pdb=" O LEU M 225 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N THR M 232 " --> pdb=" O LEU M 228 " (cutoff:3.500A) Processing helix chain 'M' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN M 256 " --> pdb=" O LYS M 252 " (cutoff:3.500A) Processing helix chain 'M' and resid 276 through 278 No H-bonds generated for 'chain 'M' and resid 276 through 278' Processing helix chain 'M' and resid 286 through 293 removed outlier: 3.697A pdb=" N GLN M 292 " --> pdb=" O GLU M 288 " (cutoff:3.500A) Processing helix chain 'M' and resid 305 through 307 No H-bonds generated for 'chain 'M' and resid 305 through 307' Processing helix chain 'M' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET M 330 " --> pdb=" O VAL M 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN M 334 " --> pdb=" O MET M 330 " (cutoff:3.500A) Processing helix chain 'M' and resid 338 through 340 No H-bonds generated for 'chain 'M' and resid 338 through 340' Processing helix chain 'M' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN M 375 " --> pdb=" O THR M 372 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N ARG M 380 " --> pdb=" O LEU M 377 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ILE M 381 " --> pdb=" O PHE M 378 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU M 383 " --> pdb=" O ARG M 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR M 386 " --> pdb=" O GLU M 383 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA M 387 " --> pdb=" O GLN M 384 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE M 389 " --> pdb=" O THR M 386 " (cutoff:3.500A) Processing helix chain 'M' and resid 396 through 401 removed outlier: 4.211A pdb=" N GLU M 401 " --> pdb=" O TRP M 397 " (cutoff:3.500A) Processing helix chain 'M' and resid 405 through 424 Processing helix chain 'V' and resid 20 through 23 No H-bonds generated for 'chain 'V' and resid 20 through 23' Processing helix chain 'V' and resid 58 through 65 Processing helix chain 'V' and resid 67 through 75 removed outlier: 3.942A pdb=" N LYS V 71 " --> pdb=" O LYS V 67 " (cutoff:3.500A) Processing helix chain 'V' and resid 91 through 95 Processing helix chain 'V' and resid 107 through 121 Processing helix chain 'V' and resid 176 through 188 Processing helix chain 'V' and resid 238 through 241 No H-bonds generated for 'chain 'V' and resid 238 through 241' Processing helix chain 'V' and resid 245 through 270 removed outlier: 3.827A pdb=" N ASN V 253 " --> pdb=" O GLU V 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE V 254 " --> pdb=" O ALA V 251 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYS V 256 " --> pdb=" O ASN V 253 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU V 258 " --> pdb=" O ASN V 255 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N SER V 259 " --> pdb=" O LYS V 256 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LEU V 261 " --> pdb=" O LEU V 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE V 265 " --> pdb=" O GLY V 262 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU V 270 " --> pdb=" O ALA V 267 " (cutoff:3.500A) Processing helix chain 'V' and resid 277 through 279 No H-bonds generated for 'chain 'V' and resid 277 through 279' Processing helix chain 'V' and resid 281 through 291 removed outlier: 3.610A pdb=" N ILE V 285 " --> pdb=" O LYS V 281 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LEU V 286 " --> pdb=" O MET V 282 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN V 287 " --> pdb=" O THR V 283 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N ASP V 288 " --> pdb=" O ARG V 284 " (cutoff:3.500A) removed outlier: 5.201A pdb=" N SER V 289 " --> pdb=" O ILE V 285 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LEU V 290 " --> pdb=" O LEU V 286 " (cutoff:3.500A) Processing helix chain 'V' and resid 309 through 323 Processing helix chain 'E' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU E 22 " --> pdb=" O ASN E 18 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LEU E 23 " --> pdb=" O ALA E 19 " (cutoff:3.500A) Processing helix chain 'E' and resid 79 through 85 Processing helix chain 'E' and resid 115 through 118 No H-bonds generated for 'chain 'E' and resid 115 through 118' Processing helix chain 'E' and resid 121 through 133 removed outlier: 3.751A pdb=" N ASP E 126 " --> pdb=" O ASP E 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG E 127 " --> pdb=" O PRO E 123 " (cutoff:3.500A) Processing helix chain 'E' and resid 154 through 164 Processing helix chain 'E' and resid 189 through 203 removed outlier: 3.661A pdb=" N HIS E 198 " --> pdb=" O ILE E 194 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N THR E 199 " --> pdb=" O LEU E 195 " (cutoff:3.500A) removed outlier: 4.940A pdb=" N GLU E 202 " --> pdb=" O HIS E 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS E 203 " --> pdb=" O THR E 199 " (cutoff:3.500A) Processing helix chain 'E' and resid 212 through 221 Processing helix chain 'E' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG E 235 " --> pdb=" O THR E 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU E 236 " --> pdb=" O ASN E 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR E 245 " --> pdb=" O VAL E 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER E 247 " --> pdb=" O SER E 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU E 248 " --> pdb=" O ILE E 244 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ARG E 249 " --> pdb=" O THR E 245 " (cutoff:3.500A) Processing helix chain 'E' and resid 258 through 263 Processing helix chain 'E' and resid 284 through 289 removed outlier: 3.811A pdb=" N TYR E 288 " --> pdb=" O ALA E 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS E 289 " --> pdb=" O GLU E 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 284 through 289' Processing helix chain 'E' and resid 294 through 301 Processing helix chain 'E' and resid 304 through 306 No H-bonds generated for 'chain 'E' and resid 304 through 306' Processing helix chain 'E' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN E 335 " --> pdb=" O PRO E 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR E 343 " --> pdb=" O ALA E 339 " (cutoff:3.500A) Processing helix chain 'E' and resid 388 through 406 removed outlier: 3.601A pdb=" N ALA E 391 " --> pdb=" O THR E 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU E 392 " --> pdb=" O ALA E 389 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU E 397 " --> pdb=" O TRP E 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP E 398 " --> pdb=" O ALA E 395 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS E 400 " --> pdb=" O LEU E 397 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR E 405 " --> pdb=" O ASP E 402 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N ALA E 406 " --> pdb=" O LEU E 403 " (cutoff:3.500A) Processing helix chain 'E' and resid 412 through 417 Processing helix chain 'E' and resid 422 through 441 removed outlier: 3.503A pdb=" N MET E 431 " --> pdb=" O ALA E 427 " (cutoff:3.500A) Processing helix chain 'N' and resid 11 through 28 removed outlier: 3.532A pdb=" N GLU N 27 " --> pdb=" O VAL N 23 " (cutoff:3.500A) Processing helix chain 'N' and resid 55 through 57 No H-bonds generated for 'chain 'N' and resid 55 through 57' Processing helix chain 'N' and resid 70 through 77 Processing helix chain 'N' and resid 103 through 106 No H-bonds generated for 'chain 'N' and resid 103 through 106' Processing helix chain 'N' and resid 110 through 126 removed outlier: 4.060A pdb=" N ASP N 114 " --> pdb=" O ALA N 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER N 115 " --> pdb=" O GLU N 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP N 118 " --> pdb=" O ASP N 114 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VAL N 119 " --> pdb=" O SER N 115 " (cutoff:3.500A) Processing helix chain 'N' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE N 152 " --> pdb=" O GLY N 148 " (cutoff:3.500A) Processing helix chain 'N' and resid 181 through 192 removed outlier: 3.706A pdb=" N HIS N 190 " --> pdb=" O THR N 186 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N GLN N 191 " --> pdb=" O LEU N 187 " (cutoff:3.500A) Processing helix chain 'N' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS N 211 " --> pdb=" O LEU N 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG N 213 " --> pdb=" O ASP N 209 " (cutoff:3.500A) Processing helix chain 'N' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU N 228 " --> pdb=" O ASP N 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL N 229 " --> pdb=" O LEU N 225 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THR N 232 " --> pdb=" O LEU N 228 " (cutoff:3.500A) Processing helix chain 'N' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN N 256 " --> pdb=" O LYS N 252 " (cutoff:3.500A) Processing helix chain 'N' and resid 276 through 278 No H-bonds generated for 'chain 'N' and resid 276 through 278' Processing helix chain 'N' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN N 292 " --> pdb=" O GLU N 288 " (cutoff:3.500A) Processing helix chain 'N' and resid 305 through 307 No H-bonds generated for 'chain 'N' and resid 305 through 307' Processing helix chain 'N' and resid 323 through 335 removed outlier: 3.514A pdb=" N MET N 330 " --> pdb=" O VAL N 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN N 334 " --> pdb=" O MET N 330 " (cutoff:3.500A) Processing helix chain 'N' and resid 338 through 340 No H-bonds generated for 'chain 'N' and resid 338 through 340' Processing helix chain 'N' and resid 372 through 389 removed outlier: 3.504A pdb=" N GLN N 375 " --> pdb=" O THR N 372 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG N 380 " --> pdb=" O LEU N 377 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ILE N 381 " --> pdb=" O PHE N 378 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU N 383 " --> pdb=" O ARG N 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR N 386 " --> pdb=" O GLU N 383 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA N 387 " --> pdb=" O GLN N 384 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N PHE N 389 " --> pdb=" O THR N 386 " (cutoff:3.500A) Processing helix chain 'N' and resid 396 through 401 removed outlier: 4.211A pdb=" N GLU N 401 " --> pdb=" O TRP N 397 " (cutoff:3.500A) Processing helix chain 'N' and resid 405 through 424 Processing helix chain 'W' and resid 20 through 23 No H-bonds generated for 'chain 'W' and resid 20 through 23' Processing helix chain 'W' and resid 58 through 65 Processing helix chain 'W' and resid 67 through 75 removed outlier: 3.942A pdb=" N LYS W 71 " --> pdb=" O LYS W 67 " (cutoff:3.500A) Processing helix chain 'W' and resid 91 through 95 Processing helix chain 'W' and resid 107 through 121 Processing helix chain 'W' and resid 176 through 188 Processing helix chain 'W' and resid 238 through 241 No H-bonds generated for 'chain 'W' and resid 238 through 241' Processing helix chain 'W' and resid 245 through 270 removed outlier: 3.827A pdb=" N ASN W 253 " --> pdb=" O GLU W 250 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ILE W 254 " --> pdb=" O ALA W 251 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYS W 256 " --> pdb=" O ASN W 253 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU W 258 " --> pdb=" O ASN W 255 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N SER W 259 " --> pdb=" O LYS W 256 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LEU W 261 " --> pdb=" O LEU W 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE W 265 " --> pdb=" O GLY W 262 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU W 270 " --> pdb=" O ALA W 267 " (cutoff:3.500A) Processing helix chain 'W' and resid 277 through 279 No H-bonds generated for 'chain 'W' and resid 277 through 279' Processing helix chain 'W' and resid 281 through 285 removed outlier: 3.611A pdb=" N ILE W 285 " --> pdb=" O LYS W 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 281 through 285' Processing helix chain 'W' and resid 287 through 291 Processing helix chain 'W' and resid 309 through 323 Processing helix chain 'F' and resid 10 through 27 removed outlier: 3.850A pdb=" N GLU F 22 " --> pdb=" O ASN F 18 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LEU F 23 " --> pdb=" O ALA F 19 " (cutoff:3.500A) Processing helix chain 'F' and resid 79 through 85 Processing helix chain 'F' and resid 115 through 118 No H-bonds generated for 'chain 'F' and resid 115 through 118' Processing helix chain 'F' and resid 121 through 133 removed outlier: 3.752A pdb=" N ASP F 126 " --> pdb=" O ASP F 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG F 127 " --> pdb=" O PRO F 123 " (cutoff:3.500A) Processing helix chain 'F' and resid 154 through 164 Processing helix chain 'F' and resid 189 through 203 removed outlier: 3.662A pdb=" N HIS F 198 " --> pdb=" O ILE F 194 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N THR F 199 " --> pdb=" O LEU F 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU F 202 " --> pdb=" O HIS F 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS F 203 " --> pdb=" O THR F 199 " (cutoff:3.500A) Processing helix chain 'F' and resid 212 through 221 Processing helix chain 'F' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG F 235 " --> pdb=" O THR F 231 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU F 236 " --> pdb=" O ASN F 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR F 245 " --> pdb=" O VAL F 241 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N SER F 247 " --> pdb=" O SER F 243 " (cutoff:3.500A) removed outlier: 5.621A pdb=" N LEU F 248 " --> pdb=" O ILE F 244 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ARG F 249 " --> pdb=" O THR F 245 " (cutoff:3.500A) Processing helix chain 'F' and resid 258 through 263 Processing helix chain 'F' and resid 284 through 289 removed outlier: 3.812A pdb=" N TYR F 288 " --> pdb=" O ALA F 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS F 289 " --> pdb=" O GLU F 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 284 through 289' Processing helix chain 'F' and resid 294 through 301 Processing helix chain 'F' and resid 304 through 306 No H-bonds generated for 'chain 'F' and resid 304 through 306' Processing helix chain 'F' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN F 335 " --> pdb=" O PRO F 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR F 343 " --> pdb=" O ALA F 339 " (cutoff:3.500A) Processing helix chain 'F' and resid 388 through 406 removed outlier: 3.601A pdb=" N ALA F 391 " --> pdb=" O THR F 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU F 392 " --> pdb=" O ALA F 389 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LEU F 397 " --> pdb=" O TRP F 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP F 398 " --> pdb=" O ALA F 395 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LYS F 400 " --> pdb=" O LEU F 397 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR F 405 " --> pdb=" O ASP F 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA F 406 " --> pdb=" O LEU F 403 " (cutoff:3.500A) Processing helix chain 'F' and resid 412 through 417 Processing helix chain 'F' and resid 422 through 441 removed outlier: 3.502A pdb=" N MET F 431 " --> pdb=" O ALA F 427 " (cutoff:3.500A) Processing helix chain 'O' and resid 11 through 28 removed outlier: 3.533A pdb=" N GLU O 27 " --> pdb=" O VAL O 23 " (cutoff:3.500A) Processing helix chain 'O' and resid 55 through 57 No H-bonds generated for 'chain 'O' and resid 55 through 57' Processing helix chain 'O' and resid 70 through 77 Processing helix chain 'O' and resid 103 through 106 No H-bonds generated for 'chain 'O' and resid 103 through 106' Processing helix chain 'O' and resid 110 through 126 removed outlier: 4.059A pdb=" N ASP O 114 " --> pdb=" O ALA O 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER O 115 " --> pdb=" O GLU O 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP O 118 " --> pdb=" O ASP O 114 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VAL O 119 " --> pdb=" O SER O 115 " (cutoff:3.500A) Processing helix chain 'O' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE O 152 " --> pdb=" O GLY O 148 " (cutoff:3.500A) Processing helix chain 'O' and resid 181 through 192 removed outlier: 3.706A pdb=" N HIS O 190 " --> pdb=" O THR O 186 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N GLN O 191 " --> pdb=" O LEU O 187 " (cutoff:3.500A) Processing helix chain 'O' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS O 211 " --> pdb=" O LEU O 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG O 213 " --> pdb=" O ASP O 209 " (cutoff:3.500A) Processing helix chain 'O' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU O 228 " --> pdb=" O ASP O 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL O 229 " --> pdb=" O LEU O 225 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N THR O 232 " --> pdb=" O LEU O 228 " (cutoff:3.500A) Processing helix chain 'O' and resid 250 through 257 removed outlier: 3.917A pdb=" N ASN O 256 " --> pdb=" O LYS O 252 " (cutoff:3.500A) Processing helix chain 'O' and resid 276 through 278 No H-bonds generated for 'chain 'O' and resid 276 through 278' Processing helix chain 'O' and resid 286 through 293 removed outlier: 3.697A pdb=" N GLN O 292 " --> pdb=" O GLU O 288 " (cutoff:3.500A) Processing helix chain 'O' and resid 305 through 307 No H-bonds generated for 'chain 'O' and resid 305 through 307' Processing helix chain 'O' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET O 330 " --> pdb=" O VAL O 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN O 334 " --> pdb=" O MET O 330 " (cutoff:3.500A) Processing helix chain 'O' and resid 338 through 340 No H-bonds generated for 'chain 'O' and resid 338 through 340' Processing helix chain 'O' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN O 375 " --> pdb=" O THR O 372 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG O 380 " --> pdb=" O LEU O 377 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ILE O 381 " --> pdb=" O PHE O 378 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU O 383 " --> pdb=" O ARG O 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR O 386 " --> pdb=" O GLU O 383 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA O 387 " --> pdb=" O GLN O 384 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE O 389 " --> pdb=" O THR O 386 " (cutoff:3.500A) Processing helix chain 'O' and resid 396 through 401 removed outlier: 4.212A pdb=" N GLU O 401 " --> pdb=" O TRP O 397 " (cutoff:3.500A) Processing helix chain 'O' and resid 405 through 424 Processing helix chain 'X' and resid 20 through 23 No H-bonds generated for 'chain 'X' and resid 20 through 23' Processing helix chain 'X' and resid 58 through 65 Processing helix chain 'X' and resid 67 through 75 removed outlier: 3.942A pdb=" N LYS X 71 " --> pdb=" O LYS X 67 " (cutoff:3.500A) Processing helix chain 'X' and resid 91 through 95 Processing helix chain 'X' and resid 107 through 121 Processing helix chain 'X' and resid 176 through 188 Processing helix chain 'X' and resid 238 through 241 No H-bonds generated for 'chain 'X' and resid 238 through 241' Processing helix chain 'X' and resid 245 through 270 removed outlier: 3.826A pdb=" N ASN X 253 " --> pdb=" O GLU X 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE X 254 " --> pdb=" O ALA X 251 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYS X 256 " --> pdb=" O ASN X 253 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU X 258 " --> pdb=" O ASN X 255 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N SER X 259 " --> pdb=" O LYS X 256 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LEU X 261 " --> pdb=" O LEU X 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE X 265 " --> pdb=" O GLY X 262 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLU X 270 " --> pdb=" O ALA X 267 " (cutoff:3.500A) Processing helix chain 'X' and resid 277 through 279 No H-bonds generated for 'chain 'X' and resid 277 through 279' Processing helix chain 'X' and resid 281 through 285 removed outlier: 3.610A pdb=" N ILE X 285 " --> pdb=" O LYS X 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 281 through 285' Processing helix chain 'X' and resid 287 through 291 Processing helix chain 'X' and resid 309 through 323 Processing helix chain 'G' and resid 10 through 27 removed outlier: 3.848A pdb=" N GLU G 22 " --> pdb=" O ASN G 18 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LEU G 23 " --> pdb=" O ALA G 19 " (cutoff:3.500A) Processing helix chain 'G' and resid 79 through 85 Processing helix chain 'G' and resid 115 through 118 No H-bonds generated for 'chain 'G' and resid 115 through 118' Processing helix chain 'G' and resid 121 through 133 removed outlier: 3.752A pdb=" N ASP G 126 " --> pdb=" O ASP G 122 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG G 127 " --> pdb=" O PRO G 123 " (cutoff:3.500A) Processing helix chain 'G' and resid 154 through 164 Processing helix chain 'G' and resid 189 through 203 removed outlier: 3.661A pdb=" N HIS G 198 " --> pdb=" O ILE G 194 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N THR G 199 " --> pdb=" O LEU G 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU G 202 " --> pdb=" O HIS G 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS G 203 " --> pdb=" O THR G 199 " (cutoff:3.500A) Processing helix chain 'G' and resid 212 through 221 Processing helix chain 'G' and resid 230 through 249 removed outlier: 3.667A pdb=" N ARG G 235 " --> pdb=" O THR G 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU G 236 " --> pdb=" O ASN G 232 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR G 245 " --> pdb=" O VAL G 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER G 247 " --> pdb=" O SER G 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU G 248 " --> pdb=" O ILE G 244 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG G 249 " --> pdb=" O THR G 245 " (cutoff:3.500A) Processing helix chain 'G' and resid 258 through 263 Processing helix chain 'G' and resid 284 through 289 removed outlier: 3.811A pdb=" N TYR G 288 " --> pdb=" O ALA G 284 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N HIS G 289 " --> pdb=" O GLU G 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 284 through 289' Processing helix chain 'G' and resid 294 through 301 Processing helix chain 'G' and resid 304 through 306 No H-bonds generated for 'chain 'G' and resid 304 through 306' Processing helix chain 'G' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN G 335 " --> pdb=" O PRO G 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR G 343 " --> pdb=" O ALA G 339 " (cutoff:3.500A) Processing helix chain 'G' and resid 388 through 406 removed outlier: 3.601A pdb=" N ALA G 391 " --> pdb=" O THR G 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU G 392 " --> pdb=" O ALA G 389 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LEU G 397 " --> pdb=" O TRP G 394 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ASP G 398 " --> pdb=" O ALA G 395 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LYS G 400 " --> pdb=" O LEU G 397 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N TYR G 405 " --> pdb=" O ASP G 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA G 406 " --> pdb=" O LEU G 403 " (cutoff:3.500A) Processing helix chain 'G' and resid 412 through 417 Processing helix chain 'G' and resid 422 through 441 removed outlier: 3.502A pdb=" N MET G 431 " --> pdb=" O ALA G 427 " (cutoff:3.500A) Processing helix chain 'P' and resid 11 through 28 removed outlier: 3.531A pdb=" N GLU P 27 " --> pdb=" O VAL P 23 " (cutoff:3.500A) Processing helix chain 'P' and resid 55 through 57 No H-bonds generated for 'chain 'P' and resid 55 through 57' Processing helix chain 'P' and resid 70 through 77 Processing helix chain 'P' and resid 103 through 106 No H-bonds generated for 'chain 'P' and resid 103 through 106' Processing helix chain 'P' and resid 110 through 126 removed outlier: 4.060A pdb=" N ASP P 114 " --> pdb=" O ALA P 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER P 115 " --> pdb=" O GLU P 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP P 118 " --> pdb=" O ASP P 114 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N VAL P 119 " --> pdb=" O SER P 115 " (cutoff:3.500A) Processing helix chain 'P' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE P 152 " --> pdb=" O GLY P 148 " (cutoff:3.500A) Processing helix chain 'P' and resid 181 through 192 removed outlier: 3.706A pdb=" N HIS P 190 " --> pdb=" O THR P 186 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N GLN P 191 " --> pdb=" O LEU P 187 " (cutoff:3.500A) Processing helix chain 'P' and resid 204 through 213 removed outlier: 3.732A pdb=" N CYS P 211 " --> pdb=" O LEU P 207 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ARG P 213 " --> pdb=" O ASP P 209 " (cutoff:3.500A) Processing helix chain 'P' and resid 222 through 236 removed outlier: 3.696A pdb=" N LEU P 228 " --> pdb=" O ASP P 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL P 229 " --> pdb=" O LEU P 225 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N THR P 232 " --> pdb=" O LEU P 228 " (cutoff:3.500A) Processing helix chain 'P' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN P 256 " --> pdb=" O LYS P 252 " (cutoff:3.500A) Processing helix chain 'P' and resid 276 through 278 No H-bonds generated for 'chain 'P' and resid 276 through 278' Processing helix chain 'P' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN P 292 " --> pdb=" O GLU P 288 " (cutoff:3.500A) Processing helix chain 'P' and resid 305 through 307 No H-bonds generated for 'chain 'P' and resid 305 through 307' Processing helix chain 'P' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET P 330 " --> pdb=" O VAL P 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN P 334 " --> pdb=" O MET P 330 " (cutoff:3.500A) Processing helix chain 'P' and resid 338 through 340 No H-bonds generated for 'chain 'P' and resid 338 through 340' Processing helix chain 'P' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN P 375 " --> pdb=" O THR P 372 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ARG P 380 " --> pdb=" O LEU P 377 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ILE P 381 " --> pdb=" O PHE P 378 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU P 383 " --> pdb=" O ARG P 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR P 386 " --> pdb=" O GLU P 383 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA P 387 " --> pdb=" O GLN P 384 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE P 389 " --> pdb=" O THR P 386 " (cutoff:3.500A) Processing helix chain 'P' and resid 396 through 401 removed outlier: 4.212A pdb=" N GLU P 401 " --> pdb=" O TRP P 397 " (cutoff:3.500A) Processing helix chain 'P' and resid 405 through 424 Processing helix chain 'Z' and resid 20 through 23 No H-bonds generated for 'chain 'Z' and resid 20 through 23' Processing helix chain 'Z' and resid 58 through 65 Processing helix chain 'Z' and resid 67 through 75 removed outlier: 3.943A pdb=" N LYS Z 71 " --> pdb=" O LYS Z 67 " (cutoff:3.500A) Processing helix chain 'Z' and resid 91 through 95 Processing helix chain 'Z' and resid 107 through 121 Processing helix chain 'Z' and resid 176 through 188 Processing helix chain 'Z' and resid 238 through 241 No H-bonds generated for 'chain 'Z' and resid 238 through 241' Processing helix chain 'Z' and resid 245 through 270 removed outlier: 3.826A pdb=" N ASN Z 253 " --> pdb=" O GLU Z 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE Z 254 " --> pdb=" O ALA Z 251 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LYS Z 256 " --> pdb=" O ASN Z 253 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU Z 258 " --> pdb=" O ASN Z 255 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N SER Z 259 " --> pdb=" O LYS Z 256 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LEU Z 261 " --> pdb=" O LEU Z 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE Z 265 " --> pdb=" O GLY Z 262 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU Z 270 " --> pdb=" O ALA Z 267 " (cutoff:3.500A) Processing helix chain 'Z' and resid 277 through 279 No H-bonds generated for 'chain 'Z' and resid 277 through 279' Processing helix chain 'Z' and resid 281 through 285 removed outlier: 3.611A pdb=" N ILE Z 285 " --> pdb=" O LYS Z 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 281 through 285' Processing helix chain 'Z' and resid 287 through 291 Processing helix chain 'Z' and resid 309 through 323 Processing helix chain 'H' and resid 10 through 27 removed outlier: 3.849A pdb=" N GLU H 22 " --> pdb=" O ASN H 18 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LEU H 23 " --> pdb=" O ALA H 19 " (cutoff:3.500A) Processing helix chain 'H' and resid 79 through 85 Processing helix chain 'H' and resid 115 through 118 No H-bonds generated for 'chain 'H' and resid 115 through 118' Processing helix chain 'H' and resid 121 through 133 removed outlier: 3.751A pdb=" N ASP H 126 " --> pdb=" O ASP H 122 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ARG H 127 " --> pdb=" O PRO H 123 " (cutoff:3.500A) Processing helix chain 'H' and resid 154 through 164 Processing helix chain 'H' and resid 189 through 203 removed outlier: 3.661A pdb=" N HIS H 198 " --> pdb=" O ILE H 194 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N THR H 199 " --> pdb=" O LEU H 195 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N GLU H 202 " --> pdb=" O HIS H 198 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N HIS H 203 " --> pdb=" O THR H 199 " (cutoff:3.500A) Processing helix chain 'H' and resid 212 through 221 Processing helix chain 'H' and resid 230 through 249 removed outlier: 3.666A pdb=" N ARG H 235 " --> pdb=" O THR H 231 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU H 236 " --> pdb=" O ASN H 232 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N THR H 245 " --> pdb=" O VAL H 241 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N SER H 247 " --> pdb=" O SER H 243 " (cutoff:3.500A) removed outlier: 5.620A pdb=" N LEU H 248 " --> pdb=" O ILE H 244 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ARG H 249 " --> pdb=" O THR H 245 " (cutoff:3.500A) Processing helix chain 'H' and resid 258 through 263 Processing helix chain 'H' and resid 284 through 289 removed outlier: 3.811A pdb=" N TYR H 288 " --> pdb=" O ALA H 284 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N HIS H 289 " --> pdb=" O GLU H 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 284 through 289' Processing helix chain 'H' and resid 294 through 301 Processing helix chain 'H' and resid 304 through 306 No H-bonds generated for 'chain 'H' and resid 304 through 306' Processing helix chain 'H' and resid 331 through 343 removed outlier: 3.664A pdb=" N ASN H 335 " --> pdb=" O PRO H 331 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N THR H 343 " --> pdb=" O ALA H 339 " (cutoff:3.500A) Processing helix chain 'H' and resid 388 through 406 removed outlier: 3.601A pdb=" N ALA H 391 " --> pdb=" O THR H 388 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU H 392 " --> pdb=" O ALA H 389 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LEU H 397 " --> pdb=" O TRP H 394 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASP H 398 " --> pdb=" O ALA H 395 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N LYS H 400 " --> pdb=" O LEU H 397 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N TYR H 405 " --> pdb=" O ASP H 402 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ALA H 406 " --> pdb=" O LEU H 403 " (cutoff:3.500A) Processing helix chain 'H' and resid 412 through 417 Processing helix chain 'H' and resid 422 through 441 removed outlier: 3.502A pdb=" N MET H 431 " --> pdb=" O ALA H 427 " (cutoff:3.500A) Processing helix chain 'R' and resid 11 through 28 removed outlier: 3.532A pdb=" N GLU R 27 " --> pdb=" O VAL R 23 " (cutoff:3.500A) Processing helix chain 'R' and resid 55 through 57 No H-bonds generated for 'chain 'R' and resid 55 through 57' Processing helix chain 'R' and resid 70 through 77 Processing helix chain 'R' and resid 103 through 106 No H-bonds generated for 'chain 'R' and resid 103 through 106' Processing helix chain 'R' and resid 110 through 126 removed outlier: 4.059A pdb=" N ASP R 114 " --> pdb=" O ALA R 110 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N SER R 115 " --> pdb=" O GLU R 111 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N ASP R 118 " --> pdb=" O ASP R 114 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N VAL R 119 " --> pdb=" O SER R 115 " (cutoff:3.500A) Processing helix chain 'R' and resid 147 through 158 removed outlier: 3.558A pdb=" N ILE R 152 " --> pdb=" O GLY R 148 " (cutoff:3.500A) Processing helix chain 'R' and resid 181 through 192 removed outlier: 3.707A pdb=" N HIS R 190 " --> pdb=" O THR R 186 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N GLN R 191 " --> pdb=" O LEU R 187 " (cutoff:3.500A) Processing helix chain 'R' and resid 204 through 213 removed outlier: 3.731A pdb=" N CYS R 211 " --> pdb=" O LEU R 207 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ARG R 213 " --> pdb=" O ASP R 209 " (cutoff:3.500A) Processing helix chain 'R' and resid 222 through 236 removed outlier: 3.697A pdb=" N LEU R 228 " --> pdb=" O ASP R 224 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N VAL R 229 " --> pdb=" O LEU R 225 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N THR R 232 " --> pdb=" O LEU R 228 " (cutoff:3.500A) Processing helix chain 'R' and resid 250 through 257 removed outlier: 3.918A pdb=" N ASN R 256 " --> pdb=" O LYS R 252 " (cutoff:3.500A) Processing helix chain 'R' and resid 276 through 278 No H-bonds generated for 'chain 'R' and resid 276 through 278' Processing helix chain 'R' and resid 286 through 293 removed outlier: 3.698A pdb=" N GLN R 292 " --> pdb=" O GLU R 288 " (cutoff:3.500A) Processing helix chain 'R' and resid 305 through 307 No H-bonds generated for 'chain 'R' and resid 305 through 307' Processing helix chain 'R' and resid 323 through 335 removed outlier: 3.513A pdb=" N MET R 330 " --> pdb=" O VAL R 326 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N GLN R 334 " --> pdb=" O MET R 330 " (cutoff:3.500A) Processing helix chain 'R' and resid 338 through 340 No H-bonds generated for 'chain 'R' and resid 338 through 340' Processing helix chain 'R' and resid 372 through 389 removed outlier: 3.503A pdb=" N GLN R 375 " --> pdb=" O THR R 372 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG R 380 " --> pdb=" O LEU R 377 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ILE R 381 " --> pdb=" O PHE R 378 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU R 383 " --> pdb=" O ARG R 380 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N THR R 386 " --> pdb=" O GLU R 383 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ALA R 387 " --> pdb=" O GLN R 384 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N PHE R 389 " --> pdb=" O THR R 386 " (cutoff:3.500A) Processing helix chain 'R' and resid 396 through 401 removed outlier: 4.212A pdb=" N GLU R 401 " --> pdb=" O TRP R 397 " (cutoff:3.500A) Processing helix chain 'R' and resid 405 through 424 Processing helix chain 'a' and resid 20 through 23 No H-bonds generated for 'chain 'a' and resid 20 through 23' Processing helix chain 'a' and resid 58 through 65 Processing helix chain 'a' and resid 67 through 75 removed outlier: 3.942A pdb=" N LYS a 71 " --> pdb=" O LYS a 67 " (cutoff:3.500A) Processing helix chain 'a' and resid 91 through 95 Processing helix chain 'a' and resid 107 through 121 Processing helix chain 'a' and resid 176 through 188 Processing helix chain 'a' and resid 238 through 241 No H-bonds generated for 'chain 'a' and resid 238 through 241' Processing helix chain 'a' and resid 245 through 270 removed outlier: 3.826A pdb=" N ASN a 253 " --> pdb=" O GLU a 250 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ILE a 254 " --> pdb=" O ALA a 251 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N LYS a 256 " --> pdb=" O ASN a 253 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N LEU a 258 " --> pdb=" O ASN a 255 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N SER a 259 " --> pdb=" O LYS a 256 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LEU a 261 " --> pdb=" O LEU a 258 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ILE a 265 " --> pdb=" O GLY a 262 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLU a 270 " --> pdb=" O ALA a 267 " (cutoff:3.500A) Processing helix chain 'a' and resid 277 through 279 No H-bonds generated for 'chain 'a' and resid 277 through 279' Processing helix chain 'a' and resid 281 through 285 removed outlier: 3.610A pdb=" N ILE a 285 " --> pdb=" O LYS a 281 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 281 through 285' Processing helix chain 'a' and resid 287 through 291 Processing helix chain 'a' and resid 309 through 323 Processing sheet with id= A, first strand: chain 'I' and resid 71 through 74 removed outlier: 7.065A pdb=" N SER I 6 " --> pdb=" O VAL I 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL I 74 " --> pdb=" O SER I 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS I 8 " --> pdb=" O VAL I 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE I 5 " --> pdb=" O GLY I 140 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU I 142 " --> pdb=" O ILE I 5 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N VAL I 7 " --> pdb=" O LEU I 142 " (cutoff:3.500A) removed outlier: 6.086A pdb=" N SER I 171 " --> pdb=" O PHE I 141 " (cutoff:3.500A) removed outlier: 7.917A pdb=" N VAL I 143 " --> pdb=" O SER I 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU I 173 " --> pdb=" O VAL I 143 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N CYS I 206 " --> pdb=" O GLU I 174 " (cutoff:3.500A) removed outlier: 8.049A pdb=" N SER I 176 " --> pdb=" O CYS I 206 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N PHE I 208 " --> pdb=" O SER I 176 " (cutoff:3.500A) Processing sheet with id= B, first strand: chain 'I' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL I 68 " --> pdb=" O CYS I 60 " (cutoff:3.500A) Processing sheet with id= C, first strand: chain 'I' and resid 277 through 279 removed outlier: 3.510A pdb=" N MET I 383 " --> pdb=" O THR I 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA I 380 " --> pdb=" O ARG I 326 " (cutoff:3.500A) Processing sheet with id= D, first strand: chain 'Q' and resid 63 through 66 removed outlier: 8.582A pdb=" N ILE Q 64 " --> pdb=" O ILE Q 4 " (cutoff:3.500A) removed outlier: 7.081A pdb=" N HIS Q 6 " --> pdb=" O ILE Q 64 " (cutoff:3.500A) removed outlier: 7.912A pdb=" N VAL Q 66 " --> pdb=" O HIS Q 6 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLN Q 8 " --> pdb=" O VAL Q 66 " (cutoff:3.500A) removed outlier: 7.584A pdb=" N VAL Q 5 " --> pdb=" O GLN Q 131 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE Q 133 " --> pdb=" O VAL Q 5 " (cutoff:3.500A) removed outlier: 7.102A pdb=" N ILE Q 7 " --> pdb=" O PHE Q 133 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N LEU Q 135 " --> pdb=" O ILE Q 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA Q 9 " --> pdb=" O LEU Q 135 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N HIS Q 137 " --> pdb=" O ALA Q 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE Q 163 " --> pdb=" O PHE Q 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU Q 135 " --> pdb=" O ILE Q 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN Q 165 " --> pdb=" O LEU Q 135 " (cutoff:3.500A) removed outlier: 8.058A pdb=" N HIS Q 137 " --> pdb=" O ASN Q 165 " (cutoff:3.500A) removed outlier: 6.409A pdb=" N PHE Q 167 " --> pdb=" O HIS Q 137 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N GLU Q 198 " --> pdb=" O THR Q 166 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N SER Q 168 " --> pdb=" O GLU Q 198 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N TYR Q 200 " --> pdb=" O SER Q 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET Q 170 " --> pdb=" O TYR Q 200 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ILE Q 202 " --> pdb=" O MET Q 170 " (cutoff:3.500A) Processing sheet with id= E, first strand: chain 'Q' and resid 51 through 53 Processing sheet with id= F, first strand: chain 'Q' and resid 267 through 271 Processing sheet with id= G, first strand: chain 'Y' and resid 50 through 52 removed outlier: 4.038A pdb=" N ARG Y 50 " --> pdb=" O VAL Y 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN Y 78 " --> pdb=" O ARG Y 295 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N THR Y 297 " --> pdb=" O ASN Y 78 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N THR Y 80 " --> pdb=" O THR Y 297 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL Y 299 " --> pdb=" O THR Y 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE Y 82 " --> pdb=" O VAL Y 299 " (cutoff:3.500A) removed outlier: 7.507A pdb=" N CYS Y 301 " --> pdb=" O PHE Y 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA Y 83 " --> pdb=" O VAL Y 230 " (cutoff:3.500A) removed outlier: 4.212A pdb=" N HIS Y 205 " --> pdb=" O ILE Y 137 " (cutoff:3.500A) Processing sheet with id= H, first strand: chain 'Y' and resid 32 through 34 removed outlier: 3.941A pdb=" N THR Y 38 " --> pdb=" O GLN Y 34 " (cutoff:3.500A) Processing sheet with id= I, first strand: chain 'Y' and resid 154 through 157 removed outlier: 4.183A pdb=" N SER Y 154 " --> pdb=" O LYS Y 166 " (cutoff:3.500A) Processing sheet with id= J, first strand: chain 'A' and resid 71 through 74 removed outlier: 7.064A pdb=" N SER A 6 " --> pdb=" O VAL A 72 " (cutoff:3.500A) removed outlier: 7.571A pdb=" N VAL A 74 " --> pdb=" O SER A 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS A 8 " --> pdb=" O VAL A 74 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ILE A 5 " --> pdb=" O GLY A 140 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU A 142 " --> pdb=" O ILE A 5 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL A 7 " --> pdb=" O LEU A 142 " (cutoff:3.500A) removed outlier: 6.088A pdb=" N SER A 171 " --> pdb=" O PHE A 141 " (cutoff:3.500A) removed outlier: 7.917A pdb=" N VAL A 143 " --> pdb=" O SER A 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU A 173 " --> pdb=" O VAL A 143 " (cutoff:3.500A) removed outlier: 7.066A pdb=" N CYS A 206 " --> pdb=" O GLU A 174 " (cutoff:3.500A) removed outlier: 8.049A pdb=" N SER A 176 " --> pdb=" O CYS A 206 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N PHE A 208 " --> pdb=" O SER A 176 " (cutoff:3.500A) Processing sheet with id= K, first strand: chain 'A' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL A 68 " --> pdb=" O CYS A 60 " (cutoff:3.500A) Processing sheet with id= L, first strand: chain 'A' and resid 277 through 279 removed outlier: 3.508A pdb=" N MET A 383 " --> pdb=" O THR A 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA A 380 " --> pdb=" O ARG A 326 " (cutoff:3.500A) Processing sheet with id= M, first strand: chain 'J' and resid 63 through 66 removed outlier: 8.581A pdb=" N ILE J 64 " --> pdb=" O ILE J 4 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N HIS J 6 " --> pdb=" O ILE J 64 " (cutoff:3.500A) removed outlier: 7.912A pdb=" N VAL J 66 " --> pdb=" O HIS J 6 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLN J 8 " --> pdb=" O VAL J 66 " (cutoff:3.500A) removed outlier: 7.584A pdb=" N VAL J 5 " --> pdb=" O GLN J 131 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE J 133 " --> pdb=" O VAL J 5 " (cutoff:3.500A) removed outlier: 7.102A pdb=" N ILE J 7 " --> pdb=" O PHE J 133 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU J 135 " --> pdb=" O ILE J 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA J 9 " --> pdb=" O LEU J 135 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N HIS J 137 " --> pdb=" O ALA J 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE J 163 " --> pdb=" O PHE J 133 " (cutoff:3.500A) removed outlier: 7.916A pdb=" N LEU J 135 " --> pdb=" O ILE J 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN J 165 " --> pdb=" O LEU J 135 " (cutoff:3.500A) removed outlier: 8.059A pdb=" N HIS J 137 " --> pdb=" O ASN J 165 " (cutoff:3.500A) removed outlier: 6.408A pdb=" N PHE J 167 " --> pdb=" O HIS J 137 " (cutoff:3.500A) removed outlier: 6.911A pdb=" N GLU J 198 " --> pdb=" O THR J 166 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N SER J 168 " --> pdb=" O GLU J 198 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N TYR J 200 " --> pdb=" O SER J 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET J 170 " --> pdb=" O TYR J 200 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ILE J 202 " --> pdb=" O MET J 170 " (cutoff:3.500A) Processing sheet with id= N, first strand: chain 'J' and resid 51 through 53 Processing sheet with id= O, first strand: chain 'J' and resid 267 through 271 Processing sheet with id= P, first strand: chain 'S' and resid 50 through 52 removed outlier: 4.038A pdb=" N ARG S 50 " --> pdb=" O VAL S 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN S 78 " --> pdb=" O ARG S 295 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N THR S 297 " --> pdb=" O ASN S 78 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N THR S 80 " --> pdb=" O THR S 297 " (cutoff:3.500A) removed outlier: 7.914A pdb=" N VAL S 299 " --> pdb=" O THR S 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE S 82 " --> pdb=" O VAL S 299 " (cutoff:3.500A) removed outlier: 7.508A pdb=" N CYS S 301 " --> pdb=" O PHE S 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA S 83 " --> pdb=" O VAL S 230 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N HIS S 205 " --> pdb=" O ILE S 137 " (cutoff:3.500A) Processing sheet with id= Q, first strand: chain 'S' and resid 32 through 34 removed outlier: 3.940A pdb=" N THR S 38 " --> pdb=" O GLN S 34 " (cutoff:3.500A) Processing sheet with id= R, first strand: chain 'S' and resid 154 through 157 removed outlier: 4.183A pdb=" N SER S 154 " --> pdb=" O LYS S 166 " (cutoff:3.500A) Processing sheet with id= S, first strand: chain 'B' and resid 71 through 74 removed outlier: 7.063A pdb=" N SER B 6 " --> pdb=" O VAL B 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL B 74 " --> pdb=" O SER B 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS B 8 " --> pdb=" O VAL B 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE B 5 " --> pdb=" O GLY B 140 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU B 142 " --> pdb=" O ILE B 5 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL B 7 " --> pdb=" O LEU B 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER B 171 " --> pdb=" O PHE B 141 " (cutoff:3.500A) removed outlier: 7.917A pdb=" N VAL B 143 " --> pdb=" O SER B 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU B 173 " --> pdb=" O VAL B 143 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N CYS B 206 " --> pdb=" O GLU B 174 " (cutoff:3.500A) removed outlier: 8.049A pdb=" N SER B 176 " --> pdb=" O CYS B 206 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N PHE B 208 " --> pdb=" O SER B 176 " (cutoff:3.500A) Processing sheet with id= T, first strand: chain 'B' and resid 59 through 61 removed outlier: 3.854A pdb=" N VAL B 68 " --> pdb=" O CYS B 60 " (cutoff:3.500A) Processing sheet with id= U, first strand: chain 'B' and resid 277 through 279 removed outlier: 3.510A pdb=" N MET B 383 " --> pdb=" O THR B 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA B 380 " --> pdb=" O ARG B 326 " (cutoff:3.500A) Processing sheet with id= V, first strand: chain 'K' and resid 63 through 66 removed outlier: 8.582A pdb=" N ILE K 64 " --> pdb=" O ILE K 4 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N HIS K 6 " --> pdb=" O ILE K 64 " (cutoff:3.500A) removed outlier: 7.914A pdb=" N VAL K 66 " --> pdb=" O HIS K 6 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLN K 8 " --> pdb=" O VAL K 66 " (cutoff:3.500A) removed outlier: 7.585A pdb=" N VAL K 5 " --> pdb=" O GLN K 131 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE K 133 " --> pdb=" O VAL K 5 " (cutoff:3.500A) removed outlier: 7.101A pdb=" N ILE K 7 " --> pdb=" O PHE K 133 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU K 135 " --> pdb=" O ILE K 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA K 9 " --> pdb=" O LEU K 135 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N HIS K 137 " --> pdb=" O ALA K 9 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N ILE K 163 " --> pdb=" O PHE K 133 " (cutoff:3.500A) removed outlier: 7.916A pdb=" N LEU K 135 " --> pdb=" O ILE K 163 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N ASN K 165 " --> pdb=" O LEU K 135 " (cutoff:3.500A) removed outlier: 8.059A pdb=" N HIS K 137 " --> pdb=" O ASN K 165 " (cutoff:3.500A) removed outlier: 6.408A pdb=" N PHE K 167 " --> pdb=" O HIS K 137 " (cutoff:3.500A) removed outlier: 6.913A pdb=" N GLU K 198 " --> pdb=" O THR K 166 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N SER K 168 " --> pdb=" O GLU K 198 " (cutoff:3.500A) removed outlier: 5.497A pdb=" N TYR K 200 " --> pdb=" O SER K 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET K 170 " --> pdb=" O TYR K 200 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ILE K 202 " --> pdb=" O MET K 170 " (cutoff:3.500A) Processing sheet with id= W, first strand: chain 'K' and resid 51 through 53 Processing sheet with id= X, first strand: chain 'K' and resid 267 through 271 Processing sheet with id= Y, first strand: chain 'T' and resid 50 through 52 removed outlier: 4.038A pdb=" N ARG T 50 " --> pdb=" O VAL T 11 " (cutoff:3.500A) removed outlier: 7.153A pdb=" N ASN T 78 " --> pdb=" O ARG T 295 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N THR T 297 " --> pdb=" O ASN T 78 " (cutoff:3.500A) removed outlier: 7.045A pdb=" N THR T 80 " --> pdb=" O THR T 297 " (cutoff:3.500A) removed outlier: 7.914A pdb=" N VAL T 299 " --> pdb=" O THR T 80 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N PHE T 82 " --> pdb=" O VAL T 299 " (cutoff:3.500A) removed outlier: 7.508A pdb=" N CYS T 301 " --> pdb=" O PHE T 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA T 83 " --> pdb=" O VAL T 230 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N HIS T 205 " --> pdb=" O ILE T 137 " (cutoff:3.500A) Processing sheet with id= Z, first strand: chain 'T' and resid 32 through 34 removed outlier: 3.941A pdb=" N THR T 38 " --> pdb=" O GLN T 34 " (cutoff:3.500A) Processing sheet with id= AA, first strand: chain 'T' and resid 154 through 157 removed outlier: 4.183A pdb=" N SER T 154 " --> pdb=" O LYS T 166 " (cutoff:3.500A) Processing sheet with id= AB, first strand: chain 'C' and resid 71 through 74 removed outlier: 7.065A pdb=" N SER C 6 " --> pdb=" O VAL C 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL C 74 " --> pdb=" O SER C 6 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N HIS C 8 " --> pdb=" O VAL C 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE C 5 " --> pdb=" O GLY C 140 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU C 142 " --> pdb=" O ILE C 5 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL C 7 " --> pdb=" O LEU C 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER C 171 " --> pdb=" O PHE C 141 " (cutoff:3.500A) removed outlier: 7.918A pdb=" N VAL C 143 " --> pdb=" O SER C 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU C 173 " --> pdb=" O VAL C 143 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N CYS C 206 " --> pdb=" O GLU C 174 " (cutoff:3.500A) removed outlier: 8.049A pdb=" N SER C 176 " --> pdb=" O CYS C 206 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N PHE C 208 " --> pdb=" O SER C 176 " (cutoff:3.500A) Processing sheet with id= AC, first strand: chain 'C' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL C 68 " --> pdb=" O CYS C 60 " (cutoff:3.500A) Processing sheet with id= AD, first strand: chain 'C' and resid 277 through 279 removed outlier: 3.509A pdb=" N MET C 383 " --> pdb=" O THR C 277 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ALA C 380 " --> pdb=" O ARG C 326 " (cutoff:3.500A) Processing sheet with id= AE, first strand: chain 'L' and resid 63 through 66 removed outlier: 8.582A pdb=" N ILE L 64 " --> pdb=" O ILE L 4 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N HIS L 6 " --> pdb=" O ILE L 64 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL L 66 " --> pdb=" O HIS L 6 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLN L 8 " --> pdb=" O VAL L 66 " (cutoff:3.500A) removed outlier: 7.584A pdb=" N VAL L 5 " --> pdb=" O GLN L 131 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE L 133 " --> pdb=" O VAL L 5 " (cutoff:3.500A) removed outlier: 7.102A pdb=" N ILE L 7 " --> pdb=" O PHE L 133 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N LEU L 135 " --> pdb=" O ILE L 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA L 9 " --> pdb=" O LEU L 135 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N HIS L 137 " --> pdb=" O ALA L 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE L 163 " --> pdb=" O PHE L 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU L 135 " --> pdb=" O ILE L 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN L 165 " --> pdb=" O LEU L 135 " (cutoff:3.500A) removed outlier: 8.058A pdb=" N HIS L 137 " --> pdb=" O ASN L 165 " (cutoff:3.500A) removed outlier: 6.410A pdb=" N PHE L 167 " --> pdb=" O HIS L 137 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N GLU L 198 " --> pdb=" O THR L 166 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N SER L 168 " --> pdb=" O GLU L 198 " (cutoff:3.500A) removed outlier: 5.495A pdb=" N TYR L 200 " --> pdb=" O SER L 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET L 170 " --> pdb=" O TYR L 200 " (cutoff:3.500A) removed outlier: 6.249A pdb=" N ILE L 202 " --> pdb=" O MET L 170 " (cutoff:3.500A) Processing sheet with id= AF, first strand: chain 'L' and resid 51 through 53 Processing sheet with id= AG, first strand: chain 'L' and resid 267 through 271 Processing sheet with id= AH, first strand: chain 'U' and resid 50 through 52 removed outlier: 4.038A pdb=" N ARG U 50 " --> pdb=" O VAL U 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN U 78 " --> pdb=" O ARG U 295 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N THR U 297 " --> pdb=" O ASN U 78 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N THR U 80 " --> pdb=" O THR U 297 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL U 299 " --> pdb=" O THR U 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE U 82 " --> pdb=" O VAL U 299 " (cutoff:3.500A) removed outlier: 7.507A pdb=" N CYS U 301 " --> pdb=" O PHE U 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA U 83 " --> pdb=" O VAL U 230 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N HIS U 205 " --> pdb=" O ILE U 137 " (cutoff:3.500A) Processing sheet with id= AI, first strand: chain 'U' and resid 32 through 34 removed outlier: 3.941A pdb=" N THR U 38 " --> pdb=" O GLN U 34 " (cutoff:3.500A) Processing sheet with id= AJ, first strand: chain 'U' and resid 154 through 157 removed outlier: 4.183A pdb=" N SER U 154 " --> pdb=" O LYS U 166 " (cutoff:3.500A) Processing sheet with id= AK, first strand: chain 'D' and resid 71 through 74 removed outlier: 7.064A pdb=" N SER D 6 " --> pdb=" O VAL D 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL D 74 " --> pdb=" O SER D 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS D 8 " --> pdb=" O VAL D 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE D 5 " --> pdb=" O GLY D 140 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LEU D 142 " --> pdb=" O ILE D 5 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL D 7 " --> pdb=" O LEU D 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER D 171 " --> pdb=" O PHE D 141 " (cutoff:3.500A) removed outlier: 7.918A pdb=" N VAL D 143 " --> pdb=" O SER D 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU D 173 " --> pdb=" O VAL D 143 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N CYS D 206 " --> pdb=" O GLU D 174 " (cutoff:3.500A) removed outlier: 8.048A pdb=" N SER D 176 " --> pdb=" O CYS D 206 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N PHE D 208 " --> pdb=" O SER D 176 " (cutoff:3.500A) Processing sheet with id= AL, first strand: chain 'D' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL D 68 " --> pdb=" O CYS D 60 " (cutoff:3.500A) Processing sheet with id= AM, first strand: chain 'D' and resid 277 through 279 removed outlier: 3.508A pdb=" N MET D 383 " --> pdb=" O THR D 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA D 380 " --> pdb=" O ARG D 326 " (cutoff:3.500A) Processing sheet with id= AN, first strand: chain 'M' and resid 63 through 66 removed outlier: 8.581A pdb=" N ILE M 64 " --> pdb=" O ILE M 4 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N HIS M 6 " --> pdb=" O ILE M 64 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL M 66 " --> pdb=" O HIS M 6 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLN M 8 " --> pdb=" O VAL M 66 " (cutoff:3.500A) removed outlier: 7.585A pdb=" N VAL M 5 " --> pdb=" O GLN M 131 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N PHE M 133 " --> pdb=" O VAL M 5 " (cutoff:3.500A) removed outlier: 7.103A pdb=" N ILE M 7 " --> pdb=" O PHE M 133 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N LEU M 135 " --> pdb=" O ILE M 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA M 9 " --> pdb=" O LEU M 135 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N HIS M 137 " --> pdb=" O ALA M 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE M 163 " --> pdb=" O PHE M 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU M 135 " --> pdb=" O ILE M 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN M 165 " --> pdb=" O LEU M 135 " (cutoff:3.500A) removed outlier: 8.058A pdb=" N HIS M 137 " --> pdb=" O ASN M 165 " (cutoff:3.500A) removed outlier: 6.408A pdb=" N PHE M 167 " --> pdb=" O HIS M 137 " (cutoff:3.500A) removed outlier: 6.913A pdb=" N GLU M 198 " --> pdb=" O THR M 166 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N SER M 168 " --> pdb=" O GLU M 198 " (cutoff:3.500A) removed outlier: 5.495A pdb=" N TYR M 200 " --> pdb=" O SER M 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET M 170 " --> pdb=" O TYR M 200 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ILE M 202 " --> pdb=" O MET M 170 " (cutoff:3.500A) Processing sheet with id= AO, first strand: chain 'M' and resid 51 through 53 Processing sheet with id= AP, first strand: chain 'M' and resid 267 through 271 Processing sheet with id= AQ, first strand: chain 'V' and resid 50 through 52 removed outlier: 4.039A pdb=" N ARG V 50 " --> pdb=" O VAL V 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN V 78 " --> pdb=" O ARG V 295 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N THR V 297 " --> pdb=" O ASN V 78 " (cutoff:3.500A) removed outlier: 7.045A pdb=" N THR V 80 " --> pdb=" O THR V 297 " (cutoff:3.500A) removed outlier: 7.914A pdb=" N VAL V 299 " --> pdb=" O THR V 80 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N PHE V 82 " --> pdb=" O VAL V 299 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N CYS V 301 " --> pdb=" O PHE V 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA V 83 " --> pdb=" O VAL V 230 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N HIS V 205 " --> pdb=" O ILE V 137 " (cutoff:3.500A) Processing sheet with id= AR, first strand: chain 'V' and resid 32 through 34 removed outlier: 3.940A pdb=" N THR V 38 " --> pdb=" O GLN V 34 " (cutoff:3.500A) Processing sheet with id= AS, first strand: chain 'V' and resid 154 through 157 removed outlier: 4.184A pdb=" N SER V 154 " --> pdb=" O LYS V 166 " (cutoff:3.500A) Processing sheet with id= AT, first strand: chain 'E' and resid 71 through 74 removed outlier: 7.064A pdb=" N SER E 6 " --> pdb=" O VAL E 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL E 74 " --> pdb=" O SER E 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS E 8 " --> pdb=" O VAL E 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE E 5 " --> pdb=" O GLY E 140 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU E 142 " --> pdb=" O ILE E 5 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N VAL E 7 " --> pdb=" O LEU E 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER E 171 " --> pdb=" O PHE E 141 " (cutoff:3.500A) removed outlier: 7.918A pdb=" N VAL E 143 " --> pdb=" O SER E 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU E 173 " --> pdb=" O VAL E 143 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N CYS E 206 " --> pdb=" O GLU E 174 " (cutoff:3.500A) removed outlier: 8.050A pdb=" N SER E 176 " --> pdb=" O CYS E 206 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N PHE E 208 " --> pdb=" O SER E 176 " (cutoff:3.500A) Processing sheet with id= AU, first strand: chain 'E' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL E 68 " --> pdb=" O CYS E 60 " (cutoff:3.500A) Processing sheet with id= AV, first strand: chain 'E' and resid 277 through 279 removed outlier: 3.509A pdb=" N MET E 383 " --> pdb=" O THR E 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA E 380 " --> pdb=" O ARG E 326 " (cutoff:3.500A) Processing sheet with id= AW, first strand: chain 'N' and resid 63 through 66 removed outlier: 8.581A pdb=" N ILE N 64 " --> pdb=" O ILE N 4 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N HIS N 6 " --> pdb=" O ILE N 64 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL N 66 " --> pdb=" O HIS N 6 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLN N 8 " --> pdb=" O VAL N 66 " (cutoff:3.500A) removed outlier: 7.584A pdb=" N VAL N 5 " --> pdb=" O GLN N 131 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE N 133 " --> pdb=" O VAL N 5 " (cutoff:3.500A) removed outlier: 7.102A pdb=" N ILE N 7 " --> pdb=" O PHE N 133 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU N 135 " --> pdb=" O ILE N 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA N 9 " --> pdb=" O LEU N 135 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N HIS N 137 " --> pdb=" O ALA N 9 " (cutoff:3.500A) removed outlier: 6.963A pdb=" N ILE N 163 " --> pdb=" O PHE N 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU N 135 " --> pdb=" O ILE N 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN N 165 " --> pdb=" O LEU N 135 " (cutoff:3.500A) removed outlier: 8.059A pdb=" N HIS N 137 " --> pdb=" O ASN N 165 " (cutoff:3.500A) removed outlier: 6.409A pdb=" N PHE N 167 " --> pdb=" O HIS N 137 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N GLU N 198 " --> pdb=" O THR N 166 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N SER N 168 " --> pdb=" O GLU N 198 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N TYR N 200 " --> pdb=" O SER N 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET N 170 " --> pdb=" O TYR N 200 " (cutoff:3.500A) removed outlier: 6.249A pdb=" N ILE N 202 " --> pdb=" O MET N 170 " (cutoff:3.500A) Processing sheet with id= AX, first strand: chain 'N' and resid 51 through 53 Processing sheet with id= AY, first strand: chain 'N' and resid 267 through 271 Processing sheet with id= AZ, first strand: chain 'W' and resid 50 through 52 removed outlier: 4.039A pdb=" N ARG W 50 " --> pdb=" O VAL W 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN W 78 " --> pdb=" O ARG W 295 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N THR W 297 " --> pdb=" O ASN W 78 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N THR W 80 " --> pdb=" O THR W 297 " (cutoff:3.500A) removed outlier: 7.914A pdb=" N VAL W 299 " --> pdb=" O THR W 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE W 82 " --> pdb=" O VAL W 299 " (cutoff:3.500A) removed outlier: 7.508A pdb=" N CYS W 301 " --> pdb=" O PHE W 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA W 83 " --> pdb=" O VAL W 230 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N HIS W 205 " --> pdb=" O ILE W 137 " (cutoff:3.500A) Processing sheet with id= BA, first strand: chain 'W' and resid 32 through 34 removed outlier: 3.941A pdb=" N THR W 38 " --> pdb=" O GLN W 34 " (cutoff:3.500A) Processing sheet with id= BB, first strand: chain 'W' and resid 154 through 157 removed outlier: 4.183A pdb=" N SER W 154 " --> pdb=" O LYS W 166 " (cutoff:3.500A) Processing sheet with id= BC, first strand: chain 'F' and resid 71 through 74 removed outlier: 7.064A pdb=" N SER F 6 " --> pdb=" O VAL F 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL F 74 " --> pdb=" O SER F 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS F 8 " --> pdb=" O VAL F 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE F 5 " --> pdb=" O GLY F 140 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LEU F 142 " --> pdb=" O ILE F 5 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N VAL F 7 " --> pdb=" O LEU F 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER F 171 " --> pdb=" O PHE F 141 " (cutoff:3.500A) removed outlier: 7.918A pdb=" N VAL F 143 " --> pdb=" O SER F 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU F 173 " --> pdb=" O VAL F 143 " (cutoff:3.500A) removed outlier: 7.066A pdb=" N CYS F 206 " --> pdb=" O GLU F 174 " (cutoff:3.500A) removed outlier: 8.048A pdb=" N SER F 176 " --> pdb=" O CYS F 206 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N PHE F 208 " --> pdb=" O SER F 176 " (cutoff:3.500A) Processing sheet with id= BD, first strand: chain 'F' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL F 68 " --> pdb=" O CYS F 60 " (cutoff:3.500A) Processing sheet with id= BE, first strand: chain 'F' and resid 277 through 279 removed outlier: 3.510A pdb=" N MET F 383 " --> pdb=" O THR F 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA F 380 " --> pdb=" O ARG F 326 " (cutoff:3.500A) Processing sheet with id= BF, first strand: chain 'O' and resid 63 through 66 removed outlier: 8.582A pdb=" N ILE O 64 " --> pdb=" O ILE O 4 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N HIS O 6 " --> pdb=" O ILE O 64 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL O 66 " --> pdb=" O HIS O 6 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLN O 8 " --> pdb=" O VAL O 66 " (cutoff:3.500A) removed outlier: 7.584A pdb=" N VAL O 5 " --> pdb=" O GLN O 131 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N PHE O 133 " --> pdb=" O VAL O 5 " (cutoff:3.500A) removed outlier: 7.102A pdb=" N ILE O 7 " --> pdb=" O PHE O 133 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU O 135 " --> pdb=" O ILE O 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA O 9 " --> pdb=" O LEU O 135 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N HIS O 137 " --> pdb=" O ALA O 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE O 163 " --> pdb=" O PHE O 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU O 135 " --> pdb=" O ILE O 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN O 165 " --> pdb=" O LEU O 135 " (cutoff:3.500A) removed outlier: 8.058A pdb=" N HIS O 137 " --> pdb=" O ASN O 165 " (cutoff:3.500A) removed outlier: 6.409A pdb=" N PHE O 167 " --> pdb=" O HIS O 137 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N GLU O 198 " --> pdb=" O THR O 166 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N SER O 168 " --> pdb=" O GLU O 198 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N TYR O 200 " --> pdb=" O SER O 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET O 170 " --> pdb=" O TYR O 200 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ILE O 202 " --> pdb=" O MET O 170 " (cutoff:3.500A) Processing sheet with id= BG, first strand: chain 'O' and resid 51 through 53 Processing sheet with id= BH, first strand: chain 'O' and resid 267 through 271 Processing sheet with id= BI, first strand: chain 'X' and resid 50 through 52 removed outlier: 4.039A pdb=" N ARG X 50 " --> pdb=" O VAL X 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN X 78 " --> pdb=" O ARG X 295 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N THR X 297 " --> pdb=" O ASN X 78 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N THR X 80 " --> pdb=" O THR X 297 " (cutoff:3.500A) removed outlier: 7.914A pdb=" N VAL X 299 " --> pdb=" O THR X 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE X 82 " --> pdb=" O VAL X 299 " (cutoff:3.500A) removed outlier: 7.508A pdb=" N CYS X 301 " --> pdb=" O PHE X 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA X 83 " --> pdb=" O VAL X 230 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N HIS X 205 " --> pdb=" O ILE X 137 " (cutoff:3.500A) Processing sheet with id= BJ, first strand: chain 'X' and resid 32 through 34 removed outlier: 3.941A pdb=" N THR X 38 " --> pdb=" O GLN X 34 " (cutoff:3.500A) Processing sheet with id= BK, first strand: chain 'X' and resid 154 through 157 removed outlier: 4.184A pdb=" N SER X 154 " --> pdb=" O LYS X 166 " (cutoff:3.500A) Processing sheet with id= BL, first strand: chain 'G' and resid 71 through 74 removed outlier: 7.064A pdb=" N SER G 6 " --> pdb=" O VAL G 72 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N VAL G 74 " --> pdb=" O SER G 6 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N HIS G 8 " --> pdb=" O VAL G 74 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N ILE G 5 " --> pdb=" O GLY G 140 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LEU G 142 " --> pdb=" O ILE G 5 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N VAL G 7 " --> pdb=" O LEU G 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER G 171 " --> pdb=" O PHE G 141 " (cutoff:3.500A) removed outlier: 7.917A pdb=" N VAL G 143 " --> pdb=" O SER G 171 " (cutoff:3.500A) removed outlier: 6.609A pdb=" N LEU G 173 " --> pdb=" O VAL G 143 " (cutoff:3.500A) removed outlier: 7.066A pdb=" N CYS G 206 " --> pdb=" O GLU G 174 " (cutoff:3.500A) removed outlier: 8.049A pdb=" N SER G 176 " --> pdb=" O CYS G 206 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N PHE G 208 " --> pdb=" O SER G 176 " (cutoff:3.500A) Processing sheet with id= BM, first strand: chain 'G' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL G 68 " --> pdb=" O CYS G 60 " (cutoff:3.500A) Processing sheet with id= BN, first strand: chain 'G' and resid 277 through 279 removed outlier: 3.509A pdb=" N MET G 383 " --> pdb=" O THR G 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA G 380 " --> pdb=" O ARG G 326 " (cutoff:3.500A) Processing sheet with id= BO, first strand: chain 'P' and resid 63 through 66 removed outlier: 8.582A pdb=" N ILE P 64 " --> pdb=" O ILE P 4 " (cutoff:3.500A) removed outlier: 7.080A pdb=" N HIS P 6 " --> pdb=" O ILE P 64 " (cutoff:3.500A) removed outlier: 7.912A pdb=" N VAL P 66 " --> pdb=" O HIS P 6 " (cutoff:3.500A) removed outlier: 5.997A pdb=" N GLN P 8 " --> pdb=" O VAL P 66 " (cutoff:3.500A) removed outlier: 7.583A pdb=" N VAL P 5 " --> pdb=" O GLN P 131 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE P 133 " --> pdb=" O VAL P 5 " (cutoff:3.500A) removed outlier: 7.101A pdb=" N ILE P 7 " --> pdb=" O PHE P 133 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU P 135 " --> pdb=" O ILE P 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA P 9 " --> pdb=" O LEU P 135 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N HIS P 137 " --> pdb=" O ALA P 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE P 163 " --> pdb=" O PHE P 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU P 135 " --> pdb=" O ILE P 163 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N ASN P 165 " --> pdb=" O LEU P 135 " (cutoff:3.500A) removed outlier: 8.058A pdb=" N HIS P 137 " --> pdb=" O ASN P 165 " (cutoff:3.500A) removed outlier: 6.409A pdb=" N PHE P 167 " --> pdb=" O HIS P 137 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N GLU P 198 " --> pdb=" O THR P 166 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N SER P 168 " --> pdb=" O GLU P 198 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N TYR P 200 " --> pdb=" O SER P 168 " (cutoff:3.500A) removed outlier: 6.524A pdb=" N MET P 170 " --> pdb=" O TYR P 200 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ILE P 202 " --> pdb=" O MET P 170 " (cutoff:3.500A) Processing sheet with id= BP, first strand: chain 'P' and resid 51 through 53 Processing sheet with id= BQ, first strand: chain 'P' and resid 267 through 271 Processing sheet with id= BR, first strand: chain 'Z' and resid 50 through 52 removed outlier: 4.039A pdb=" N ARG Z 50 " --> pdb=" O VAL Z 11 " (cutoff:3.500A) removed outlier: 7.154A pdb=" N ASN Z 78 " --> pdb=" O ARG Z 295 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N THR Z 297 " --> pdb=" O ASN Z 78 " (cutoff:3.500A) removed outlier: 7.045A pdb=" N THR Z 80 " --> pdb=" O THR Z 297 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL Z 299 " --> pdb=" O THR Z 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE Z 82 " --> pdb=" O VAL Z 299 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N CYS Z 301 " --> pdb=" O PHE Z 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA Z 83 " --> pdb=" O VAL Z 230 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N HIS Z 205 " --> pdb=" O ILE Z 137 " (cutoff:3.500A) Processing sheet with id= BS, first strand: chain 'Z' and resid 32 through 34 removed outlier: 3.941A pdb=" N THR Z 38 " --> pdb=" O GLN Z 34 " (cutoff:3.500A) Processing sheet with id= BT, first strand: chain 'Z' and resid 154 through 157 removed outlier: 4.184A pdb=" N SER Z 154 " --> pdb=" O LYS Z 166 " (cutoff:3.500A) Processing sheet with id= BU, first strand: chain 'H' and resid 71 through 74 removed outlier: 7.065A pdb=" N SER H 6 " --> pdb=" O VAL H 72 " (cutoff:3.500A) removed outlier: 7.572A pdb=" N VAL H 74 " --> pdb=" O SER H 6 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N HIS H 8 " --> pdb=" O VAL H 74 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N ILE H 5 " --> pdb=" O GLY H 140 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU H 142 " --> pdb=" O ILE H 5 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N VAL H 7 " --> pdb=" O LEU H 142 " (cutoff:3.500A) removed outlier: 6.087A pdb=" N SER H 171 " --> pdb=" O PHE H 141 " (cutoff:3.500A) removed outlier: 7.917A pdb=" N VAL H 143 " --> pdb=" O SER H 171 " (cutoff:3.500A) removed outlier: 6.610A pdb=" N LEU H 173 " --> pdb=" O VAL H 143 " (cutoff:3.500A) removed outlier: 7.067A pdb=" N CYS H 206 " --> pdb=" O GLU H 174 " (cutoff:3.500A) removed outlier: 8.048A pdb=" N SER H 176 " --> pdb=" O CYS H 206 " (cutoff:3.500A) removed outlier: 6.600A pdb=" N PHE H 208 " --> pdb=" O SER H 176 " (cutoff:3.500A) Processing sheet with id= BV, first strand: chain 'H' and resid 59 through 61 removed outlier: 3.855A pdb=" N VAL H 68 " --> pdb=" O CYS H 60 " (cutoff:3.500A) Processing sheet with id= BW, first strand: chain 'H' and resid 277 through 279 removed outlier: 3.509A pdb=" N MET H 383 " --> pdb=" O THR H 277 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ALA H 380 " --> pdb=" O ARG H 326 " (cutoff:3.500A) Processing sheet with id= BX, first strand: chain 'R' and resid 63 through 66 removed outlier: 8.582A pdb=" N ILE R 64 " --> pdb=" O ILE R 4 " (cutoff:3.500A) removed outlier: 7.079A pdb=" N HIS R 6 " --> pdb=" O ILE R 64 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL R 66 " --> pdb=" O HIS R 6 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N GLN R 8 " --> pdb=" O VAL R 66 " (cutoff:3.500A) removed outlier: 7.585A pdb=" N VAL R 5 " --> pdb=" O GLN R 131 " (cutoff:3.500A) removed outlier: 4.567A pdb=" N PHE R 133 " --> pdb=" O VAL R 5 " (cutoff:3.500A) removed outlier: 7.102A pdb=" N ILE R 7 " --> pdb=" O PHE R 133 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU R 135 " --> pdb=" O ILE R 7 " (cutoff:3.500A) removed outlier: 7.181A pdb=" N ALA R 9 " --> pdb=" O LEU R 135 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N HIS R 137 " --> pdb=" O ALA R 9 " (cutoff:3.500A) removed outlier: 6.962A pdb=" N ILE R 163 " --> pdb=" O PHE R 133 " (cutoff:3.500A) removed outlier: 7.915A pdb=" N LEU R 135 " --> pdb=" O ILE R 163 " (cutoff:3.500A) removed outlier: 6.781A pdb=" N ASN R 165 " --> pdb=" O LEU R 135 " (cutoff:3.500A) removed outlier: 8.058A pdb=" N HIS R 137 " --> pdb=" O ASN R 165 " (cutoff:3.500A) removed outlier: 6.409A pdb=" N PHE R 167 " --> pdb=" O HIS R 137 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N GLU R 198 " --> pdb=" O THR R 166 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N SER R 168 " --> pdb=" O GLU R 198 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N TYR R 200 " --> pdb=" O SER R 168 " (cutoff:3.500A) removed outlier: 6.523A pdb=" N MET R 170 " --> pdb=" O TYR R 200 " (cutoff:3.500A) removed outlier: 6.249A pdb=" N ILE R 202 " --> pdb=" O MET R 170 " (cutoff:3.500A) Processing sheet with id= BY, first strand: chain 'R' and resid 51 through 53 Processing sheet with id= BZ, first strand: chain 'R' and resid 267 through 271 Processing sheet with id= CA, first strand: chain 'a' and resid 50 through 52 removed outlier: 4.038A pdb=" N ARG a 50 " --> pdb=" O VAL a 11 " (cutoff:3.500A) removed outlier: 7.155A pdb=" N ASN a 78 " --> pdb=" O ARG a 295 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N THR a 297 " --> pdb=" O ASN a 78 " (cutoff:3.500A) removed outlier: 7.044A pdb=" N THR a 80 " --> pdb=" O THR a 297 " (cutoff:3.500A) removed outlier: 7.913A pdb=" N VAL a 299 " --> pdb=" O THR a 80 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N PHE a 82 " --> pdb=" O VAL a 299 " (cutoff:3.500A) removed outlier: 7.508A pdb=" N CYS a 301 " --> pdb=" O PHE a 82 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N ALA a 83 " --> pdb=" O VAL a 230 " (cutoff:3.500A) removed outlier: 4.213A pdb=" N HIS a 205 " --> pdb=" O ILE a 137 " (cutoff:3.500A) Processing sheet with id= CB, first strand: chain 'a' and resid 32 through 34 removed outlier: 3.940A pdb=" N THR a 38 " --> pdb=" O GLN a 34 " (cutoff:3.500A) Processing sheet with id= CC, first strand: chain 'a' and resid 154 through 157 removed outlier: 4.184A pdb=" N SER a 154 " --> pdb=" O LYS a 166 " (cutoff:3.500A) 2835 hydrogen bonds defined for protein. 7425 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 36.87 Time building geometry restraints manager: 30.71 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.36: 28296 1.36 - 1.49: 21551 1.49 - 1.63: 35077 1.63 - 1.76: 27 1.76 - 1.90: 918 Bond restraints: 85869 Sorted by residual: bond pdb=" C1' G2P L 502 " pdb=" C2' G2P L 502 " ideal model delta sigma weight residual 1.537 1.269 0.268 2.00e-02 2.50e+03 1.79e+02 bond pdb=" C1' G2P K 502 " pdb=" C2' G2P K 502 " ideal model delta sigma weight residual 1.537 1.269 0.268 2.00e-02 2.50e+03 1.79e+02 bond pdb=" C1' G2P R 502 " pdb=" C2' G2P R 502 " ideal model delta sigma weight residual 1.537 1.269 0.268 2.00e-02 2.50e+03 1.79e+02 bond pdb=" C1' G2P N 502 " pdb=" C2' G2P N 502 " ideal model delta sigma weight residual 1.537 1.269 0.268 2.00e-02 2.50e+03 1.79e+02 bond pdb=" C1' G2P O 502 " pdb=" C2' G2P O 502 " ideal model delta sigma weight residual 1.537 1.270 0.267 2.00e-02 2.50e+03 1.78e+02 ... (remaining 85864 not shown) Histogram of bond angle deviations from ideal: 100.40 - 107.59: 3441 107.59 - 114.78: 48895 114.78 - 121.97: 45020 121.97 - 129.16: 18281 129.16 - 136.35: 805 Bond angle restraints: 116442 Sorted by residual: angle pdb=" PB ATP X 401 " pdb=" O3B ATP X 401 " pdb=" PG ATP X 401 " ideal model delta sigma weight residual 139.87 121.96 17.91 1.00e+00 1.00e+00 3.21e+02 angle pdb=" PB ATP T 401 " pdb=" O3B ATP T 401 " pdb=" PG ATP T 401 " ideal model delta sigma weight residual 139.87 121.97 17.90 1.00e+00 1.00e+00 3.20e+02 angle pdb=" PB ATP a 401 " pdb=" O3B ATP a 401 " pdb=" PG ATP a 401 " ideal model delta sigma weight residual 139.87 121.98 17.89 1.00e+00 1.00e+00 3.20e+02 angle pdb=" PB ATP W 401 " pdb=" O3B ATP W 401 " pdb=" PG ATP W 401 " ideal model delta sigma weight residual 139.87 121.98 17.89 1.00e+00 1.00e+00 3.20e+02 angle pdb=" PB ATP V 401 " pdb=" O3B ATP V 401 " pdb=" PG ATP V 401 " ideal model delta sigma weight residual 139.87 121.99 17.88 1.00e+00 1.00e+00 3.20e+02 ... (remaining 116437 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 29.82: 50177 29.82 - 59.63: 1375 59.63 - 89.45: 261 89.45 - 119.27: 9 119.27 - 149.08: 9 Dihedral angle restraints: 51831 sinusoidal: 21123 harmonic: 30708 Sorted by residual: dihedral pdb=" C5' GTP R 501 " pdb=" O5' GTP R 501 " pdb=" PA GTP R 501 " pdb=" O3A GTP R 501 " ideal model delta sinusoidal sigma weight residual 69.27 -79.82 149.08 1 2.00e+01 2.50e-03 4.46e+01 dihedral pdb=" C5' GTP P 501 " pdb=" O5' GTP P 501 " pdb=" PA GTP P 501 " pdb=" O3A GTP P 501 " ideal model delta sinusoidal sigma weight residual 69.27 -79.81 149.08 1 2.00e+01 2.50e-03 4.46e+01 dihedral pdb=" C5' GTP N 501 " pdb=" O5' GTP N 501 " pdb=" PA GTP N 501 " pdb=" O3A GTP N 501 " ideal model delta sinusoidal sigma weight residual 69.27 -79.80 149.07 1 2.00e+01 2.50e-03 4.46e+01 ... (remaining 51828 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.050: 10131 0.050 - 0.101: 2033 0.101 - 0.151: 569 0.151 - 0.202: 38 0.202 - 0.252: 9 Chirality restraints: 12780 Sorted by residual: chirality pdb=" C3' G2P M 502 " pdb=" C2' G2P M 502 " pdb=" C4' G2P M 502 " pdb=" O3' G2P M 502 " both_signs ideal model delta sigma weight residual False -2.71 -2.45 -0.25 2.00e-01 2.50e+01 1.59e+00 chirality pdb=" C3' G2P P 502 " pdb=" C2' G2P P 502 " pdb=" C4' G2P P 502 " pdb=" O3' G2P P 502 " both_signs ideal model delta sigma weight residual False -2.71 -2.46 -0.25 2.00e-01 2.50e+01 1.57e+00 chirality pdb=" C3' G2P K 502 " pdb=" C2' G2P K 502 " pdb=" C4' G2P K 502 " pdb=" O3' G2P K 502 " both_signs ideal model delta sigma weight residual False -2.71 -2.46 -0.25 2.00e-01 2.50e+01 1.56e+00 ... (remaining 12777 not shown) Planarity restraints: 15093 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ASP H 122 " -0.042 5.00e-02 4.00e+02 6.38e-02 6.51e+00 pdb=" N PRO H 123 " 0.110 5.00e-02 4.00e+02 pdb=" CA PRO H 123 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO H 123 " -0.036 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP B 122 " -0.042 5.00e-02 4.00e+02 6.38e-02 6.51e+00 pdb=" N PRO B 123 " 0.110 5.00e-02 4.00e+02 pdb=" CA PRO B 123 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO B 123 " -0.036 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP D 122 " -0.042 5.00e-02 4.00e+02 6.37e-02 6.50e+00 pdb=" N PRO D 123 " 0.110 5.00e-02 4.00e+02 pdb=" CA PRO D 123 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO D 123 " -0.036 5.00e-02 4.00e+02 ... (remaining 15090 not shown) Histogram of nonbonded interaction distances: 2.12 - 2.67: 1789 2.67 - 3.23: 83838 3.23 - 3.79: 132284 3.79 - 4.34: 190735 4.34 - 4.90: 301331 Nonbonded interactions: 709977 Sorted by model distance: nonbonded pdb=" OD1 ASP F 257 " pdb=" OG1 THR F 259 " model vdw 2.115 2.440 nonbonded pdb=" OD1 ASP C 257 " pdb=" OG1 THR C 259 " model vdw 2.116 2.440 nonbonded pdb=" OD1 ASP B 257 " pdb=" OG1 THR B 259 " model vdw 2.116 2.440 nonbonded pdb=" OD1 ASP I 257 " pdb=" OG1 THR I 259 " model vdw 2.116 2.440 nonbonded pdb=" OD1 ASP G 257 " pdb=" OG1 THR G 259 " model vdw 2.116 2.440 ... (remaining 709972 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' } ncs_group { reference = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' } ncs_group { reference = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 11.270 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.110 Extract box with map and model: 28.350 Check model and map are aligned: 0.950 Set scattering table: 0.610 Process input model: 180.840 Find NCS groups from input model: 4.840 Set up NCS constraints: 0.960 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.620 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 230.570 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6420 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.008 0.268 85869 Z= 0.506 Angle : 0.878 17.911 116442 Z= 0.501 Chirality : 0.046 0.252 12780 Planarity : 0.004 0.064 15093 Dihedral : 14.160 149.085 32121 Min Nonbonded Distance : 2.115 Molprobity Statistics. All-atom Clashscore : 3.57 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.08 % Favored : 97.92 % Rotamer: Outliers : 2.75 % Allowed : 5.98 % Favored : 91.27 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.05 (0.06), residues: 10530 helix: -3.24 (0.04), residues: 3960 sheet: -2.12 (0.11), residues: 1773 loop : -2.26 (0.08), residues: 4797 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP H 21 HIS 0.003 0.001 HIS I 113 PHE 0.015 0.001 PHE D 55 TYR 0.010 0.001 TYR A 216 ARG 0.004 0.001 ARG Q 241 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3946 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 252 poor density : 3694 time to evaluate : 6.872 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 16 MET cc_start: 0.7857 (mtm) cc_final: 0.6977 (mtm) REVERT: I 22 GLU cc_start: 0.7455 (pt0) cc_final: 0.7227 (pt0) REVERT: I 23 LEU cc_start: 0.8432 (tp) cc_final: 0.8149 (tp) REVERT: I 57 THR cc_start: 0.7255 (p) cc_final: 0.7018 (t) REVERT: I 61 GLU cc_start: 0.6026 (tm-30) cc_final: 0.5703 (tm-30) REVERT: I 69 PRO cc_start: 0.8586 (Cg_exo) cc_final: 0.8347 (Cg_endo) REVERT: I 72 VAL cc_start: 0.6164 (OUTLIER) cc_final: 0.4741 (m) REVERT: I 73 PHE cc_start: 0.8079 (m-10) cc_final: 0.7718 (m-10) REVERT: I 76 LEU cc_start: 0.7461 (mt) cc_final: 0.7186 (mp) REVERT: I 96 GLU cc_start: 0.7211 (tt0) cc_final: 0.6873 (tt0) REVERT: I 127 ARG cc_start: 0.7423 (tpt-90) cc_final: 0.7199 (tpp-160) REVERT: I 155 PHE cc_start: 0.7478 (t80) cc_final: 0.6761 (t80) REVERT: I 159 LEU cc_start: 0.8082 (pp) cc_final: 0.7867 (pp) REVERT: I 160 MET cc_start: 0.7984 (tmm) cc_final: 0.7224 (tmm) REVERT: I 161 GLU cc_start: 0.8421 (tt0) cc_final: 0.7707 (tm-30) REVERT: I 203 HIS cc_start: 0.7875 (m170) cc_final: 0.6810 (m170) REVERT: I 205 ASP cc_start: 0.7979 (m-30) cc_final: 0.7773 (m-30) REVERT: I 215 ILE cc_start: 0.8620 (tt) cc_final: 0.8357 (tt) REVERT: I 216 TYR cc_start: 0.7747 (m-80) cc_final: 0.7205 (m-80) REVERT: I 223 LEU cc_start: 0.7017 (tp) cc_final: 0.6575 (tp) REVERT: I 235 ARG cc_start: 0.7421 (mtt-85) cc_final: 0.7183 (mtt-85) REVERT: I 263 THR cc_start: 0.8646 (p) cc_final: 0.8238 (t) REVERT: I 282 ILE cc_start: 0.7653 (tp) cc_final: 0.6926 (tp) REVERT: I 290 GLU cc_start: 0.6769 (tm-30) cc_final: 0.6035 (tm-30) REVERT: I 312 ASP cc_start: 0.7025 (t0) cc_final: 0.6573 (t70) REVERT: I 319 MET cc_start: 0.6918 (mmm) cc_final: 0.5578 (mmm) REVERT: I 321 CYS cc_start: 0.7625 (t) cc_final: 0.7401 (t) REVERT: I 332 LYS cc_start: 0.7692 (ttpt) cc_final: 0.7170 (ptmt) REVERT: I 342 LYS cc_start: 0.8660 (mttt) cc_final: 0.8081 (mmmm) REVERT: I 344 LYS cc_start: 0.7631 (ttmm) cc_final: 0.7291 (ttmm) REVERT: I 357 PHE cc_start: 0.6952 (m-80) cc_final: 0.6436 (m-80) REVERT: I 358 LYS cc_start: 0.7063 (tptt) cc_final: 0.6409 (tptt) REVERT: I 363 TYR cc_start: 0.7118 (m-80) cc_final: 0.6670 (m-10) REVERT: I 376 LYS cc_start: 0.8385 (tmtt) cc_final: 0.7613 (tptt) REVERT: I 379 ARG cc_start: 0.8231 (ptp90) cc_final: 0.7552 (mtm180) REVERT: I 386 ASN cc_start: 0.7070 (t0) cc_final: 0.6599 (t0) REVERT: I 397 LEU cc_start: 0.8827 (mt) cc_final: 0.8540 (mt) REVERT: I 400 LYS cc_start: 0.8170 (ptpt) cc_final: 0.7552 (pttm) REVERT: I 407 LYS cc_start: 0.8455 (mmmt) cc_final: 0.8117 (mmmm) REVERT: I 437 ASP cc_start: 0.7396 (m-30) cc_final: 0.6818 (m-30) REVERT: I 438 TYR cc_start: 0.8029 (m-80) cc_final: 0.7557 (m-80) REVERT: I 441 VAL cc_start: 0.8870 (p) cc_final: 0.8457 (p) REVERT: Q 15 GLN cc_start: 0.8501 (mm110) cc_final: 0.8060 (mm-40) REVERT: Q 21 TRP cc_start: 0.8315 (m100) cc_final: 0.7832 (m100) REVERT: Q 58 LYS cc_start: 0.7501 (tttt) cc_final: 0.7220 (tttt) REVERT: Q 59 TYR cc_start: 0.7475 (m-80) cc_final: 0.7191 (m-80) REVERT: Q 62 ARG cc_start: 0.7320 (ttp-110) cc_final: 0.6590 (ttm110) REVERT: Q 66 VAL cc_start: 0.7520 (m) cc_final: 0.7192 (p) REVERT: Q 67 ASP cc_start: 0.7483 (t70) cc_final: 0.6044 (t70) REVERT: Q 73 MET cc_start: 0.8669 (mmt) cc_final: 0.7961 (mmt) REVERT: Q 86 ARG cc_start: 0.7838 (ttm-80) cc_final: 0.7209 (ttm-80) REVERT: Q 117 LEU cc_start: 0.8010 (mp) cc_final: 0.7539 (mp) REVERT: Q 121 ARG cc_start: 0.7930 (mtt180) cc_final: 0.7458 (mtt-85) REVERT: Q 123 GLU cc_start: 0.8409 (mm-30) cc_final: 0.7825 (mm-30) REVERT: Q 147 MET cc_start: 0.6965 (tmm) cc_final: 0.6566 (tmm) REVERT: Q 158 GLU cc_start: 0.7640 (tt0) cc_final: 0.7295 (tt0) REVERT: Q 164 MET cc_start: 0.7379 (mtp) cc_final: 0.6383 (mtp) REVERT: Q 165 ASN cc_start: 0.7587 (t0) cc_final: 0.6654 (t0) REVERT: Q 170 MET cc_start: 0.7246 (ptp) cc_final: 0.6733 (ptp) REVERT: Q 180 VAL cc_start: 0.6922 (OUTLIER) cc_final: 0.5917 (t) REVERT: Q 181 GLU cc_start: 0.7003 (mt-10) cc_final: 0.6462 (mt-10) REVERT: Q 195 ASN cc_start: 0.7837 (m-40) cc_final: 0.6887 (m-40) REVERT: Q 198 GLU cc_start: 0.6790 (OUTLIER) cc_final: 0.6230 (pt0) REVERT: Q 209 ASP cc_start: 0.6847 (t70) cc_final: 0.6524 (t70) REVERT: Q 215 LEU cc_start: 0.8386 (tp) cc_final: 0.8134 (tp) REVERT: Q 222 TYR cc_start: 0.7713 (m-80) cc_final: 0.7370 (m-80) REVERT: Q 240 LEU cc_start: 0.7844 (pt) cc_final: 0.7559 (pp) REVERT: Q 257 MET cc_start: 0.7314 (mmm) cc_final: 0.6771 (mmm) REVERT: Q 262 ARG cc_start: 0.7740 (mtp85) cc_final: 0.7034 (mtp180) REVERT: Q 264 HIS cc_start: 0.7677 (p-80) cc_final: 0.7241 (p-80) REVERT: Q 270 PHE cc_start: 0.7196 (t80) cc_final: 0.6824 (t80) REVERT: Q 274 THR cc_start: 0.7590 (m) cc_final: 0.7213 (t) REVERT: Q 292 GLN cc_start: 0.7988 (tt0) cc_final: 0.7715 (tt0) REVERT: Q 297 LYS cc_start: 0.8054 (mmmt) cc_final: 0.7499 (mmmt) REVERT: Q 320 ARG cc_start: 0.6988 (mmm160) cc_final: 0.6132 (mmm160) REVERT: Q 321 MET cc_start: 0.8182 (ptp) cc_final: 0.6731 (ptp) REVERT: Q 324 LYS cc_start: 0.7951 (ttpt) cc_final: 0.7662 (ttpt) REVERT: Q 329 GLN cc_start: 0.7792 (mm-40) cc_final: 0.7274 (mt0) REVERT: Q 330 MET cc_start: 0.8408 (mmp) cc_final: 0.7795 (mmp) REVERT: Q 331 LEU cc_start: 0.8778 (tp) cc_final: 0.8474 (tp) REVERT: Q 336 LYS cc_start: 0.7987 (mtmm) cc_final: 0.7641 (mtpt) REVERT: Q 337 ASN cc_start: 0.7214 (m-40) cc_final: 0.6441 (t0) REVERT: Q 350 LYS cc_start: 0.7470 (tptp) cc_final: 0.6935 (tptp) REVERT: Q 354 CYS cc_start: 0.7879 (t) cc_final: 0.7233 (p) REVERT: Q 362 LYS cc_start: 0.7249 (mmmt) cc_final: 0.6841 (mmmt) REVERT: Q 363 MET cc_start: 0.7844 (mmm) cc_final: 0.7111 (mmm) REVERT: Q 367 PHE cc_start: 0.8091 (t80) cc_final: 0.7280 (t80) REVERT: Q 375 GLN cc_start: 0.7654 (pt0) cc_final: 0.7392 (pt0) REVERT: Q 383 GLU cc_start: 0.8099 (mm-30) cc_final: 0.7808 (mm-30) REVERT: Q 391 ARG cc_start: 0.7243 (ttt180) cc_final: 0.6931 (ttt180) REVERT: Q 392 LYS cc_start: 0.7856 (mtmm) cc_final: 0.7502 (mtmm) REVERT: Q 407 GLU cc_start: 0.7716 (mt-10) cc_final: 0.6648 (mt-10) REVERT: Q 409 THR cc_start: 0.8237 (m) cc_final: 0.7822 (p) REVERT: Q 414 ASN cc_start: 0.8476 (m-40) cc_final: 0.8263 (m-40) REVERT: Q 415 MET cc_start: 0.7630 (tpt) cc_final: 0.7266 (tpt) REVERT: Q 421 GLU cc_start: 0.7830 (tt0) cc_final: 0.7498 (tt0) REVERT: Y 93 HIS cc_start: 0.7497 (t-90) cc_final: 0.6613 (t-90) REVERT: Y 101 ASP cc_start: 0.5781 (t70) cc_final: 0.5355 (t70) REVERT: Y 103 GLU cc_start: 0.7840 (tp30) cc_final: 0.7536 (tp30) REVERT: Y 162 VAL cc_start: 0.7145 (t) cc_final: 0.6785 (t) REVERT: Y 178 GLU cc_start: 0.8004 (mt-10) cc_final: 0.7633 (mt-10) REVERT: Y 180 MET cc_start: 0.7642 (mmt) cc_final: 0.7393 (mpp) REVERT: Y 220 GLU cc_start: 0.5585 (mm-30) cc_final: 0.5208 (mm-30) REVERT: Y 297 THR cc_start: 0.7099 (m) cc_final: 0.6409 (m) REVERT: Y 308 ASN cc_start: 0.8358 (m-40) cc_final: 0.7957 (m-40) REVERT: A 16 MET cc_start: 0.7873 (mtm) cc_final: 0.7136 (mtm) REVERT: A 22 GLU cc_start: 0.7185 (pt0) cc_final: 0.6795 (pt0) REVERT: A 23 LEU cc_start: 0.8275 (tp) cc_final: 0.7934 (tp) REVERT: A 24 TYR cc_start: 0.7704 (m-80) cc_final: 0.6894 (m-80) REVERT: A 31 GLN cc_start: 0.8040 (mt0) cc_final: 0.7707 (mt0) REVERT: A 75 ASP cc_start: 0.6361 (t0) cc_final: 0.6084 (t0) REVERT: A 93 PHE cc_start: 0.6813 (m-80) cc_final: 0.6314 (m-80) REVERT: A 96 GLU cc_start: 0.7341 (tt0) cc_final: 0.6639 (tt0) REVERT: A 120 ILE cc_start: 0.8315 (tp) cc_final: 0.7981 (tp) REVERT: A 160 MET cc_start: 0.7836 (tmm) cc_final: 0.7098 (tmm) REVERT: A 161 GLU cc_start: 0.8326 (tt0) cc_final: 0.7862 (tt0) REVERT: A 172 LYS cc_start: 0.6963 (mtmm) cc_final: 0.6551 (ptpt) REVERT: A 174 GLU cc_start: 0.7275 (OUTLIER) cc_final: 0.6336 (mp0) REVERT: A 198 HIS cc_start: 0.6998 (t-90) cc_final: 0.6722 (t-170) REVERT: A 203 HIS cc_start: 0.7978 (m170) cc_final: 0.6932 (m170) REVERT: A 215 ILE cc_start: 0.8706 (tt) cc_final: 0.8438 (tp) REVERT: A 216 TYR cc_start: 0.7422 (m-80) cc_final: 0.6355 (m-80) REVERT: A 232 ASN cc_start: 0.8224 (m-40) cc_final: 0.8023 (m-40) REVERT: A 257 ASP cc_start: 0.7203 (p0) cc_final: 0.6953 (p0) REVERT: A 262 GLN cc_start: 0.7015 (OUTLIER) cc_final: 0.6634 (mp-120) REVERT: A 272 HIS cc_start: 0.7555 (p90) cc_final: 0.7229 (p90) REVERT: A 309 VAL cc_start: 0.8144 (p) cc_final: 0.7938 (m) REVERT: A 317 LYS cc_start: 0.7294 (mttm) cc_final: 0.6916 (mmtm) REVERT: A 324 LEU cc_start: 0.7549 (mp) cc_final: 0.7322 (mp) REVERT: A 342 LYS cc_start: 0.8247 (mttt) cc_final: 0.7798 (mttt) REVERT: A 344 LYS cc_start: 0.7946 (ttmm) cc_final: 0.7544 (mtpp) REVERT: A 347 ILE cc_start: 0.6644 (pt) cc_final: 0.6056 (pt) REVERT: A 358 LYS cc_start: 0.7933 (tptt) cc_final: 0.7729 (mmtt) REVERT: A 363 TYR cc_start: 0.7540 (m-80) cc_final: 0.7242 (m-10) REVERT: A 379 ARG cc_start: 0.7891 (ptp90) cc_final: 0.7603 (mtm180) REVERT: A 396 ARG cc_start: 0.7995 (ttp-110) cc_final: 0.7646 (ttp-110) REVERT: A 397 LEU cc_start: 0.9026 (mt) cc_final: 0.8763 (mt) REVERT: A 400 LYS cc_start: 0.8250 (ptpt) cc_final: 0.7550 (ptpt) REVERT: A 401 PHE cc_start: 0.8145 (t80) cc_final: 0.7285 (t80) REVERT: A 404 MET cc_start: 0.7996 (mtm) cc_final: 0.7277 (mtm) REVERT: A 407 LYS cc_start: 0.8207 (mmmt) cc_final: 0.6950 (mmmt) REVERT: A 430 ASP cc_start: 0.8120 (t0) cc_final: 0.7828 (t0) REVERT: J 3 GLU cc_start: 0.7323 (mp0) cc_final: 0.5960 (mp0) REVERT: J 20 PHE cc_start: 0.8664 (t80) cc_final: 0.8223 (t80) REVERT: J 57 ASN cc_start: 0.7684 (m-40) cc_final: 0.7377 (m-40) REVERT: J 73 MET cc_start: 0.8638 (mmt) cc_final: 0.8334 (mmt) REVERT: J 74 ASP cc_start: 0.7986 (m-30) cc_final: 0.7772 (m-30) REVERT: J 100 ASN cc_start: 0.8531 (t0) cc_final: 0.8175 (t0) REVERT: J 121 ARG cc_start: 0.8546 (mtt180) cc_final: 0.7943 (mtm-85) REVERT: J 123 GLU cc_start: 0.7764 (mm-30) cc_final: 0.7140 (mm-30) REVERT: J 136 THR cc_start: 0.6709 (p) cc_final: 0.6398 (p) REVERT: J 147 MET cc_start: 0.6728 (tmm) cc_final: 0.6342 (tmm) REVERT: J 154 LYS cc_start: 0.8153 (mmmt) cc_final: 0.7518 (mmmt) REVERT: J 159 TYR cc_start: 0.8197 (m-80) cc_final: 0.7543 (m-80) REVERT: J 164 MET cc_start: 0.6443 (mtp) cc_final: 0.6012 (mtp) REVERT: J 165 ASN cc_start: 0.7582 (t0) cc_final: 0.6880 (t0) REVERT: J 181 GLU cc_start: 0.6758 (mt-10) cc_final: 0.6143 (mt-10) REVERT: J 195 ASN cc_start: 0.7525 (m-40) cc_final: 0.6649 (m-40) REVERT: J 202 ILE cc_start: 0.6948 (mt) cc_final: 0.6266 (mt) REVERT: J 205 GLU cc_start: 0.6782 (pt0) cc_final: 0.6545 (pt0) REVERT: J 208 TYR cc_start: 0.7399 (m-80) cc_final: 0.7052 (m-80) REVERT: J 215 LEU cc_start: 0.7803 (tp) cc_final: 0.7555 (tp) REVERT: J 233 MET cc_start: 0.8854 (mtp) cc_final: 0.8493 (mtp) REVERT: J 237 THR cc_start: 0.7667 (t) cc_final: 0.7436 (p) REVERT: J 257 MET cc_start: 0.6998 (mmm) cc_final: 0.6404 (mmm) REVERT: J 267 MET cc_start: 0.6676 (ttp) cc_final: 0.6261 (ttp) REVERT: J 281 TYR cc_start: 0.7626 (m-80) cc_final: 0.7104 (m-80) REVERT: J 292 GLN cc_start: 0.8236 (tt0) cc_final: 0.7990 (tt0) REVERT: J 297 LYS cc_start: 0.7926 (mmmt) cc_final: 0.7495 (mmmt) REVERT: J 323 MET cc_start: 0.7826 (mmp) cc_final: 0.6746 (mmp) REVERT: J 324 LYS cc_start: 0.8121 (ttpt) cc_final: 0.6306 (ttpt) REVERT: J 327 ASP cc_start: 0.8430 (m-30) cc_final: 0.8171 (p0) REVERT: J 344 TRP cc_start: 0.7076 (p-90) cc_final: 0.6497 (p-90) REVERT: J 354 CYS cc_start: 0.7343 (t) cc_final: 0.7038 (p) REVERT: J 367 PHE cc_start: 0.7957 (t80) cc_final: 0.7239 (t80) REVERT: J 372 THR cc_start: 0.8066 (p) cc_final: 0.7616 (t) REVERT: J 379 LYS cc_start: 0.8027 (mptt) cc_final: 0.7406 (mptt) REVERT: J 391 ARG cc_start: 0.6831 (ttt180) cc_final: 0.6430 (ttt180) REVERT: J 398 TYR cc_start: 0.7455 (m-80) cc_final: 0.7125 (m-80) REVERT: J 404 ASP cc_start: 0.8255 (t0) cc_final: 0.8030 (t0) REVERT: J 407 GLU cc_start: 0.8259 (mt-10) cc_final: 0.6480 (mt-10) REVERT: J 413 SER cc_start: 0.7352 (p) cc_final: 0.7009 (p) REVERT: J 415 MET cc_start: 0.7785 (tpt) cc_final: 0.7407 (tpt) REVERT: S 32 LYS cc_start: 0.7745 (tttt) cc_final: 0.7413 (tptp) REVERT: S 36 GLU cc_start: 0.7705 (mt-10) cc_final: 0.7314 (mt-10) REVERT: S 82 PHE cc_start: 0.7697 (p90) cc_final: 0.7056 (p90) REVERT: S 103 GLU cc_start: 0.8040 (tp30) cc_final: 0.7262 (tp30) REVERT: S 114 ASP cc_start: 0.7420 (t0) cc_final: 0.6989 (p0) REVERT: S 176 PRO cc_start: 0.6056 (Cg_endo) cc_final: 0.5727 (Cg_exo) REVERT: S 178 GLU cc_start: 0.7771 (mt-10) cc_final: 0.7330 (mt-10) REVERT: S 282 MET cc_start: 0.8296 (tpt) cc_final: 0.7950 (tpt) REVERT: S 299 VAL cc_start: 0.6668 (OUTLIER) cc_final: 0.6226 (p) REVERT: S 307 TYR cc_start: 0.6677 (t80) cc_final: 0.6395 (t80) REVERT: S 311 GLU cc_start: 0.8168 (pm20) cc_final: 0.7788 (pm20) REVERT: B 11 GLN cc_start: 0.6164 (tp-100) cc_final: 0.4880 (tm-30) REVERT: B 15 GLN cc_start: 0.8425 (mm-40) cc_final: 0.7393 (mm-40) REVERT: B 16 MET cc_start: 0.8321 (mtm) cc_final: 0.7489 (mtm) REVERT: B 21 TRP cc_start: 0.8218 (m100) cc_final: 0.7917 (m100) REVERT: B 23 LEU cc_start: 0.8346 (tp) cc_final: 0.8089 (tp) REVERT: B 24 TYR cc_start: 0.7913 (m-80) cc_final: 0.6952 (m-80) REVERT: B 31 GLN cc_start: 0.8209 (mt0) cc_final: 0.7653 (mt0) REVERT: B 96 GLU cc_start: 0.6876 (tt0) cc_final: 0.6366 (tt0) REVERT: B 108 ASN cc_start: 0.7004 (t0) cc_final: 0.6175 (t0) REVERT: B 160 MET cc_start: 0.8078 (tmm) cc_final: 0.7654 (tmm) REVERT: B 172 LYS cc_start: 0.8287 (mtmm) cc_final: 0.7736 (ptmt) REVERT: B 188 VAL cc_start: 0.7981 (m) cc_final: 0.7702 (m) REVERT: B 189 GLU cc_start: 0.7441 (pm20) cc_final: 0.6919 (pm20) REVERT: B 205 ASP cc_start: 0.7361 (m-30) cc_final: 0.6902 (m-30) REVERT: B 230 TYR cc_start: 0.7827 (m-10) cc_final: 0.7518 (m-80) REVERT: B 231 THR cc_start: 0.8470 (m) cc_final: 0.7006 (t) REVERT: B 232 ASN cc_start: 0.8364 (m-40) cc_final: 0.7091 (m-40) REVERT: B 235 ARG cc_start: 0.7146 (mtt-85) cc_final: 0.6668 (mtt-85) REVERT: B 268 TYR cc_start: 0.8872 (m-80) cc_final: 0.8259 (m-80) REVERT: B 277 THR cc_start: 0.7491 (t) cc_final: 0.7023 (p) REVERT: B 282 ILE cc_start: 0.7397 (tp) cc_final: 0.6888 (tp) REVERT: B 318 TYR cc_start: 0.7636 (m-10) cc_final: 0.7195 (m-10) REVERT: B 319 MET cc_start: 0.7365 (mmm) cc_final: 0.6028 (mmm) REVERT: B 324 LEU cc_start: 0.8198 (mp) cc_final: 0.7996 (mp) REVERT: B 328 ASP cc_start: 0.6850 (p0) cc_final: 0.6447 (p0) REVERT: B 329 VAL cc_start: 0.8824 (t) cc_final: 0.8585 (p) REVERT: B 344 LYS cc_start: 0.6554 (ttmm) cc_final: 0.6291 (ttmm) REVERT: B 348 GLN cc_start: 0.7532 (pt0) cc_final: 0.7081 (pt0) REVERT: B 358 LYS cc_start: 0.7167 (tptt) cc_final: 0.6761 (tppt) REVERT: B 379 ARG cc_start: 0.8116 (ptp90) cc_final: 0.7832 (mtm110) REVERT: B 382 CYS cc_start: 0.6931 (p) cc_final: 0.6674 (p) REVERT: B 383 MET cc_start: 0.7701 (ttm) cc_final: 0.6793 (tmm) REVERT: B 401 PHE cc_start: 0.8161 (t80) cc_final: 0.7814 (t80) REVERT: B 404 MET cc_start: 0.8074 (mtm) cc_final: 0.7617 (mtm) REVERT: B 410 PHE cc_start: 0.7859 (m-80) cc_final: 0.7309 (m-10) REVERT: B 412 HIS cc_start: 0.7029 (p90) cc_final: 0.6476 (p90) REVERT: B 423 GLU cc_start: 0.8113 (pm20) cc_final: 0.7721 (pm20) REVERT: B 426 GLU cc_start: 0.8647 (mm-30) cc_final: 0.8210 (mm-30) REVERT: B 437 ASP cc_start: 0.7268 (m-30) cc_final: 0.6727 (m-30) REVERT: B 440 GLU cc_start: 0.7234 (mt-10) cc_final: 0.6852 (mt-10) REVERT: K 11 GLN cc_start: 0.7472 (tt0) cc_final: 0.7185 (tm-30) REVERT: K 21 TRP cc_start: 0.8120 (m100) cc_final: 0.7279 (m100) REVERT: K 26 ASP cc_start: 0.8030 (m-30) cc_final: 0.7647 (m-30) REVERT: K 27 GLU cc_start: 0.8121 (mt-10) cc_final: 0.7469 (mt-10) REVERT: K 73 MET cc_start: 0.8086 (mmt) cc_final: 0.7506 (mmt) REVERT: K 112 LEU cc_start: 0.8613 (tp) cc_final: 0.8412 (tp) REVERT: K 133 PHE cc_start: 0.6797 (m-80) cc_final: 0.6307 (m-80) REVERT: K 136 THR cc_start: 0.7014 (p) cc_final: 0.6693 (t) REVERT: K 147 MET cc_start: 0.6788 (tmm) cc_final: 0.6222 (tmm) REVERT: K 150 LEU cc_start: 0.7902 (tp) cc_final: 0.7635 (tp) REVERT: K 154 LYS cc_start: 0.7888 (mmmt) cc_final: 0.7469 (mmmt) REVERT: K 164 MET cc_start: 0.6610 (mtp) cc_final: 0.5554 (mtp) REVERT: K 165 ASN cc_start: 0.7320 (t0) cc_final: 0.6322 (t0) REVERT: K 169 VAL cc_start: 0.7950 (m) cc_final: 0.6740 (p) REVERT: K 183 TYR cc_start: 0.7600 (m-10) cc_final: 0.7338 (m-10) REVERT: K 187 LEU cc_start: 0.8233 (mt) cc_final: 0.7974 (mt) REVERT: K 194 GLU cc_start: 0.7806 (mm-30) cc_final: 0.7408 (mm-30) REVERT: K 195 ASN cc_start: 0.8236 (m-40) cc_final: 0.6974 (m-40) REVERT: K 198 GLU cc_start: 0.7300 (OUTLIER) cc_final: 0.6880 (pt0) REVERT: K 207 LEU cc_start: 0.8843 (mt) cc_final: 0.8463 (mt) REVERT: K 209 ASP cc_start: 0.6530 (t70) cc_final: 0.6266 (t70) REVERT: K 233 MET cc_start: 0.8914 (mtp) cc_final: 0.8278 (mtp) REVERT: K 247 ASN cc_start: 0.7725 (m110) cc_final: 0.7330 (m110) REVERT: K 262 ARG cc_start: 0.7031 (mtp85) cc_final: 0.6283 (mtp85) REVERT: K 274 THR cc_start: 0.7719 (m) cc_final: 0.7453 (t) REVERT: K 281 TYR cc_start: 0.7359 (m-80) cc_final: 0.7060 (m-80) REVERT: K 323 MET cc_start: 0.8312 (mmp) cc_final: 0.8002 (mmp) REVERT: K 326 VAL cc_start: 0.8536 (t) cc_final: 0.7749 (t) REVERT: K 327 ASP cc_start: 0.8354 (m-30) cc_final: 0.7690 (p0) REVERT: K 328 GLU cc_start: 0.7380 (OUTLIER) cc_final: 0.6043 (pp20) REVERT: K 329 GLN cc_start: 0.8265 (mm-40) cc_final: 0.7281 (mm110) REVERT: K 330 MET cc_start: 0.7935 (mmp) cc_final: 0.7689 (mmp) REVERT: K 350 LYS cc_start: 0.8021 (tptp) cc_final: 0.7797 (tptp) REVERT: K 362 LYS cc_start: 0.6522 (mmmt) cc_final: 0.6153 (mmmt) REVERT: K 363 MET cc_start: 0.7523 (mmm) cc_final: 0.7038 (mmm) REVERT: K 367 PHE cc_start: 0.7995 (t80) cc_final: 0.7331 (t80) REVERT: K 386 THR cc_start: 0.8603 (m) cc_final: 0.8320 (p) REVERT: K 389 PHE cc_start: 0.8252 (t80) cc_final: 0.7923 (t80) REVERT: K 414 ASN cc_start: 0.8301 (m-40) cc_final: 0.8057 (m-40) REVERT: K 415 MET cc_start: 0.7666 (tpt) cc_final: 0.7464 (tpt) REVERT: K 421 GLU cc_start: 0.7609 (tt0) cc_final: 0.6951 (tt0) REVERT: T 22 GLU cc_start: 0.6828 (mt-10) cc_final: 0.6464 (mt-10) REVERT: T 41 ILE cc_start: 0.6889 (mm) cc_final: 0.6019 (mm) REVERT: T 46 TYR cc_start: 0.5899 (m-80) cc_final: 0.5342 (m-80) REVERT: T 71 LYS cc_start: 0.7743 (tttt) cc_final: 0.7392 (tttt) REVERT: T 74 LEU cc_start: 0.7806 (mt) cc_final: 0.7528 (mt) REVERT: T 95 MET cc_start: 0.6022 (mtt) cc_final: 0.5801 (mtt) REVERT: T 178 GLU cc_start: 0.7744 (mt-10) cc_final: 0.7403 (pt0) REVERT: T 228 TYR cc_start: 0.5540 (m-80) cc_final: 0.4610 (m-80) REVERT: T 256 LYS cc_start: 0.7628 (mmmt) cc_final: 0.7031 (mmmt) REVERT: T 313 LYS cc_start: 0.7546 (mtmt) cc_final: 0.7312 (tppt) REVERT: T 321 ARG cc_start: 0.7311 (mtm180) cc_final: 0.6937 (mtm180) REVERT: C 11 GLN cc_start: 0.6473 (tp-100) cc_final: 0.5728 (tp40) REVERT: C 15 GLN cc_start: 0.8184 (mm-40) cc_final: 0.7950 (mm-40) REVERT: C 18 ASN cc_start: 0.8195 (t0) cc_final: 0.7983 (t0) REVERT: C 21 TRP cc_start: 0.8155 (m100) cc_final: 0.6994 (m100) REVERT: C 23 LEU cc_start: 0.8297 (tp) cc_final: 0.7885 (tp) REVERT: C 31 GLN cc_start: 0.8022 (mt0) cc_final: 0.7566 (mt0) REVERT: C 95 PRO cc_start: 0.7244 (Cg_endo) cc_final: 0.7041 (Cg_exo) REVERT: C 96 GLU cc_start: 0.6858 (tt0) cc_final: 0.6571 (tt0) REVERT: C 108 ASN cc_start: 0.6932 (t0) cc_final: 0.6162 (t0) REVERT: C 127 ARG cc_start: 0.6374 (tpt-90) cc_final: 0.4931 (tpt-90) REVERT: C 160 MET cc_start: 0.8019 (tmm) cc_final: 0.7421 (tmm) REVERT: C 172 LYS cc_start: 0.8189 (mtmm) cc_final: 0.7833 (ptmt) REVERT: C 174 GLU cc_start: 0.6704 (OUTLIER) cc_final: 0.6444 (mp0) REVERT: C 189 GLU cc_start: 0.7935 (pm20) cc_final: 0.7525 (pm20) REVERT: C 192 ASN cc_start: 0.8229 (m-40) cc_final: 0.7846 (m-40) REVERT: C 223 LEU cc_start: 0.7430 (tp) cc_final: 0.6711 (tp) REVERT: C 241 VAL cc_start: 0.8561 (m) cc_final: 0.8254 (t) REVERT: C 250 PHE cc_start: 0.6759 (m-80) cc_final: 0.6556 (m-80) REVERT: C 258 LEU cc_start: 0.8235 (mt) cc_final: 0.7996 (mt) REVERT: C 262 GLN cc_start: 0.7462 (OUTLIER) cc_final: 0.7013 (mp-120) REVERT: C 277 THR cc_start: 0.7562 (t) cc_final: 0.7059 (p) REVERT: C 290 GLU cc_start: 0.6615 (tm-30) cc_final: 0.5957 (tm-30) REVERT: C 302 PHE cc_start: 0.7392 (m-80) cc_final: 0.7180 (m-80) REVERT: C 303 GLU cc_start: 0.8437 (tm-30) cc_final: 0.8186 (tm-30) REVERT: C 319 MET cc_start: 0.7352 (mmm) cc_final: 0.7085 (mmm) REVERT: C 328 ASP cc_start: 0.6625 (p0) cc_final: 0.6409 (p0) REVERT: C 338 ILE cc_start: 0.8311 (pt) cc_final: 0.8111 (pt) REVERT: C 348 GLN cc_start: 0.7547 (pt0) cc_final: 0.6661 (pp30) REVERT: C 379 ARG cc_start: 0.7892 (ptp90) cc_final: 0.7571 (mtm180) REVERT: C 390 ILE cc_start: 0.8549 (OUTLIER) cc_final: 0.8185 (mt) REVERT: C 392 GLU cc_start: 0.7644 (pt0) cc_final: 0.7416 (pt0) REVERT: C 400 LYS cc_start: 0.7532 (ptpt) cc_final: 0.7163 (pttm) REVERT: C 404 MET cc_start: 0.8124 (mtm) cc_final: 0.7860 (mtm) REVERT: C 414 TYR cc_start: 0.8306 (m-80) cc_final: 0.8089 (m-80) REVERT: C 423 GLU cc_start: 0.8178 (pm20) cc_final: 0.7536 (pm20) REVERT: C 424 PHE cc_start: 0.8597 (m-10) cc_final: 0.8338 (m-80) REVERT: C 426 GLU cc_start: 0.8183 (mm-30) cc_final: 0.7706 (mm-30) REVERT: C 434 LEU cc_start: 0.9098 (tt) cc_final: 0.8893 (tp) REVERT: C 437 ASP cc_start: 0.7336 (m-30) cc_final: 0.6848 (m-30) REVERT: C 440 GLU cc_start: 0.6613 (mt-10) cc_final: 0.6365 (mt-10) REVERT: L 21 TRP cc_start: 0.7979 (m100) cc_final: 0.7622 (m100) REVERT: L 22 GLU cc_start: 0.8370 (tt0) cc_final: 0.7982 (tp30) REVERT: L 47 ILE cc_start: 0.7720 (tt) cc_final: 0.7477 (tt) REVERT: L 62 ARG cc_start: 0.7131 (ttp-110) cc_final: 0.6524 (ttm110) REVERT: L 73 MET cc_start: 0.8430 (mmt) cc_final: 0.7721 (mmt) REVERT: L 74 ASP cc_start: 0.7881 (m-30) cc_final: 0.7564 (m-30) REVERT: L 100 ASN cc_start: 0.7588 (t0) cc_final: 0.7065 (p0) REVERT: L 121 ARG cc_start: 0.7573 (mtt180) cc_final: 0.6951 (ttm110) REVERT: L 122 LYS cc_start: 0.8158 (ttpp) cc_final: 0.7919 (ttpp) REVERT: L 147 MET cc_start: 0.6624 (tmm) cc_final: 0.6177 (tmm) REVERT: L 165 ASN cc_start: 0.7368 (t0) cc_final: 0.5154 (t0) REVERT: L 166 THR cc_start: 0.6968 (p) cc_final: 0.6370 (p) REVERT: L 181 GLU cc_start: 0.6898 (mt-10) cc_final: 0.6662 (mt-10) REVERT: L 198 GLU cc_start: 0.7445 (OUTLIER) cc_final: 0.6700 (pt0) REVERT: L 200 TYR cc_start: 0.7400 (m-80) cc_final: 0.7006 (m-80) REVERT: L 216 LYS cc_start: 0.8459 (ptpp) cc_final: 0.8226 (ptpp) REVERT: L 222 TYR cc_start: 0.7992 (m-80) cc_final: 0.7761 (m-80) REVERT: L 225 LEU cc_start: 0.8912 (mt) cc_final: 0.8701 (mt) REVERT: L 233 MET cc_start: 0.8860 (mtp) cc_final: 0.8187 (mtp) REVERT: L 238 THR cc_start: 0.7228 (m) cc_final: 0.6932 (m) REVERT: L 241 ARG cc_start: 0.7147 (mtm110) cc_final: 0.6488 (ttm110) REVERT: L 242 PHE cc_start: 0.8267 (m-80) cc_final: 0.7864 (m-80) REVERT: L 247 ASN cc_start: 0.7288 (m110) cc_final: 0.7055 (m110) REVERT: L 252 LYS cc_start: 0.7083 (tttm) cc_final: 0.5996 (tttm) REVERT: L 262 ARG cc_start: 0.6589 (mtp85) cc_final: 0.6331 (mtp85) REVERT: L 289 LEU cc_start: 0.8937 (mt) cc_final: 0.8704 (mt) REVERT: L 323 MET cc_start: 0.8156 (mmp) cc_final: 0.7321 (mmp) REVERT: L 327 ASP cc_start: 0.8663 (m-30) cc_final: 0.7966 (p0) REVERT: L 328 GLU cc_start: 0.7021 (OUTLIER) cc_final: 0.6469 (pp20) REVERT: L 329 GLN cc_start: 0.8259 (mm-40) cc_final: 0.7770 (mm-40) REVERT: L 330 MET cc_start: 0.8300 (mmp) cc_final: 0.8075 (mmp) REVERT: L 349 VAL cc_start: 0.8112 (p) cc_final: 0.7897 (m) REVERT: L 396 HIS cc_start: 0.6818 (p-80) cc_final: 0.6562 (p-80) REVERT: L 415 MET cc_start: 0.7712 (tpt) cc_final: 0.7421 (tpt) REVERT: U 41 ILE cc_start: 0.6900 (mm) cc_final: 0.6368 (mm) REVERT: U 46 TYR cc_start: 0.5762 (m-80) cc_final: 0.5273 (m-80) REVERT: U 71 LYS cc_start: 0.7909 (tttt) cc_final: 0.7703 (tttt) REVERT: U 74 LEU cc_start: 0.7253 (mt) cc_final: 0.7043 (mt) REVERT: U 103 GLU cc_start: 0.7518 (tp30) cc_final: 0.6955 (tp30) REVERT: U 178 GLU cc_start: 0.7887 (mt-10) cc_final: 0.7603 (mt-10) REVERT: U 228 TYR cc_start: 0.5103 (m-80) cc_final: 0.4360 (m-80) REVERT: U 237 LYS cc_start: 0.7108 (mttt) cc_final: 0.6666 (mttt) REVERT: U 307 TYR cc_start: 0.7776 (t80) cc_final: 0.6802 (t80) REVERT: D 16 MET cc_start: 0.7571 (mtm) cc_final: 0.6876 (mtm) REVERT: D 23 LEU cc_start: 0.8489 (tp) cc_final: 0.8072 (tp) REVERT: D 31 GLN cc_start: 0.7761 (mt0) cc_final: 0.7314 (mt0) REVERT: D 57 THR cc_start: 0.7895 (p) cc_final: 0.7528 (t) REVERT: D 73 PHE cc_start: 0.7771 (m-10) cc_final: 0.7252 (m-10) REVERT: D 92 LEU cc_start: 0.8028 (mt) cc_final: 0.7767 (mt) REVERT: D 120 ILE cc_start: 0.7701 (tp) cc_final: 0.7385 (tp) REVERT: D 160 MET cc_start: 0.7820 (tmm) cc_final: 0.7416 (tmm) REVERT: D 171 SER cc_start: 0.7076 (p) cc_final: 0.6832 (m) REVERT: D 172 LYS cc_start: 0.7381 (mtmm) cc_final: 0.6872 (ptmt) REVERT: D 199 THR cc_start: 0.8112 (p) cc_final: 0.7190 (p) REVERT: D 216 TYR cc_start: 0.7913 (m-80) cc_final: 0.7645 (m-80) REVERT: D 232 ASN cc_start: 0.8289 (m-40) cc_final: 0.7855 (m-40) REVERT: D 244 ILE cc_start: 0.7594 (pt) cc_final: 0.7049 (mt) REVERT: D 250 PHE cc_start: 0.6545 (m-80) cc_final: 0.6285 (m-80) REVERT: D 254 LEU cc_start: 0.7999 (tt) cc_final: 0.7797 (tt) REVERT: D 257 ASP cc_start: 0.7006 (p0) cc_final: 0.6393 (p0) REVERT: D 262 GLN cc_start: 0.7341 (OUTLIER) cc_final: 0.6723 (mp-120) REVERT: D 282 ILE cc_start: 0.7499 (tp) cc_final: 0.7034 (tp) REVERT: D 290 GLU cc_start: 0.6889 (tm-30) cc_final: 0.6550 (tm-30) REVERT: D 302 PHE cc_start: 0.7813 (m-80) cc_final: 0.7556 (m-80) REVERT: D 317 LYS cc_start: 0.7292 (mttm) cc_final: 0.6721 (mttm) REVERT: D 319 MET cc_start: 0.6992 (mmm) cc_final: 0.6349 (mmm) REVERT: D 332 LYS cc_start: 0.7383 (ttpt) cc_final: 0.7028 (ttpt) REVERT: D 342 LYS cc_start: 0.8943 (mttt) cc_final: 0.8207 (mmmm) REVERT: D 344 LYS cc_start: 0.7869 (ttmm) cc_final: 0.7640 (ttmm) REVERT: D 347 ILE cc_start: 0.7132 (pt) cc_final: 0.6746 (pt) REVERT: D 348 GLN cc_start: 0.8013 (pt0) cc_final: 0.7299 (mp10) REVERT: D 376 LYS cc_start: 0.8088 (tmtt) cc_final: 0.7505 (tptp) REVERT: D 379 ARG cc_start: 0.8136 (ptp90) cc_final: 0.7589 (mtm180) REVERT: D 382 CYS cc_start: 0.7354 (p) cc_final: 0.7042 (p) REVERT: D 386 ASN cc_start: 0.7136 (t0) cc_final: 0.6584 (t0) REVERT: D 396 ARG cc_start: 0.7853 (ttp-110) cc_final: 0.7621 (ptm-80) REVERT: D 397 LEU cc_start: 0.8859 (mt) cc_final: 0.8603 (mt) REVERT: D 400 LYS cc_start: 0.8303 (ptpt) cc_final: 0.7749 (pttm) REVERT: D 401 PHE cc_start: 0.8463 (t80) cc_final: 0.7848 (t80) REVERT: D 410 PHE cc_start: 0.8129 (m-80) cc_final: 0.7067 (m-80) REVERT: D 438 TYR cc_start: 0.8051 (m-80) cc_final: 0.7677 (m-80) REVERT: D 440 GLU cc_start: 0.7196 (mt-10) cc_final: 0.6887 (mt-10) REVERT: M 11 GLN cc_start: 0.7959 (tt0) cc_final: 0.7140 (tm-30) REVERT: M 15 GLN cc_start: 0.8353 (mm110) cc_final: 0.7860 (mm-40) REVERT: M 24 ILE cc_start: 0.7529 (pt) cc_final: 0.6485 (mt) REVERT: M 26 ASP cc_start: 0.8029 (m-30) cc_final: 0.7683 (m-30) REVERT: M 53 GLU cc_start: 0.4720 (tp30) cc_final: 0.4237 (tp30) REVERT: M 73 MET cc_start: 0.8639 (mmt) cc_final: 0.8113 (mmt) REVERT: M 100 ASN cc_start: 0.7636 (t0) cc_final: 0.7137 (t0) REVERT: M 113 VAL cc_start: 0.8737 (p) cc_final: 0.8377 (m) REVERT: M 117 LEU cc_start: 0.8127 (mp) cc_final: 0.6967 (mp) REVERT: M 134 GLN cc_start: 0.6895 (tp-100) cc_final: 0.6495 (tp40) REVERT: M 147 MET cc_start: 0.7136 (tmm) cc_final: 0.6790 (tmm) REVERT: M 151 LEU cc_start: 0.8027 (pp) cc_final: 0.7618 (pp) REVERT: M 158 GLU cc_start: 0.7621 (tt0) cc_final: 0.7283 (tt0) REVERT: M 164 MET cc_start: 0.6911 (mtp) cc_final: 0.5962 (mtp) REVERT: M 167 PHE cc_start: 0.7373 (m-80) cc_final: 0.7020 (m-80) REVERT: M 181 GLU cc_start: 0.6997 (mt-10) cc_final: 0.6292 (mt-10) REVERT: M 183 TYR cc_start: 0.7053 (m-10) cc_final: 0.6660 (m-80) REVERT: M 184 ASN cc_start: 0.7787 (m-40) cc_final: 0.7583 (m-40) REVERT: M 187 LEU cc_start: 0.8560 (mt) cc_final: 0.8289 (mt) REVERT: M 191 GLN cc_start: 0.7651 (mm-40) cc_final: 0.7203 (mt0) REVERT: M 195 ASN cc_start: 0.7865 (m-40) cc_final: 0.6838 (m-40) REVERT: M 215 LEU cc_start: 0.8730 (tp) cc_final: 0.8302 (tp) REVERT: M 217 LEU cc_start: 0.8307 (mt) cc_final: 0.7945 (mt) REVERT: M 233 MET cc_start: 0.8565 (mtp) cc_final: 0.7971 (mtp) REVERT: M 262 ARG cc_start: 0.7428 (mtp85) cc_final: 0.6993 (mtp180) REVERT: M 264 HIS cc_start: 0.7756 (p-80) cc_final: 0.6620 (p-80) REVERT: M 289 LEU cc_start: 0.8277 (mt) cc_final: 0.8072 (mt) REVERT: M 290 THR cc_start: 0.8064 (m) cc_final: 0.7176 (p) REVERT: M 297 LYS cc_start: 0.8253 (mmmt) cc_final: 0.7721 (mmmt) REVERT: M 323 MET cc_start: 0.7907 (mmp) cc_final: 0.7678 (mmp) REVERT: M 324 LYS cc_start: 0.7962 (ttpt) cc_final: 0.7758 (ttpt) REVERT: M 326 VAL cc_start: 0.8810 (t) cc_final: 0.8424 (t) REVERT: M 328 GLU cc_start: 0.7093 (OUTLIER) cc_final: 0.6655 (pp20) REVERT: M 329 GLN cc_start: 0.7671 (mm-40) cc_final: 0.6840 (mt0) REVERT: M 362 LYS cc_start: 0.7459 (mmmt) cc_final: 0.6955 (mmmt) REVERT: M 363 MET cc_start: 0.7624 (mmm) cc_final: 0.7394 (mmm) REVERT: M 375 GLN cc_start: 0.7667 (pt0) cc_final: 0.7467 (pt0) REVERT: M 392 LYS cc_start: 0.8069 (mtmm) cc_final: 0.7577 (mtmm) REVERT: M 395 LEU cc_start: 0.8011 (mt) cc_final: 0.7548 (mt) REVERT: M 407 GLU cc_start: 0.7919 (mt-10) cc_final: 0.6808 (mt-10) REVERT: M 410 GLU cc_start: 0.7724 (mt-10) cc_final: 0.7453 (mt-10) REVERT: M 414 ASN cc_start: 0.8251 (m-40) cc_final: 0.7530 (m-40) REVERT: M 415 MET cc_start: 0.7419 (tpt) cc_final: 0.7154 (tpt) REVERT: V 22 GLU cc_start: 0.7697 (mt-10) cc_final: 0.7371 (mt-10) REVERT: V 46 TYR cc_start: 0.6405 (m-80) cc_final: 0.5884 (m-80) REVERT: V 67 LYS cc_start: 0.8039 (tptt) cc_final: 0.7820 (tptt) REVERT: V 95 MET cc_start: 0.7011 (mtt) cc_final: 0.6693 (mtt) REVERT: V 129 HIS cc_start: 0.5743 (m-70) cc_final: 0.5384 (m-70) REVERT: V 178 GLU cc_start: 0.7785 (mt-10) cc_final: 0.7293 (mt-10) REVERT: V 185 GLU cc_start: 0.6206 (pp20) cc_final: 0.5983 (pp20) REVERT: V 230 VAL cc_start: 0.7296 (t) cc_final: 0.6980 (t) REVERT: V 278 ARG cc_start: 0.6557 (mtt180) cc_final: 0.6114 (mtt180) REVERT: V 311 GLU cc_start: 0.7547 (pm20) cc_final: 0.7183 (pm20) REVERT: E 16 MET cc_start: 0.7897 (mtm) cc_final: 0.6980 (mtm) REVERT: E 23 LEU cc_start: 0.8247 (tp) cc_final: 0.7977 (tp) REVERT: E 31 GLN cc_start: 0.7776 (mt0) cc_final: 0.7396 (mt0) REVERT: E 70 ARG cc_start: 0.5661 (mtt90) cc_final: 0.5094 (mtm180) REVERT: E 120 ILE cc_start: 0.8063 (tp) cc_final: 0.7765 (tp) REVERT: E 161 GLU cc_start: 0.8069 (tt0) cc_final: 0.7660 (tt0) REVERT: E 198 HIS cc_start: 0.7300 (t-90) cc_final: 0.6559 (t-170) REVERT: E 208 PHE cc_start: 0.7165 (m-80) cc_final: 0.6907 (m-80) REVERT: E 209 MET cc_start: 0.7608 (mmt) cc_final: 0.7043 (mmm) REVERT: E 231 THR cc_start: 0.8400 (m) cc_final: 0.6475 (t) REVERT: E 232 ASN cc_start: 0.8683 (m-40) cc_final: 0.6828 (m-40) REVERT: E 235 ARG cc_start: 0.8350 (mtt-85) cc_final: 0.7966 (mtt-85) REVERT: E 244 ILE cc_start: 0.7527 (pt) cc_final: 0.6916 (mt) REVERT: E 245 THR cc_start: 0.7928 (t) cc_final: 0.7685 (p) REVERT: E 272 HIS cc_start: 0.7837 (p90) cc_final: 0.7129 (p90) REVERT: E 278 TYR cc_start: 0.6578 (t80) cc_final: 0.6247 (t80) REVERT: E 309 VAL cc_start: 0.8216 (p) cc_final: 0.7956 (m) REVERT: E 319 MET cc_start: 0.5318 (mmm) cc_final: 0.4926 (mmm) REVERT: E 332 LYS cc_start: 0.7967 (ttpt) cc_final: 0.7763 (mttp) REVERT: E 358 LYS cc_start: 0.8126 (tptt) cc_final: 0.7858 (mmtt) REVERT: E 363 TYR cc_start: 0.7705 (m-80) cc_final: 0.7423 (m-10) REVERT: E 397 LEU cc_start: 0.9138 (mt) cc_final: 0.8915 (mt) REVERT: E 398 ASP cc_start: 0.6830 (t0) cc_final: 0.6365 (t0) REVERT: E 400 LYS cc_start: 0.8201 (ptpt) cc_final: 0.7620 (ptpt) REVERT: E 401 PHE cc_start: 0.8023 (t80) cc_final: 0.7228 (t80) REVERT: E 404 MET cc_start: 0.8203 (mtm) cc_final: 0.7514 (mtm) REVERT: E 407 LYS cc_start: 0.8273 (mmmt) cc_final: 0.7167 (mmmt) REVERT: E 408 ARG cc_start: 0.7375 (mmt-90) cc_final: 0.7141 (mpt180) REVERT: E 410 PHE cc_start: 0.7778 (m-80) cc_final: 0.7523 (m-10) REVERT: E 431 MET cc_start: 0.7908 (mmp) cc_final: 0.7686 (mmp) REVERT: N 3 GLU cc_start: 0.7682 (mp0) cc_final: 0.6268 (mp0) REVERT: N 4 ILE cc_start: 0.7530 (mt) cc_final: 0.5956 (tp) REVERT: N 20 PHE cc_start: 0.8929 (t80) cc_final: 0.8725 (t80) REVERT: N 62 ARG cc_start: 0.6767 (ttp-110) cc_final: 0.6089 (ttp-110) REVERT: N 65 LEU cc_start: 0.7739 (mp) cc_final: 0.7486 (mp) REVERT: N 67 ASP cc_start: 0.6688 (t70) cc_final: 0.6077 (t70) REVERT: N 73 MET cc_start: 0.8428 (mmt) cc_final: 0.8073 (mmt) REVERT: N 77 ARG cc_start: 0.7930 (ttm110) cc_final: 0.7388 (ttm110) REVERT: N 100 ASN cc_start: 0.8397 (t0) cc_final: 0.8071 (t0) REVERT: N 122 LYS cc_start: 0.8238 (ttpp) cc_final: 0.7524 (ttpp) REVERT: N 147 MET cc_start: 0.6929 (tmm) cc_final: 0.6461 (tmm) REVERT: N 151 LEU cc_start: 0.8366 (pp) cc_final: 0.8097 (pp) REVERT: N 158 GLU cc_start: 0.7969 (tt0) cc_final: 0.7627 (tt0) REVERT: N 159 TYR cc_start: 0.8215 (m-80) cc_final: 0.7545 (m-80) REVERT: N 164 MET cc_start: 0.6298 (mtp) cc_final: 0.6068 (mtp) REVERT: N 165 ASN cc_start: 0.7294 (t0) cc_final: 0.6981 (t0) REVERT: N 167 PHE cc_start: 0.7902 (m-80) cc_final: 0.7304 (m-80) REVERT: N 178 THR cc_start: 0.6969 (m) cc_final: 0.6698 (t) REVERT: N 181 GLU cc_start: 0.7093 (mt-10) cc_final: 0.6593 (mt-10) REVERT: N 197 ASP cc_start: 0.6530 (m-30) cc_final: 0.5851 (m-30) REVERT: N 198 GLU cc_start: 0.7167 (OUTLIER) cc_final: 0.6557 (pt0) REVERT: N 204 ASN cc_start: 0.7715 (m-40) cc_final: 0.7419 (m-40) REVERT: N 215 LEU cc_start: 0.8297 (tp) cc_final: 0.8040 (tp) REVERT: N 233 MET cc_start: 0.8832 (mtp) cc_final: 0.7513 (mtp) REVERT: N 241 ARG cc_start: 0.7575 (mtm110) cc_final: 0.7357 (ttp-110) REVERT: N 242 PHE cc_start: 0.8282 (m-80) cc_final: 0.7763 (m-80) REVERT: N 253 LEU cc_start: 0.8229 (mp) cc_final: 0.7655 (mp) REVERT: N 262 ARG cc_start: 0.7535 (mtp85) cc_final: 0.7237 (mtt180) REVERT: N 264 HIS cc_start: 0.7768 (p-80) cc_final: 0.6642 (p-80) REVERT: N 267 MET cc_start: 0.6749 (ttp) cc_final: 0.6053 (ttp) REVERT: N 290 THR cc_start: 0.8310 (m) cc_final: 0.8095 (p) REVERT: N 292 GLN cc_start: 0.8414 (tt0) cc_final: 0.7880 (tt0) REVERT: N 297 LYS cc_start: 0.7723 (mmmt) cc_final: 0.7232 (mmmt) REVERT: N 299 MET cc_start: 0.5709 (mtm) cc_final: 0.4374 (mtm) REVERT: N 326 VAL cc_start: 0.9105 (t) cc_final: 0.8899 (t) REVERT: N 327 ASP cc_start: 0.8787 (m-30) cc_final: 0.8400 (m-30) REVERT: N 344 TRP cc_start: 0.7000 (p-90) cc_final: 0.6298 (p-90) REVERT: N 362 LYS cc_start: 0.7720 (mmmt) cc_final: 0.6798 (mmmt) REVERT: N 363 MET cc_start: 0.7746 (mmm) cc_final: 0.7523 (mmp) REVERT: N 367 PHE cc_start: 0.7579 (t80) cc_final: 0.7068 (t80) REVERT: N 372 THR cc_start: 0.7814 (p) cc_final: 0.7435 (p) REVERT: N 381 ILE cc_start: 0.8155 (mm) cc_final: 0.7823 (mm) REVERT: N 390 ARG cc_start: 0.7633 (ptt90) cc_final: 0.7207 (ptt90) REVERT: N 391 ARG cc_start: 0.7577 (ttt180) cc_final: 0.7076 (ttt180) REVERT: N 392 LYS cc_start: 0.7335 (mtmm) cc_final: 0.6667 (mmtm) REVERT: N 406 MET cc_start: 0.8266 (tpp) cc_final: 0.7824 (tpp) REVERT: N 409 THR cc_start: 0.8257 (m) cc_final: 0.7880 (p) REVERT: N 413 SER cc_start: 0.7199 (p) cc_final: 0.6914 (p) REVERT: N 415 MET cc_start: 0.7928 (tpt) cc_final: 0.7500 (tpt) REVERT: W 51 VAL cc_start: 0.6545 (t) cc_final: 0.6282 (t) REVERT: W 67 LYS cc_start: 0.6582 (tptt) cc_final: 0.6318 (mmmt) REVERT: W 95 MET cc_start: 0.7054 (mtt) cc_final: 0.6500 (mtt) REVERT: W 110 ARG cc_start: 0.4506 (mtt-85) cc_final: 0.4194 (mtt180) REVERT: W 114 ASP cc_start: 0.7525 (t0) cc_final: 0.7249 (p0) REVERT: W 171 ARG cc_start: 0.6516 (mtt180) cc_final: 0.6097 (mtt180) REVERT: W 178 GLU cc_start: 0.7832 (mt-10) cc_final: 0.7306 (mt-10) REVERT: W 268 LEU cc_start: 0.7927 (mt) cc_final: 0.7682 (mt) REVERT: W 282 MET cc_start: 0.8438 (tpt) cc_final: 0.8117 (tpt) REVERT: W 298 ILE cc_start: 0.7637 (tp) cc_final: 0.7427 (tp) REVERT: W 307 TYR cc_start: 0.6573 (t80) cc_final: 0.6307 (t80) REVERT: W 308 ASN cc_start: 0.7724 (m-40) cc_final: 0.7204 (m-40) REVERT: W 311 GLU cc_start: 0.8185 (pm20) cc_final: 0.7738 (pm20) REVERT: W 315 THR cc_start: 0.8348 (m) cc_final: 0.8100 (p) REVERT: F 16 MET cc_start: 0.8417 (mtm) cc_final: 0.7586 (mtm) REVERT: F 18 ASN cc_start: 0.8302 (t0) cc_final: 0.7709 (t0) REVERT: F 21 TRP cc_start: 0.8043 (m100) cc_final: 0.7247 (m100) REVERT: F 22 GLU cc_start: 0.7622 (pt0) cc_final: 0.7329 (pt0) REVERT: F 24 TYR cc_start: 0.7692 (m-80) cc_final: 0.6802 (m-80) REVERT: F 72 VAL cc_start: 0.6629 (OUTLIER) cc_final: 0.6125 (m) REVERT: F 108 ASN cc_start: 0.6779 (t0) cc_final: 0.5991 (t0) REVERT: F 131 LEU cc_start: 0.7930 (tt) cc_final: 0.7622 (tp) REVERT: F 134 GLN cc_start: 0.7249 (pp30) cc_final: 0.6541 (tm-30) REVERT: F 160 MET cc_start: 0.8046 (tmm) cc_final: 0.7041 (tmm) REVERT: F 172 LYS cc_start: 0.7805 (mtmm) cc_final: 0.7268 (ptmt) REVERT: F 209 MET cc_start: 0.7522 (mmt) cc_final: 0.6304 (mmt) REVERT: F 230 TYR cc_start: 0.7707 (m-10) cc_final: 0.6717 (m-80) REVERT: F 244 ILE cc_start: 0.7567 (pt) cc_final: 0.6799 (mt) REVERT: F 258 LEU cc_start: 0.7939 (mt) cc_final: 0.7467 (mt) REVERT: F 262 GLN cc_start: 0.7378 (OUTLIER) cc_final: 0.6774 (mp-120) REVERT: F 277 THR cc_start: 0.7907 (t) cc_final: 0.7171 (p) REVERT: F 303 GLU cc_start: 0.8340 (tm-30) cc_final: 0.8115 (tm-30) REVERT: F 319 MET cc_start: 0.7164 (mmm) cc_final: 0.6912 (mmm) REVERT: F 328 ASP cc_start: 0.6815 (p0) cc_final: 0.6431 (p0) REVERT: F 348 GLN cc_start: 0.7581 (pt0) cc_final: 0.6889 (pp30) REVERT: F 350 VAL cc_start: 0.8613 (p) cc_final: 0.8388 (p) REVERT: F 361 ILE cc_start: 0.6633 (tp) cc_final: 0.6177 (tp) REVERT: F 379 ARG cc_start: 0.7941 (ptp90) cc_final: 0.7649 (mtm180) REVERT: F 414 TYR cc_start: 0.8414 (m-80) cc_final: 0.8109 (m-80) REVERT: O 11 GLN cc_start: 0.7013 (tt0) cc_final: 0.6783 (tm-30) REVERT: O 20 PHE cc_start: 0.8296 (t80) cc_final: 0.7659 (t80) REVERT: O 21 TRP cc_start: 0.8129 (m100) cc_final: 0.7872 (m100) REVERT: O 22 GLU cc_start: 0.8187 (tt0) cc_final: 0.7806 (tp30) REVERT: O 26 ASP cc_start: 0.7853 (m-30) cc_final: 0.7217 (m-30) REVERT: O 73 MET cc_start: 0.8083 (mmt) cc_final: 0.7480 (mmt) REVERT: O 83 GLN cc_start: 0.7687 (mm-40) cc_final: 0.7467 (mm-40) REVERT: O 112 LEU cc_start: 0.8499 (tp) cc_final: 0.8213 (tp) REVERT: O 147 MET cc_start: 0.6922 (tmm) cc_final: 0.6102 (tmm) REVERT: O 164 MET cc_start: 0.6908 (mtp) cc_final: 0.6105 (mtp) REVERT: O 181 GLU cc_start: 0.7047 (mt-10) cc_final: 0.6624 (mt-10) REVERT: O 183 TYR cc_start: 0.7524 (m-10) cc_final: 0.7310 (m-80) REVERT: O 187 LEU cc_start: 0.8093 (mt) cc_final: 0.7811 (mt) REVERT: O 198 GLU cc_start: 0.7392 (OUTLIER) cc_final: 0.6753 (pt0) REVERT: O 229 VAL cc_start: 0.8330 (m) cc_final: 0.7973 (t) REVERT: O 233 MET cc_start: 0.8856 (mtp) cc_final: 0.8559 (mtp) REVERT: O 242 PHE cc_start: 0.8132 (m-80) cc_final: 0.7920 (m-80) REVERT: O 247 ASN cc_start: 0.7432 (m110) cc_final: 0.7050 (m110) REVERT: O 253 LEU cc_start: 0.8363 (mp) cc_final: 0.8033 (mp) REVERT: O 286 VAL cc_start: 0.9042 (m) cc_final: 0.8539 (p) REVERT: O 289 LEU cc_start: 0.8815 (mt) cc_final: 0.8538 (mt) REVERT: O 293 MET cc_start: 0.7414 (OUTLIER) cc_final: 0.7079 (mmp) REVERT: O 320 ARG cc_start: 0.6710 (mmm160) cc_final: 0.6454 (mmm160) REVERT: O 323 MET cc_start: 0.7910 (mmp) cc_final: 0.5349 (mmp) REVERT: O 328 GLU cc_start: 0.7433 (OUTLIER) cc_final: 0.6770 (pp20) REVERT: O 330 MET cc_start: 0.8151 (mmp) cc_final: 0.7898 (mmp) REVERT: O 349 VAL cc_start: 0.7984 (p) cc_final: 0.7692 (m) REVERT: O 362 LYS cc_start: 0.6636 (mmmt) cc_final: 0.6143 (mmmt) REVERT: O 363 MET cc_start: 0.7324 (mmm) cc_final: 0.6827 (mmm) REVERT: O 414 ASN cc_start: 0.8037 (m-40) cc_final: 0.7548 (m110) REVERT: X 36 GLU cc_start: 0.6131 (mt-10) cc_final: 0.5798 (mt-10) REVERT: X 74 LEU cc_start: 0.7087 (mt) cc_final: 0.6698 (mt) REVERT: X 127 GLU cc_start: 0.5902 (tt0) cc_final: 0.5165 (tt0) REVERT: X 178 GLU cc_start: 0.7733 (mt-10) cc_final: 0.7436 (mt-10) REVERT: G 11 GLN cc_start: 0.5168 (tp-100) cc_final: 0.4849 (tm-30) REVERT: G 16 MET cc_start: 0.7584 (mtm) cc_final: 0.6964 (mtm) REVERT: G 23 LEU cc_start: 0.8051 (tp) cc_final: 0.7629 (tp) REVERT: G 24 TYR cc_start: 0.7659 (m-80) cc_final: 0.6837 (m-80) REVERT: G 27 GLU cc_start: 0.7476 (mt-10) cc_final: 0.7155 (mt-10) REVERT: G 31 GLN cc_start: 0.6957 (mt0) cc_final: 0.6705 (mt0) REVERT: G 57 THR cc_start: 0.7174 (p) cc_final: 0.6929 (t) REVERT: G 72 VAL cc_start: 0.5934 (OUTLIER) cc_final: 0.3531 (m) REVERT: G 91 GLN cc_start: 0.7654 (mm-40) cc_final: 0.7172 (mm-40) REVERT: G 93 PHE cc_start: 0.7089 (m-80) cc_final: 0.6693 (m-80) REVERT: G 163 LEU cc_start: 0.7603 (pp) cc_final: 0.6250 (tt) REVERT: G 169 LYS cc_start: 0.8409 (ptpp) cc_final: 0.8133 (ptpp) REVERT: G 172 LYS cc_start: 0.7300 (mtmm) cc_final: 0.6930 (ptmt) REVERT: G 205 ASP cc_start: 0.7740 (m-30) cc_final: 0.7077 (m-30) REVERT: G 217 ASP cc_start: 0.7539 (t0) cc_final: 0.7094 (t0) REVERT: G 230 TYR cc_start: 0.7532 (m-10) cc_final: 0.7302 (m-10) REVERT: G 235 ARG cc_start: 0.7184 (mtt-85) cc_final: 0.6743 (tpp80) REVERT: G 258 LEU cc_start: 0.8276 (mt) cc_final: 0.7609 (mm) REVERT: G 259 THR cc_start: 0.8333 (p) cc_final: 0.7618 (p) REVERT: G 262 GLN cc_start: 0.7324 (OUTLIER) cc_final: 0.6869 (mp-120) REVERT: G 277 THR cc_start: 0.7603 (t) cc_final: 0.6678 (p) REVERT: G 290 GLU cc_start: 0.6578 (tm-30) cc_final: 0.5818 (tm-30) REVERT: G 298 THR cc_start: 0.8399 (OUTLIER) cc_final: 0.8055 (p) REVERT: G 312 ASP cc_start: 0.7166 (t0) cc_final: 0.6870 (t0) REVERT: G 328 ASP cc_start: 0.6957 (p0) cc_final: 0.6654 (p0) REVERT: G 332 LYS cc_start: 0.7483 (ttpt) cc_final: 0.7254 (ttpt) REVERT: G 342 LYS cc_start: 0.8819 (mttt) cc_final: 0.8124 (mmmm) REVERT: G 358 LYS cc_start: 0.6535 (tptt) cc_final: 0.6015 (tppt) REVERT: G 376 LYS cc_start: 0.8006 (tmtt) cc_final: 0.7612 (tptp) REVERT: G 379 ARG cc_start: 0.8247 (ptp90) cc_final: 0.7785 (mtm180) REVERT: G 397 LEU cc_start: 0.8749 (mt) cc_final: 0.8543 (mt) REVERT: G 400 LYS cc_start: 0.7825 (ptpt) cc_final: 0.7321 (pttm) REVERT: G 407 LYS cc_start: 0.8212 (mmmt) cc_final: 0.7824 (mmmm) REVERT: G 413 TRP cc_start: 0.7804 (m100) cc_final: 0.7544 (m100) REVERT: G 423 GLU cc_start: 0.7985 (pm20) cc_final: 0.6801 (pm20) REVERT: G 424 PHE cc_start: 0.8696 (m-10) cc_final: 0.8112 (m-10) REVERT: G 426 GLU cc_start: 0.8131 (mm-30) cc_final: 0.7200 (mm-30) REVERT: G 441 VAL cc_start: 0.8656 (p) cc_final: 0.8352 (p) REVERT: P 15 GLN cc_start: 0.8251 (mm110) cc_final: 0.7820 (mm-40) REVERT: P 19 LYS cc_start: 0.8082 (tptt) cc_final: 0.7215 (tptt) REVERT: P 21 TRP cc_start: 0.7944 (m100) cc_final: 0.7613 (m100) REVERT: P 47 ILE cc_start: 0.7980 (tt) cc_final: 0.7773 (tt) REVERT: P 67 ASP cc_start: 0.7443 (t70) cc_final: 0.6483 (t0) REVERT: P 73 MET cc_start: 0.8412 (mmt) cc_final: 0.7775 (mmt) REVERT: P 121 ARG cc_start: 0.7846 (mtt180) cc_final: 0.7633 (mtm-85) REVERT: P 147 MET cc_start: 0.7274 (tmm) cc_final: 0.6754 (tmm) REVERT: P 158 GLU cc_start: 0.7789 (tt0) cc_final: 0.7557 (tt0) REVERT: P 164 MET cc_start: 0.6907 (mtp) cc_final: 0.6055 (mtp) REVERT: P 165 ASN cc_start: 0.7263 (t0) cc_final: 0.6275 (t0) REVERT: P 167 PHE cc_start: 0.7449 (m-80) cc_final: 0.6197 (m-10) REVERT: P 181 GLU cc_start: 0.6802 (mt-10) cc_final: 0.6448 (mt-10) REVERT: P 195 ASN cc_start: 0.7429 (m-40) cc_final: 0.6687 (m110) REVERT: P 197 ASP cc_start: 0.6798 (m-30) cc_final: 0.6127 (m-30) REVERT: P 198 GLU cc_start: 0.7172 (OUTLIER) cc_final: 0.6527 (pt0) REVERT: P 202 ILE cc_start: 0.4940 (mt) cc_final: 0.4537 (mt) REVERT: P 215 LEU cc_start: 0.8317 (tp) cc_final: 0.8084 (tp) REVERT: P 253 LEU cc_start: 0.7608 (mp) cc_final: 0.7160 (tt) REVERT: P 262 ARG cc_start: 0.7658 (mtp85) cc_final: 0.7315 (mtp180) REVERT: P 264 HIS cc_start: 0.7460 (p-80) cc_final: 0.6416 (p-80) REVERT: P 267 MET cc_start: 0.6986 (ttp) cc_final: 0.6585 (mmm) REVERT: P 288 GLU cc_start: 0.7131 (tt0) cc_final: 0.6517 (tt0) REVERT: P 297 LYS cc_start: 0.7818 (mmmt) cc_final: 0.7296 (mmmt) REVERT: P 320 ARG cc_start: 0.7136 (mmm160) cc_final: 0.6680 (mmm160) REVERT: P 321 MET cc_start: 0.8018 (ptp) cc_final: 0.7021 (ptp) REVERT: P 324 LYS cc_start: 0.7759 (ttpt) cc_final: 0.7276 (ttpt) REVERT: P 330 MET cc_start: 0.8477 (mmp) cc_final: 0.8231 (mmp) REVERT: P 336 LYS cc_start: 0.8198 (mtmm) cc_final: 0.7930 (mtmm) REVERT: P 337 ASN cc_start: 0.7151 (m-40) cc_final: 0.6779 (t0) REVERT: P 345 ILE cc_start: 0.7962 (mt) cc_final: 0.7716 (mt) REVERT: P 350 LYS cc_start: 0.7776 (tptp) cc_final: 0.7414 (tptp) REVERT: P 362 LYS cc_start: 0.7504 (mmmt) cc_final: 0.6805 (mmmt) REVERT: P 367 PHE cc_start: 0.7496 (t80) cc_final: 0.6974 (t80) REVERT: P 375 GLN cc_start: 0.7845 (pt0) cc_final: 0.7546 (pt0) REVERT: P 383 GLU cc_start: 0.8018 (mm-30) cc_final: 0.7769 (mm-30) REVERT: P 388 MET cc_start: 0.7589 (mtp) cc_final: 0.7284 (mmt) REVERT: P 390 ARG cc_start: 0.7622 (ptt90) cc_final: 0.7112 (ptt90) REVERT: P 395 LEU cc_start: 0.7621 (mt) cc_final: 0.6902 (mt) REVERT: P 403 MET cc_start: 0.5209 (ttt) cc_final: 0.4865 (ttt) REVERT: P 408 PHE cc_start: 0.8135 (m-80) cc_final: 0.7178 (m-80) REVERT: P 409 THR cc_start: 0.8150 (m) cc_final: 0.7741 (p) REVERT: P 410 GLU cc_start: 0.7683 (mt-10) cc_final: 0.7106 (mm-30) REVERT: P 414 ASN cc_start: 0.8098 (m-40) cc_final: 0.7862 (m110) REVERT: Z 49 ASP cc_start: 0.5289 (m-30) cc_final: 0.5061 (m-30) REVERT: Z 60 GLN cc_start: 0.7295 (mt0) cc_final: 0.7000 (mt0) REVERT: Z 101 ASP cc_start: 0.4908 (t70) cc_final: 0.4312 (t70) REVERT: Z 162 VAL cc_start: 0.6858 (t) cc_final: 0.6560 (t) REVERT: Z 178 GLU cc_start: 0.8026 (mt-10) cc_final: 0.7397 (pt0) REVERT: Z 179 VAL cc_start: 0.7255 (t) cc_final: 0.7053 (p) REVERT: Z 180 MET cc_start: 0.7057 (mmt) cc_final: 0.6792 (mpp) REVERT: Z 185 GLU cc_start: 0.5918 (pp20) cc_final: 0.5578 (pp20) REVERT: Z 256 LYS cc_start: 0.7319 (mmmt) cc_final: 0.6206 (mmmt) REVERT: Z 307 TYR cc_start: 0.7414 (t80) cc_final: 0.6531 (t80) REVERT: H 11 GLN cc_start: 0.4715 (tp-100) cc_final: 0.4051 (tp-100) REVERT: H 16 MET cc_start: 0.7361 (mtm) cc_final: 0.6392 (mmt) REVERT: H 72 VAL cc_start: 0.6738 (OUTLIER) cc_final: 0.4027 (m) REVERT: H 93 PHE cc_start: 0.6852 (m-80) cc_final: 0.6558 (m-80) REVERT: H 96 GLU cc_start: 0.7541 (tt0) cc_final: 0.6805 (tt0) REVERT: H 104 ASP cc_start: 0.4105 (t0) cc_final: 0.3743 (t0) REVERT: H 120 ILE cc_start: 0.8299 (tp) cc_final: 0.7956 (tp) REVERT: H 138 LEU cc_start: 0.7568 (tp) cc_final: 0.7214 (tp) REVERT: H 160 MET cc_start: 0.7483 (tmm) cc_final: 0.7168 (tmm) REVERT: H 161 GLU cc_start: 0.7834 (tt0) cc_final: 0.7504 (tt0) REVERT: H 191 TYR cc_start: 0.7696 (m-80) cc_final: 0.7115 (m-80) REVERT: H 198 HIS cc_start: 0.7110 (t-90) cc_final: 0.6431 (t-170) REVERT: H 203 HIS cc_start: 0.7644 (m170) cc_final: 0.7183 (m170) REVERT: H 208 PHE cc_start: 0.7159 (m-80) cc_final: 0.6799 (m-80) REVERT: H 209 MET cc_start: 0.7519 (mmt) cc_final: 0.6581 (mmm) REVERT: H 257 ASP cc_start: 0.7246 (p0) cc_final: 0.6740 (p0) REVERT: H 272 HIS cc_start: 0.7793 (p90) cc_final: 0.6642 (p90) REVERT: H 312 ASP cc_start: 0.7248 (t0) cc_final: 0.6906 (t0) REVERT: H 319 MET cc_start: 0.5677 (mmm) cc_final: 0.4728 (mmm) REVERT: H 404 MET cc_start: 0.8119 (mtm) cc_final: 0.7876 (mtm) REVERT: H 407 LYS cc_start: 0.8188 (mmmt) cc_final: 0.7760 (mmmt) REVERT: H 412 HIS cc_start: 0.6577 (p90) cc_final: 0.6076 (p90) REVERT: H 424 PHE cc_start: 0.8198 (m-10) cc_final: 0.7905 (m-10) REVERT: H 431 MET cc_start: 0.7919 (mmp) cc_final: 0.7510 (mmp) REVERT: R 3 GLU cc_start: 0.7308 (mp0) cc_final: 0.5530 (mp0) REVERT: R 4 ILE cc_start: 0.7050 (mt) cc_final: 0.6804 (tp) REVERT: R 66 VAL cc_start: 0.7259 (m) cc_final: 0.6962 (p) REVERT: R 76 VAL cc_start: 0.8392 (t) cc_final: 0.8161 (p) REVERT: R 77 ARG cc_start: 0.7646 (ttm110) cc_final: 0.7100 (ttm110) REVERT: R 100 ASN cc_start: 0.8344 (t0) cc_final: 0.7775 (t0) REVERT: R 121 ARG cc_start: 0.8326 (mtt180) cc_final: 0.7908 (mtt90) REVERT: R 129 CYS cc_start: 0.6003 (t) cc_final: 0.5635 (m) REVERT: R 147 MET cc_start: 0.6960 (tmm) cc_final: 0.6555 (tmm) REVERT: R 159 TYR cc_start: 0.7926 (m-80) cc_final: 0.7653 (m-10) REVERT: R 165 ASN cc_start: 0.7319 (t0) cc_final: 0.7076 (m-40) REVERT: R 167 PHE cc_start: 0.7927 (m-80) cc_final: 0.7253 (m-80) REVERT: R 179 VAL cc_start: 0.8096 (t) cc_final: 0.7103 (t) REVERT: R 183 TYR cc_start: 0.7074 (m-10) cc_final: 0.6732 (m-80) REVERT: R 184 ASN cc_start: 0.7985 (m-40) cc_final: 0.6546 (t0) REVERT: R 195 ASN cc_start: 0.6984 (m-40) cc_final: 0.6618 (m-40) REVERT: R 233 MET cc_start: 0.8502 (mtp) cc_final: 0.8007 (mtt) REVERT: R 262 ARG cc_start: 0.7440 (mtp85) cc_final: 0.7148 (mtt180) REVERT: R 264 HIS cc_start: 0.7602 (p-80) cc_final: 0.6649 (p-80) REVERT: R 267 MET cc_start: 0.6939 (ttp) cc_final: 0.6417 (ttp) REVERT: R 292 GLN cc_start: 0.8208 (tt0) cc_final: 0.7976 (tt0) REVERT: R 297 LYS cc_start: 0.7735 (mmmt) cc_final: 0.7530 (mmmt) REVERT: R 317 PHE cc_start: 0.7639 (m-80) cc_final: 0.7350 (m-10) REVERT: R 323 MET cc_start: 0.7486 (mmp) cc_final: 0.6493 (mmp) REVERT: R 326 VAL cc_start: 0.8975 (t) cc_final: 0.8564 (t) REVERT: R 327 ASP cc_start: 0.8746 (m-30) cc_final: 0.8223 (p0) REVERT: R 328 GLU cc_start: 0.7524 (OUTLIER) cc_final: 0.6973 (pp20) REVERT: R 330 MET cc_start: 0.8436 (mmp) cc_final: 0.8137 (mmp) REVERT: R 354 CYS cc_start: 0.7480 (t) cc_final: 0.6895 (p) REVERT: R 362 LYS cc_start: 0.7960 (mmmt) cc_final: 0.7199 (mmmt) REVERT: R 363 MET cc_start: 0.8207 (mmm) cc_final: 0.7695 (mmm) REVERT: R 379 LYS cc_start: 0.7706 (mptt) cc_final: 0.7324 (mptt) REVERT: R 390 ARG cc_start: 0.7629 (ptt90) cc_final: 0.7147 (ptt90) REVERT: R 391 ARG cc_start: 0.7306 (ttt180) cc_final: 0.7081 (ttt180) REVERT: R 398 TYR cc_start: 0.7341 (m-80) cc_final: 0.7077 (m-10) REVERT: R 421 GLU cc_start: 0.7168 (tt0) cc_final: 0.6874 (tp30) REVERT: a 36 GLU cc_start: 0.7077 (mt-10) cc_final: 0.6698 (mt-10) REVERT: a 82 PHE cc_start: 0.7626 (p90) cc_final: 0.6995 (p90) REVERT: a 91 LYS cc_start: 0.6482 (mtmm) cc_final: 0.6216 (mmmt) REVERT: a 95 MET cc_start: 0.6865 (mtt) cc_final: 0.5982 (mtt) REVERT: a 138 TYR cc_start: 0.6443 (t80) cc_final: 0.5803 (t80) REVERT: a 176 PRO cc_start: 0.5609 (Cg_endo) cc_final: 0.5098 (Cg_exo) REVERT: a 178 GLU cc_start: 0.7682 (mt-10) cc_final: 0.7194 (mt-10) REVERT: a 241 THR cc_start: 0.6748 (p) cc_final: 0.6525 (p) REVERT: a 252 LYS cc_start: 0.6788 (mttt) cc_final: 0.6530 (mttt) REVERT: a 268 LEU cc_start: 0.8168 (mt) cc_final: 0.7915 (mt) REVERT: a 282 MET cc_start: 0.8435 (tpt) cc_final: 0.7968 (tpt) REVERT: a 307 TYR cc_start: 0.6085 (t80) cc_final: 0.5794 (t80) REVERT: a 311 GLU cc_start: 0.8185 (pm20) cc_final: 0.7801 (pm20) REVERT: a 315 THR cc_start: 0.8379 (m) cc_final: 0.8174 (p) outliers start: 252 outliers final: 97 residues processed: 3860 average time/residue: 0.7799 time to fit residues: 5119.4962 Evaluate side-chains 3547 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 124 poor density : 3423 time to evaluate : 6.719 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 881 optimal weight: 0.3980 chunk 791 optimal weight: 2.9990 chunk 439 optimal weight: 5.9990 chunk 270 optimal weight: 0.7980 chunk 533 optimal weight: 0.8980 chunk 422 optimal weight: 1.9990 chunk 818 optimal weight: 3.9990 chunk 316 optimal weight: 8.9990 chunk 497 optimal weight: 1.9990 chunk 609 optimal weight: 0.3980 chunk 948 optimal weight: 9.9990 overall best weight: 0.8982 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 198 HIS I 203 HIS I 262 GLN I 315 HIS I 348 GLN Q 11 GLN Q 28 HIS Q 105 HIS ** Q 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 113 GLN A 262 GLN A 264 ASN ** A 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 315 HIS A 335 ASN J 48 ASN J 165 ASN ** J 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 426 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 139 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 203 HIS B 262 GLN B 315 HIS ** B 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 37 HIS ** K 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 117 ASN T 129 HIS ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 203 HIS C 262 GLN L 11 GLN ** L 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 423 GLN ** L 426 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 117 ASN ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 255 ASN ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 262 GLN D 315 HIS D 335 ASN M 99 ASN M 105 HIS ** M 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 298 ASN M 337 ASN M 396 HIS M 424 GLN E 145 HIS E 262 GLN E 264 ASN E 315 HIS N 48 ASN ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 426 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 203 HIS F 262 GLN F 315 HIS F 412 HIS O 37 HIS O 52 ASN ** O 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 298 ASN O 337 ASN ** O 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 423 GLN ** O 426 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 129 HIS ** G 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 139 GLN G 198 HIS G 262 GLN G 289 HIS G 315 HIS G 335 ASN P 11 GLN P 105 HIS ** P 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 424 GLN Z 117 ASN Z 255 ASN H 28 HIS ** H 94 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 232 ASN H 262 GLN H 264 ASN H 315 HIS R 11 GLN R 48 ASN R 105 HIS ** R 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 165 ASN ** R 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 426 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 71 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6538 moved from start: 0.2464 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.057 85869 Z= 0.166 Angle : 0.580 12.607 116442 Z= 0.290 Chirality : 0.045 0.233 12780 Planarity : 0.004 0.056 15093 Dihedral : 9.759 134.858 12231 Min Nonbonded Distance : 2.110 Molprobity Statistics. All-atom Clashscore : 9.14 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.36 % Favored : 97.64 % Rotamer: Outliers : 0.12 % Allowed : 3.00 % Favored : 96.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.40 (0.07), residues: 10530 helix: -1.27 (0.07), residues: 4149 sheet: -1.66 (0.11), residues: 1782 loop : -1.72 (0.08), residues: 4599 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.022 0.001 TRP Q 397 HIS 0.020 0.001 HIS F 315 PHE 0.029 0.002 PHE O 260 TYR 0.022 0.001 TYR Q 200 ARG 0.006 0.000 ARG R 162 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3705 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 11 poor density : 3694 time to evaluate : 6.904 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 11 GLN cc_start: 0.5995 (tp-100) cc_final: 0.5138 (tm-30) REVERT: I 15 GLN cc_start: 0.7986 (mm-40) cc_final: 0.7629 (mm110) REVERT: I 16 MET cc_start: 0.8396 (mtm) cc_final: 0.7496 (mtm) REVERT: I 23 LEU cc_start: 0.8582 (tp) cc_final: 0.7543 (tp) REVERT: I 27 GLU cc_start: 0.8002 (mt-10) cc_final: 0.7619 (mt-10) REVERT: I 61 GLU cc_start: 0.6129 (tm-30) cc_final: 0.5812 (tm-30) REVERT: I 96 GLU cc_start: 0.7095 (tt0) cc_final: 0.6797 (tt0) REVERT: I 97 GLN cc_start: 0.6694 (tp40) cc_final: 0.5712 (tp-100) REVERT: I 119 GLU cc_start: 0.7712 (pp20) cc_final: 0.7315 (pp20) REVERT: I 155 PHE cc_start: 0.7632 (t80) cc_final: 0.6722 (t80) REVERT: I 160 MET cc_start: 0.8080 (tmm) cc_final: 0.7220 (tmm) REVERT: I 161 GLU cc_start: 0.8360 (tt0) cc_final: 0.7578 (tm-30) REVERT: I 163 LEU cc_start: 0.8740 (pp) cc_final: 0.7809 (tt) REVERT: I 192 ASN cc_start: 0.8154 (m-40) cc_final: 0.7736 (m-40) REVERT: I 205 ASP cc_start: 0.7830 (m-30) cc_final: 0.7533 (m-30) REVERT: I 215 ILE cc_start: 0.8311 (tt) cc_final: 0.8042 (tt) REVERT: I 216 TYR cc_start: 0.7619 (m-80) cc_final: 0.7152 (m-80) REVERT: I 219 CYS cc_start: 0.7659 (p) cc_final: 0.7363 (p) REVERT: I 223 LEU cc_start: 0.7357 (tp) cc_final: 0.6958 (tp) REVERT: I 235 ARG cc_start: 0.7550 (mtt-85) cc_final: 0.7349 (mtt-85) REVERT: I 262 GLN cc_start: 0.7800 (mp10) cc_final: 0.7273 (mp10) REVERT: I 286 LYS cc_start: 0.8081 (ttmt) cc_final: 0.7670 (tttt) REVERT: I 303 GLU cc_start: 0.7725 (tm-30) cc_final: 0.7492 (tm-30) REVERT: I 311 CYS cc_start: 0.8007 (m) cc_final: 0.7274 (t) REVERT: I 312 ASP cc_start: 0.7358 (t0) cc_final: 0.6703 (t0) REVERT: I 317 LYS cc_start: 0.7114 (mttm) cc_final: 0.6649 (mttm) REVERT: I 344 LYS cc_start: 0.7809 (ttmm) cc_final: 0.7535 (ttmm) REVERT: I 358 LYS cc_start: 0.7086 (tptt) cc_final: 0.6429 (tptt) REVERT: I 379 ARG cc_start: 0.8177 (ptp90) cc_final: 0.7762 (mtm180) REVERT: I 397 LEU cc_start: 0.8804 (mt) cc_final: 0.8572 (mt) REVERT: I 400 LYS cc_start: 0.7887 (ptpt) cc_final: 0.7380 (pttm) REVERT: I 407 LYS cc_start: 0.8473 (mmmt) cc_final: 0.8051 (mmmm) REVERT: I 441 VAL cc_start: 0.8838 (p) cc_final: 0.8499 (p) REVERT: Q 11 GLN cc_start: 0.8082 (tt0) cc_final: 0.6846 (tm-30) REVERT: Q 15 GLN cc_start: 0.8638 (mm110) cc_final: 0.8244 (mm-40) REVERT: Q 20 PHE cc_start: 0.8540 (t80) cc_final: 0.8201 (t80) REVERT: Q 21 TRP cc_start: 0.8513 (m100) cc_final: 0.7305 (m100) REVERT: Q 24 ILE cc_start: 0.8175 (pt) cc_final: 0.7955 (pt) REVERT: Q 31 ASP cc_start: 0.7549 (t0) cc_final: 0.7000 (t70) REVERT: Q 67 ASP cc_start: 0.7536 (t70) cc_final: 0.6207 (t70) REVERT: Q 68 LEU cc_start: 0.7585 (mt) cc_final: 0.7352 (mt) REVERT: Q 69 GLU cc_start: 0.6429 (tm-30) cc_final: 0.5612 (tm-30) REVERT: Q 73 MET cc_start: 0.8664 (mmt) cc_final: 0.7817 (mmt) REVERT: Q 117 LEU cc_start: 0.8179 (mp) cc_final: 0.7642 (mp) REVERT: Q 121 ARG cc_start: 0.8010 (mtt180) cc_final: 0.7484 (mtt-85) REVERT: Q 123 GLU cc_start: 0.8614 (mm-30) cc_final: 0.7978 (mm-30) REVERT: Q 147 MET cc_start: 0.6796 (tmm) cc_final: 0.6207 (tmm) REVERT: Q 158 GLU cc_start: 0.7646 (tt0) cc_final: 0.7290 (tt0) REVERT: Q 164 MET cc_start: 0.7396 (mtp) cc_final: 0.6071 (mtp) REVERT: Q 165 ASN cc_start: 0.7400 (t0) cc_final: 0.6842 (t0) REVERT: Q 178 THR cc_start: 0.7130 (m) cc_final: 0.6681 (m) REVERT: Q 181 GLU cc_start: 0.7300 (mt-10) cc_final: 0.6580 (mt-10) REVERT: Q 187 LEU cc_start: 0.8864 (mt) cc_final: 0.8523 (mt) REVERT: Q 198 GLU cc_start: 0.7161 (pt0) cc_final: 0.6461 (pt0) REVERT: Q 215 LEU cc_start: 0.8413 (tp) cc_final: 0.8161 (tp) REVERT: Q 256 ASN cc_start: 0.8996 (m-40) cc_final: 0.8581 (m-40) REVERT: Q 257 MET cc_start: 0.7544 (mmm) cc_final: 0.6988 (mmm) REVERT: Q 264 HIS cc_start: 0.7691 (p-80) cc_final: 0.7279 (p-80) REVERT: Q 270 PHE cc_start: 0.7260 (t80) cc_final: 0.6989 (t80) REVERT: Q 273 LEU cc_start: 0.8167 (mp) cc_final: 0.7517 (mp) REVERT: Q 297 LYS cc_start: 0.8007 (mmmt) cc_final: 0.7798 (mmmt) REVERT: Q 321 MET cc_start: 0.8333 (ptp) cc_final: 0.7193 (ptp) REVERT: Q 323 MET cc_start: 0.8263 (mmp) cc_final: 0.7740 (mmp) REVERT: Q 324 LYS cc_start: 0.8153 (ttpt) cc_final: 0.7877 (ttpt) REVERT: Q 329 GLN cc_start: 0.7669 (mm-40) cc_final: 0.7138 (mm-40) REVERT: Q 330 MET cc_start: 0.8343 (mmp) cc_final: 0.7800 (mmp) REVERT: Q 331 LEU cc_start: 0.8833 (tp) cc_final: 0.8494 (tp) REVERT: Q 353 VAL cc_start: 0.8139 (p) cc_final: 0.7930 (m) REVERT: Q 354 CYS cc_start: 0.8237 (t) cc_final: 0.7925 (p) REVERT: Q 362 LYS cc_start: 0.7209 (mmmt) cc_final: 0.6598 (mmmt) REVERT: Q 363 MET cc_start: 0.7654 (mmm) cc_final: 0.7000 (mmm) REVERT: Q 367 PHE cc_start: 0.8254 (t80) cc_final: 0.7489 (t80) REVERT: Q 379 LYS cc_start: 0.8311 (mptt) cc_final: 0.7711 (mptt) REVERT: Q 383 GLU cc_start: 0.8281 (mm-30) cc_final: 0.8031 (mm-30) REVERT: Q 388 MET cc_start: 0.8020 (mtp) cc_final: 0.7228 (tpp) REVERT: Q 392 LYS cc_start: 0.8032 (mtmm) cc_final: 0.7711 (mtmm) REVERT: Q 403 MET cc_start: 0.6138 (tpt) cc_final: 0.5807 (tpt) REVERT: Q 404 ASP cc_start: 0.8120 (t0) cc_final: 0.7448 (t0) REVERT: Q 406 MET cc_start: 0.7869 (tpp) cc_final: 0.7466 (tpp) REVERT: Q 407 GLU cc_start: 0.7902 (mt-10) cc_final: 0.7314 (mt-10) REVERT: Q 409 THR cc_start: 0.8417 (m) cc_final: 0.7806 (p) REVERT: Q 415 MET cc_start: 0.7843 (tpt) cc_final: 0.7548 (tpt) REVERT: Q 421 GLU cc_start: 0.7925 (tt0) cc_final: 0.7544 (tt0) REVERT: Q 423 GLN cc_start: 0.8027 (tp40) cc_final: 0.7533 (tp40) REVERT: Y 12 MET cc_start: 0.6586 (mpp) cc_final: 0.6144 (mpp) REVERT: Y 27 ASP cc_start: 0.5073 (m-30) cc_final: 0.4687 (m-30) REVERT: Y 93 HIS cc_start: 0.7653 (t-90) cc_final: 0.6816 (t-90) REVERT: Y 101 ASP cc_start: 0.5401 (t70) cc_final: 0.4682 (t70) REVERT: Y 103 GLU cc_start: 0.7938 (tp30) cc_final: 0.7499 (tp30) REVERT: Y 134 TYR cc_start: 0.5992 (t80) cc_final: 0.5761 (t80) REVERT: Y 178 GLU cc_start: 0.7827 (mt-10) cc_final: 0.7360 (mt-10) REVERT: Y 180 MET cc_start: 0.7864 (mmt) cc_final: 0.7612 (mmp) REVERT: Y 220 GLU cc_start: 0.5644 (mm-30) cc_final: 0.5182 (mm-30) REVERT: Y 274 TYR cc_start: 0.6264 (t80) cc_final: 0.5923 (t80) REVERT: Y 282 MET cc_start: 0.8058 (tpt) cc_final: 0.7640 (tpt) REVERT: A 11 GLN cc_start: 0.5938 (tt0) cc_final: 0.5054 (tm-30) REVERT: A 16 MET cc_start: 0.8240 (mtm) cc_final: 0.7497 (mtm) REVERT: A 22 GLU cc_start: 0.7222 (pt0) cc_final: 0.6619 (pt0) REVERT: A 23 LEU cc_start: 0.8414 (tp) cc_final: 0.8024 (tp) REVERT: A 24 TYR cc_start: 0.7950 (m-80) cc_final: 0.7399 (m-80) REVERT: A 31 GLN cc_start: 0.8055 (mt0) cc_final: 0.7560 (mt0) REVERT: A 79 THR cc_start: 0.7578 (p) cc_final: 0.6990 (p) REVERT: A 93 PHE cc_start: 0.6973 (m-80) cc_final: 0.6346 (m-80) REVERT: A 96 GLU cc_start: 0.7425 (tt0) cc_final: 0.6735 (tt0) REVERT: A 104 ASP cc_start: 0.5179 (t0) cc_final: 0.4815 (t0) REVERT: A 160 MET cc_start: 0.8131 (tmm) cc_final: 0.7487 (tmm) REVERT: A 161 GLU cc_start: 0.8123 (tt0) cc_final: 0.7773 (tt0) REVERT: A 172 LYS cc_start: 0.7386 (mtmm) cc_final: 0.6793 (ptpt) REVERT: A 174 GLU cc_start: 0.7635 (mp0) cc_final: 0.6323 (mp0) REVERT: A 175 PHE cc_start: 0.7451 (m-80) cc_final: 0.7041 (m-10) REVERT: A 189 GLU cc_start: 0.8422 (pt0) cc_final: 0.7980 (mt-10) REVERT: A 198 HIS cc_start: 0.7365 (t-90) cc_final: 0.6949 (t-170) REVERT: A 203 HIS cc_start: 0.8090 (m170) cc_final: 0.6953 (m170) REVERT: A 209 MET cc_start: 0.7932 (mmm) cc_final: 0.6956 (mmm) REVERT: A 218 ILE cc_start: 0.8698 (mm) cc_final: 0.8412 (mm) REVERT: A 235 ARG cc_start: 0.8741 (mtt-85) cc_final: 0.8186 (mtt-85) REVERT: A 277 THR cc_start: 0.6617 (t) cc_final: 0.5752 (p) REVERT: A 309 VAL cc_start: 0.8241 (p) cc_final: 0.7963 (m) REVERT: A 317 LYS cc_start: 0.7343 (mttm) cc_final: 0.7059 (mmtm) REVERT: A 338 ILE cc_start: 0.7644 (pt) cc_final: 0.7328 (pt) REVERT: A 342 LYS cc_start: 0.8586 (mttt) cc_final: 0.8066 (mttt) REVERT: A 344 LYS cc_start: 0.8199 (ttmm) cc_final: 0.7991 (mtpp) REVERT: A 345 ARG cc_start: 0.7641 (mmm160) cc_final: 0.7295 (mmp80) REVERT: A 347 ILE cc_start: 0.6392 (pt) cc_final: 0.5804 (pt) REVERT: A 363 TYR cc_start: 0.7724 (m-80) cc_final: 0.7343 (m-10) REVERT: A 397 LEU cc_start: 0.8950 (mt) cc_final: 0.8738 (mt) REVERT: A 400 LYS cc_start: 0.8246 (ptpt) cc_final: 0.7646 (ptpt) REVERT: A 401 PHE cc_start: 0.8434 (t80) cc_final: 0.7772 (t80) REVERT: A 404 MET cc_start: 0.7969 (mtm) cc_final: 0.7602 (mtm) REVERT: A 405 TYR cc_start: 0.7234 (t80) cc_final: 0.6331 (t80) REVERT: A 407 LYS cc_start: 0.8147 (mmmt) cc_final: 0.7617 (mmmt) REVERT: A 408 ARG cc_start: 0.7584 (mmt180) cc_final: 0.6636 (mmt180) REVERT: A 426 GLU cc_start: 0.7998 (mm-30) cc_final: 0.7578 (mm-30) REVERT: A 430 ASP cc_start: 0.8333 (t0) cc_final: 0.8027 (t0) REVERT: J 3 GLU cc_start: 0.6524 (mp0) cc_final: 0.6309 (mp0) REVERT: J 62 ARG cc_start: 0.6824 (ptp-110) cc_final: 0.6358 (ptp-110) REVERT: J 67 ASP cc_start: 0.6670 (t70) cc_final: 0.6293 (t0) REVERT: J 68 LEU cc_start: 0.6433 (mt) cc_final: 0.6185 (mt) REVERT: J 74 ASP cc_start: 0.7845 (m-30) cc_final: 0.7490 (m-30) REVERT: J 100 ASN cc_start: 0.8555 (t0) cc_final: 0.8039 (t0) REVERT: J 121 ARG cc_start: 0.8546 (mtt180) cc_final: 0.7920 (mtm-85) REVERT: J 123 GLU cc_start: 0.8217 (mm-30) cc_final: 0.7428 (mm-30) REVERT: J 136 THR cc_start: 0.6699 (p) cc_final: 0.6427 (p) REVERT: J 147 MET cc_start: 0.6989 (tmm) cc_final: 0.6677 (tmm) REVERT: J 181 GLU cc_start: 0.6866 (mt-10) cc_final: 0.6464 (mt-10) REVERT: J 195 ASN cc_start: 0.7579 (m-40) cc_final: 0.6487 (m-40) REVERT: J 202 ILE cc_start: 0.7373 (mt) cc_final: 0.6557 (mt) REVERT: J 215 LEU cc_start: 0.7968 (tp) cc_final: 0.7624 (tp) REVERT: J 226 ASN cc_start: 0.7947 (m-40) cc_final: 0.7649 (m-40) REVERT: J 247 ASN cc_start: 0.7212 (m110) cc_final: 0.6715 (m110) REVERT: J 250 LEU cc_start: 0.8484 (mt) cc_final: 0.7722 (tp) REVERT: J 253 LEU cc_start: 0.8053 (mp) cc_final: 0.7549 (mp) REVERT: J 257 MET cc_start: 0.7373 (mmm) cc_final: 0.6478 (mmm) REVERT: J 267 MET cc_start: 0.6865 (ttp) cc_final: 0.6511 (ttp) REVERT: J 273 LEU cc_start: 0.8140 (mt) cc_final: 0.7734 (mt) REVERT: J 292 GLN cc_start: 0.8408 (tt0) cc_final: 0.7909 (tt0) REVERT: J 297 LYS cc_start: 0.7905 (mmmt) cc_final: 0.7406 (mmmt) REVERT: J 299 MET cc_start: 0.6002 (mtm) cc_final: 0.5572 (mtm) REVERT: J 317 PHE cc_start: 0.8322 (m-10) cc_final: 0.8070 (m-10) REVERT: J 321 MET cc_start: 0.8313 (ptp) cc_final: 0.7408 (ptp) REVERT: J 324 LYS cc_start: 0.8304 (ttpt) cc_final: 0.7145 (ttpt) REVERT: J 327 ASP cc_start: 0.8433 (m-30) cc_final: 0.7991 (p0) REVERT: J 328 GLU cc_start: 0.7051 (pp20) cc_final: 0.6678 (pp20) REVERT: J 347 ASN cc_start: 0.7075 (t0) cc_final: 0.6587 (t0) REVERT: J 367 PHE cc_start: 0.8215 (t80) cc_final: 0.7052 (t80) REVERT: J 372 THR cc_start: 0.7854 (p) cc_final: 0.7536 (t) REVERT: J 379 LYS cc_start: 0.7794 (mptt) cc_final: 0.7261 (mptt) REVERT: J 390 ARG cc_start: 0.7823 (ptt90) cc_final: 0.7134 (ptt90) REVERT: J 391 ARG cc_start: 0.6862 (ttt180) cc_final: 0.6476 (ttt180) REVERT: J 407 GLU cc_start: 0.8062 (mt-10) cc_final: 0.7549 (mt-10) REVERT: J 414 ASN cc_start: 0.8844 (m-40) cc_final: 0.8598 (m-40) REVERT: J 415 MET cc_start: 0.8163 (tpt) cc_final: 0.7723 (tpt) REVERT: J 416 ASN cc_start: 0.7705 (p0) cc_final: 0.7484 (p0) REVERT: J 421 GLU cc_start: 0.7695 (tt0) cc_final: 0.7483 (tt0) REVERT: S 36 GLU cc_start: 0.7575 (mt-10) cc_final: 0.7235 (mt-10) REVERT: S 53 GLN cc_start: 0.5050 (mt0) cc_final: 0.4844 (mp10) REVERT: S 82 PHE cc_start: 0.7415 (p90) cc_final: 0.7109 (p90) REVERT: S 103 GLU cc_start: 0.8290 (tp30) cc_final: 0.7654 (tp30) REVERT: S 110 ARG cc_start: 0.4716 (mtt-85) cc_final: 0.4440 (mmt90) REVERT: S 114 ASP cc_start: 0.7920 (t0) cc_final: 0.7323 (p0) REVERT: S 176 PRO cc_start: 0.6016 (Cg_endo) cc_final: 0.5641 (Cg_exo) REVERT: S 178 GLU cc_start: 0.8181 (mt-10) cc_final: 0.7687 (mt-10) REVERT: S 210 ILE cc_start: 0.7268 (mp) cc_final: 0.6842 (mp) REVERT: S 221 GLN cc_start: 0.5711 (pp30) cc_final: 0.5475 (pp30) REVERT: S 229 LEU cc_start: 0.7589 (mp) cc_final: 0.7263 (mp) REVERT: S 282 MET cc_start: 0.8008 (tpt) cc_final: 0.7739 (tpt) REVERT: S 307 TYR cc_start: 0.6796 (t80) cc_final: 0.6026 (t80) REVERT: S 311 GLU cc_start: 0.8719 (pm20) cc_final: 0.8384 (pm20) REVERT: B 11 GLN cc_start: 0.6523 (tp-100) cc_final: 0.5335 (tm-30) REVERT: B 15 GLN cc_start: 0.8655 (mm-40) cc_final: 0.7804 (mm110) REVERT: B 16 MET cc_start: 0.8704 (mtm) cc_final: 0.7998 (mtm) REVERT: B 21 TRP cc_start: 0.8333 (m100) cc_final: 0.8057 (m100) REVERT: B 23 LEU cc_start: 0.8541 (tp) cc_final: 0.8291 (tp) REVERT: B 24 TYR cc_start: 0.8161 (m-80) cc_final: 0.7328 (m-80) REVERT: B 31 GLN cc_start: 0.8116 (mt0) cc_final: 0.7538 (mt0) REVERT: B 96 GLU cc_start: 0.6931 (tt0) cc_final: 0.6213 (tt0) REVERT: B 108 ASN cc_start: 0.7192 (t0) cc_final: 0.6269 (t0) REVERT: B 160 MET cc_start: 0.8052 (tmm) cc_final: 0.7789 (tmm) REVERT: B 175 PHE cc_start: 0.6656 (m-10) cc_final: 0.6243 (m-10) REVERT: B 189 GLU cc_start: 0.7520 (pm20) cc_final: 0.7137 (pm20) REVERT: B 203 HIS cc_start: 0.6892 (m-70) cc_final: 0.6250 (m-70) REVERT: B 218 ILE cc_start: 0.8719 (OUTLIER) cc_final: 0.8467 (mp) REVERT: B 230 TYR cc_start: 0.7656 (m-10) cc_final: 0.7307 (m-80) REVERT: B 232 ASN cc_start: 0.8264 (m-40) cc_final: 0.7252 (m-40) REVERT: B 235 ARG cc_start: 0.7561 (mtt-85) cc_final: 0.6811 (mtt-85) REVERT: B 244 ILE cc_start: 0.8107 (pt) cc_final: 0.7609 (mt) REVERT: B 258 LEU cc_start: 0.7778 (mm) cc_final: 0.7545 (mm) REVERT: B 268 TYR cc_start: 0.8781 (m-80) cc_final: 0.8460 (m-80) REVERT: B 282 ILE cc_start: 0.7800 (tp) cc_final: 0.7404 (tp) REVERT: B 286 LYS cc_start: 0.7952 (ttmt) cc_final: 0.7543 (ttmt) REVERT: B 308 MET cc_start: 0.7901 (mmt) cc_final: 0.7579 (mmp) REVERT: B 318 TYR cc_start: 0.7829 (m-10) cc_final: 0.7445 (m-10) REVERT: B 319 MET cc_start: 0.7341 (mmm) cc_final: 0.5853 (mmm) REVERT: B 344 LYS cc_start: 0.6680 (ttmm) cc_final: 0.6367 (ttmm) REVERT: B 348 GLN cc_start: 0.7571 (pt0) cc_final: 0.7067 (pt0) REVERT: B 379 ARG cc_start: 0.8138 (ptp90) cc_final: 0.7812 (mtm110) REVERT: B 386 ASN cc_start: 0.6903 (t0) cc_final: 0.6333 (t0) REVERT: B 401 PHE cc_start: 0.8224 (t80) cc_final: 0.7956 (t80) REVERT: B 404 MET cc_start: 0.7952 (mtm) cc_final: 0.7309 (mmm) REVERT: B 405 TYR cc_start: 0.7087 (t80) cc_final: 0.6519 (t80) REVERT: B 408 ARG cc_start: 0.6070 (mmt-90) cc_final: 0.5618 (mmt90) REVERT: B 410 PHE cc_start: 0.8168 (m-80) cc_final: 0.7619 (m-10) REVERT: B 412 HIS cc_start: 0.7605 (p90) cc_final: 0.7061 (p90) REVERT: B 426 GLU cc_start: 0.8565 (mm-30) cc_final: 0.8227 (mm-30) REVERT: B 430 ASP cc_start: 0.8616 (t0) cc_final: 0.8390 (t0) REVERT: B 440 GLU cc_start: 0.7118 (mt-10) cc_final: 0.6756 (mt-10) REVERT: K 15 GLN cc_start: 0.8889 (mm-40) cc_final: 0.8473 (mm-40) REVERT: K 20 PHE cc_start: 0.8597 (t80) cc_final: 0.8109 (t80) REVERT: K 21 TRP cc_start: 0.8326 (m100) cc_final: 0.7620 (m100) REVERT: K 27 GLU cc_start: 0.8181 (mt-10) cc_final: 0.7628 (mt-10) REVERT: K 45 GLU cc_start: 0.7467 (tt0) cc_final: 0.7240 (tt0) REVERT: K 69 GLU cc_start: 0.5790 (tm-30) cc_final: 0.4977 (tm-30) REVERT: K 73 MET cc_start: 0.7963 (mmt) cc_final: 0.7464 (mmt) REVERT: K 108 GLU cc_start: 0.7838 (mm-30) cc_final: 0.7290 (mm-30) REVERT: K 112 LEU cc_start: 0.8626 (tp) cc_final: 0.8420 (tp) REVERT: K 123 GLU cc_start: 0.8905 (mm-30) cc_final: 0.8280 (mm-30) REVERT: K 133 PHE cc_start: 0.6961 (m-80) cc_final: 0.6564 (m-80) REVERT: K 147 MET cc_start: 0.7118 (tmm) cc_final: 0.6292 (tmm) REVERT: K 149 THR cc_start: 0.8541 (p) cc_final: 0.8261 (p) REVERT: K 150 LEU cc_start: 0.8204 (tp) cc_final: 0.7985 (tp) REVERT: K 164 MET cc_start: 0.6840 (mtp) cc_final: 0.5986 (mtp) REVERT: K 165 ASN cc_start: 0.7375 (t0) cc_final: 0.6582 (t0) REVERT: K 181 GLU cc_start: 0.7549 (mt-10) cc_final: 0.7027 (mt-10) REVERT: K 183 TYR cc_start: 0.7632 (m-10) cc_final: 0.7403 (m-10) REVERT: K 187 LEU cc_start: 0.8263 (mt) cc_final: 0.7942 (mt) REVERT: K 194 GLU cc_start: 0.7986 (mm-30) cc_final: 0.7572 (mm-30) REVERT: K 195 ASN cc_start: 0.8340 (m-40) cc_final: 0.6853 (m-40) REVERT: K 198 GLU cc_start: 0.7426 (pt0) cc_final: 0.7159 (pt0) REVERT: K 209 ASP cc_start: 0.6745 (t70) cc_final: 0.6279 (t70) REVERT: K 233 MET cc_start: 0.8656 (mtp) cc_final: 0.8329 (mtp) REVERT: K 242 PHE cc_start: 0.8329 (m-80) cc_final: 0.7929 (m-80) REVERT: K 247 ASN cc_start: 0.7710 (m110) cc_final: 0.7279 (m110) REVERT: K 262 ARG cc_start: 0.7240 (mtp85) cc_final: 0.6505 (mtp85) REVERT: K 264 HIS cc_start: 0.7515 (p-80) cc_final: 0.7300 (p-80) REVERT: K 266 PHE cc_start: 0.6844 (m-10) cc_final: 0.6481 (m-10) REVERT: K 273 LEU cc_start: 0.7729 (mt) cc_final: 0.7455 (mt) REVERT: K 281 TYR cc_start: 0.7647 (m-80) cc_final: 0.7349 (m-80) REVERT: K 290 THR cc_start: 0.8229 (m) cc_final: 0.7991 (t) REVERT: K 324 LYS cc_start: 0.7119 (ttpt) cc_final: 0.6633 (ttpt) REVERT: K 327 ASP cc_start: 0.8242 (m-30) cc_final: 0.7674 (p0) REVERT: K 329 GLN cc_start: 0.8290 (mm-40) cc_final: 0.7842 (mm-40) REVERT: K 330 MET cc_start: 0.8150 (mmp) cc_final: 0.7766 (mmp) REVERT: K 331 LEU cc_start: 0.8233 (tp) cc_final: 0.7874 (tp) REVERT: K 349 VAL cc_start: 0.8225 (p) cc_final: 0.7904 (p) REVERT: K 350 LYS cc_start: 0.8257 (tptp) cc_final: 0.7650 (tptp) REVERT: K 362 LYS cc_start: 0.6614 (mmmt) cc_final: 0.6267 (mmmt) REVERT: K 363 MET cc_start: 0.7595 (mmm) cc_final: 0.7155 (mmm) REVERT: K 368 ILE cc_start: 0.7910 (mp) cc_final: 0.7605 (mp) REVERT: K 383 GLU cc_start: 0.8202 (mm-30) cc_final: 0.7804 (mm-30) REVERT: K 385 PHE cc_start: 0.7990 (t80) cc_final: 0.7625 (t80) REVERT: K 389 PHE cc_start: 0.8247 (t80) cc_final: 0.7729 (t80) REVERT: K 391 ARG cc_start: 0.5276 (ptt90) cc_final: 0.5000 (ptt90) REVERT: K 404 ASP cc_start: 0.7608 (t0) cc_final: 0.6952 (p0) REVERT: K 408 PHE cc_start: 0.8419 (m-80) cc_final: 0.7542 (m-80) REVERT: K 414 ASN cc_start: 0.8636 (m-40) cc_final: 0.8294 (m-40) REVERT: K 415 MET cc_start: 0.8000 (tpt) cc_final: 0.7729 (tpt) REVERT: K 421 GLU cc_start: 0.7800 (tt0) cc_final: 0.7098 (tt0) REVERT: T 22 GLU cc_start: 0.6819 (mt-10) cc_final: 0.6426 (mt-10) REVERT: T 41 ILE cc_start: 0.6570 (mm) cc_final: 0.5938 (mm) REVERT: T 46 TYR cc_start: 0.5598 (m-80) cc_final: 0.4680 (m-80) REVERT: T 71 LYS cc_start: 0.7939 (tttt) cc_final: 0.7602 (tttt) REVERT: T 74 LEU cc_start: 0.7999 (mt) cc_final: 0.7752 (mt) REVERT: T 95 MET cc_start: 0.6716 (mtt) cc_final: 0.6390 (mtt) REVERT: T 228 TYR cc_start: 0.6034 (m-80) cc_final: 0.5080 (m-80) REVERT: T 256 LYS cc_start: 0.7754 (mmmt) cc_final: 0.7134 (mmmt) REVERT: T 313 LYS cc_start: 0.7698 (mtmt) cc_final: 0.7387 (tppt) REVERT: T 316 LEU cc_start: 0.8251 (mp) cc_final: 0.7891 (mp) REVERT: C 11 GLN cc_start: 0.6614 (tp-100) cc_final: 0.5909 (tp-100) REVERT: C 15 GLN cc_start: 0.8325 (mm-40) cc_final: 0.8048 (mm-40) REVERT: C 16 MET cc_start: 0.8749 (mtm) cc_final: 0.8468 (mtm) REVERT: C 18 ASN cc_start: 0.8548 (t0) cc_final: 0.8243 (t0) REVERT: C 23 LEU cc_start: 0.8428 (tp) cc_final: 0.7523 (tp) REVERT: C 27 GLU cc_start: 0.8379 (mt-10) cc_final: 0.7903 (mt-10) REVERT: C 31 GLN cc_start: 0.7985 (mt0) cc_final: 0.7588 (mt0) REVERT: C 107 ASN cc_start: 0.7340 (m110) cc_final: 0.6953 (m-40) REVERT: C 108 ASN cc_start: 0.7057 (t0) cc_final: 0.6327 (t0) REVERT: C 160 MET cc_start: 0.8075 (tmm) cc_final: 0.7660 (tmm) REVERT: C 189 GLU cc_start: 0.8088 (pm20) cc_final: 0.7407 (pm20) REVERT: C 192 ASN cc_start: 0.8363 (m-40) cc_final: 0.8076 (m-40) REVERT: C 206 CYS cc_start: 0.7468 (p) cc_final: 0.7238 (p) REVERT: C 232 ASN cc_start: 0.8337 (m-40) cc_final: 0.7928 (m-40) REVERT: C 250 PHE cc_start: 0.7017 (m-80) cc_final: 0.6500 (m-80) REVERT: C 277 THR cc_start: 0.7343 (t) cc_final: 0.6237 (p) REVERT: C 282 ILE cc_start: 0.7178 (tp) cc_final: 0.6972 (tp) REVERT: C 290 GLU cc_start: 0.5973 (tm-30) cc_final: 0.5252 (tm-30) REVERT: C 308 MET cc_start: 0.7413 (mpp) cc_final: 0.7066 (mpp) REVERT: C 312 ASP cc_start: 0.7558 (t0) cc_final: 0.7168 (p0) REVERT: C 319 MET cc_start: 0.7317 (mmm) cc_final: 0.7006 (mmm) REVERT: C 338 ILE cc_start: 0.8649 (pt) cc_final: 0.8400 (pt) REVERT: C 404 MET cc_start: 0.7966 (mtm) cc_final: 0.7295 (mmm) REVERT: C 408 ARG cc_start: 0.6659 (mmt-90) cc_final: 0.6136 (mmt180) REVERT: C 414 TYR cc_start: 0.8431 (m-80) cc_final: 0.8225 (m-80) REVERT: C 423 GLU cc_start: 0.8238 (pm20) cc_final: 0.7497 (pm20) REVERT: C 440 GLU cc_start: 0.7073 (mt-10) cc_final: 0.6661 (mt-10) REVERT: L 22 GLU cc_start: 0.8385 (tt0) cc_final: 0.8089 (tp30) REVERT: L 27 GLU cc_start: 0.8390 (mt-10) cc_final: 0.8030 (mt-10) REVERT: L 57 ASN cc_start: 0.7983 (m-40) cc_final: 0.7773 (m-40) REVERT: L 68 LEU cc_start: 0.8419 (mt) cc_final: 0.8174 (mt) REVERT: L 73 MET cc_start: 0.8137 (mmt) cc_final: 0.7843 (mmt) REVERT: L 92 PHE cc_start: 0.8292 (p90) cc_final: 0.7833 (p90) REVERT: L 100 ASN cc_start: 0.7723 (t0) cc_final: 0.7085 (p0) REVERT: L 147 MET cc_start: 0.7186 (tmm) cc_final: 0.6665 (tmm) REVERT: L 154 LYS cc_start: 0.8716 (mmtt) cc_final: 0.7889 (mmtt) REVERT: L 157 GLU cc_start: 0.8285 (mt-10) cc_final: 0.7898 (mt-10) REVERT: L 165 ASN cc_start: 0.7226 (t0) cc_final: 0.6005 (t0) REVERT: L 166 THR cc_start: 0.7161 (p) cc_final: 0.6687 (p) REVERT: L 181 GLU cc_start: 0.7157 (mt-10) cc_final: 0.6741 (mt-10) REVERT: L 186 THR cc_start: 0.7898 (p) cc_final: 0.7583 (t) REVERT: L 187 LEU cc_start: 0.8116 (mt) cc_final: 0.7610 (mt) REVERT: L 191 GLN cc_start: 0.8308 (mp-120) cc_final: 0.7390 (mp-120) REVERT: L 198 GLU cc_start: 0.7398 (pt0) cc_final: 0.7148 (pt0) REVERT: L 200 TYR cc_start: 0.7587 (m-80) cc_final: 0.7152 (m-80) REVERT: L 227 HIS cc_start: 0.7576 (m90) cc_final: 0.7375 (m90) REVERT: L 233 MET cc_start: 0.8820 (mtp) cc_final: 0.8291 (mtp) REVERT: L 241 ARG cc_start: 0.7423 (mtm110) cc_final: 0.6747 (ttm110) REVERT: L 242 PHE cc_start: 0.8238 (m-80) cc_final: 0.7931 (m-80) REVERT: L 253 LEU cc_start: 0.8593 (mp) cc_final: 0.8267 (mp) REVERT: L 256 ASN cc_start: 0.8359 (m-40) cc_final: 0.7748 (m-40) REVERT: L 257 MET cc_start: 0.7547 (mmm) cc_final: 0.7168 (mmm) REVERT: L 280 GLN cc_start: 0.8693 (mp10) cc_final: 0.7996 (mp10) REVERT: L 289 LEU cc_start: 0.8857 (mt) cc_final: 0.7822 (mt) REVERT: L 293 MET cc_start: 0.7298 (mmm) cc_final: 0.6622 (mmm) REVERT: L 297 LYS cc_start: 0.8504 (mmmt) cc_final: 0.8199 (tmmt) REVERT: L 323 MET cc_start: 0.7781 (mmp) cc_final: 0.7099 (mmp) REVERT: L 327 ASP cc_start: 0.8563 (m-30) cc_final: 0.8018 (p0) REVERT: L 329 GLN cc_start: 0.8342 (mm-40) cc_final: 0.8124 (mm-40) REVERT: L 347 ASN cc_start: 0.6085 (t0) cc_final: 0.5201 (t0) REVERT: L 349 VAL cc_start: 0.8137 (p) cc_final: 0.7749 (m) REVERT: L 362 LYS cc_start: 0.6737 (mmmt) cc_final: 0.6134 (mmmt) REVERT: L 367 PHE cc_start: 0.8256 (t80) cc_final: 0.7657 (t80) REVERT: L 389 PHE cc_start: 0.8507 (t80) cc_final: 0.8104 (t80) REVERT: L 396 HIS cc_start: 0.6634 (p-80) cc_final: 0.6347 (p-80) REVERT: L 406 MET cc_start: 0.8182 (mtt) cc_final: 0.7901 (mtt) REVERT: L 408 PHE cc_start: 0.7956 (m-80) cc_final: 0.7351 (m-80) REVERT: L 414 ASN cc_start: 0.8185 (m-40) cc_final: 0.7796 (m110) REVERT: L 415 MET cc_start: 0.8026 (tpt) cc_final: 0.7811 (tpt) REVERT: U 22 GLU cc_start: 0.6467 (mt-10) cc_final: 0.6127 (mt-10) REVERT: U 41 ILE cc_start: 0.6692 (mm) cc_final: 0.6284 (mm) REVERT: U 46 TYR cc_start: 0.5606 (m-80) cc_final: 0.4356 (m-80) REVERT: U 71 LYS cc_start: 0.8188 (tttt) cc_final: 0.7945 (tttt) REVERT: U 103 GLU cc_start: 0.7675 (tp30) cc_final: 0.7250 (tp30) REVERT: U 228 TYR cc_start: 0.5590 (m-80) cc_final: 0.4817 (m-80) REVERT: U 302 CYS cc_start: 0.6936 (p) cc_final: 0.6484 (p) REVERT: U 307 TYR cc_start: 0.7844 (t80) cc_final: 0.6945 (t80) REVERT: U 313 LYS cc_start: 0.7556 (ttmt) cc_final: 0.7170 (tppt) REVERT: U 316 LEU cc_start: 0.8052 (mp) cc_final: 0.7767 (mp) REVERT: U 321 ARG cc_start: 0.7388 (mtm180) cc_final: 0.6831 (mtm180) REVERT: D 11 GLN cc_start: 0.5925 (tp-100) cc_final: 0.4322 (tm-30) REVERT: D 15 GLN cc_start: 0.8166 (mm-40) cc_final: 0.7236 (mm-40) REVERT: D 16 MET cc_start: 0.7950 (mtm) cc_final: 0.7007 (mtm) REVERT: D 23 LEU cc_start: 0.8480 (tp) cc_final: 0.7589 (tp) REVERT: D 31 GLN cc_start: 0.7547 (mt0) cc_final: 0.7136 (mt0) REVERT: D 57 THR cc_start: 0.7942 (p) cc_final: 0.7610 (t) REVERT: D 72 VAL cc_start: 0.7409 (m) cc_final: 0.6854 (p) REVERT: D 73 PHE cc_start: 0.8041 (m-10) cc_final: 0.7547 (m-10) REVERT: D 93 PHE cc_start: 0.7164 (m-80) cc_final: 0.6960 (m-80) REVERT: D 119 GLU cc_start: 0.7885 (pp20) cc_final: 0.7521 (pp20) REVERT: D 160 MET cc_start: 0.7909 (tmm) cc_final: 0.7339 (tmm) REVERT: D 205 ASP cc_start: 0.7632 (m-30) cc_final: 0.6634 (m-30) REVERT: D 206 CYS cc_start: 0.7146 (p) cc_final: 0.6909 (p) REVERT: D 217 ASP cc_start: 0.7299 (t0) cc_final: 0.6960 (t0) REVERT: D 250 PHE cc_start: 0.6684 (m-80) cc_final: 0.6411 (m-80) REVERT: D 257 ASP cc_start: 0.7109 (p0) cc_final: 0.6447 (p0) REVERT: D 275 LEU cc_start: 0.7551 (pp) cc_final: 0.7341 (pp) REVERT: D 282 ILE cc_start: 0.7681 (tp) cc_final: 0.7208 (tp) REVERT: D 308 MET cc_start: 0.7197 (mmt) cc_final: 0.6899 (mmt) REVERT: D 312 ASP cc_start: 0.7448 (t0) cc_final: 0.6137 (t0) REVERT: D 317 LYS cc_start: 0.7502 (mttm) cc_final: 0.6933 (mttm) REVERT: D 319 MET cc_start: 0.7007 (mmm) cc_final: 0.6439 (mmm) REVERT: D 325 TYR cc_start: 0.7987 (m-10) cc_final: 0.7715 (m-10) REVERT: D 344 LYS cc_start: 0.7947 (ttmm) cc_final: 0.7621 (ttmm) REVERT: D 348 GLN cc_start: 0.8056 (pt0) cc_final: 0.7327 (mp10) REVERT: D 350 VAL cc_start: 0.8826 (p) cc_final: 0.8402 (p) REVERT: D 376 LYS cc_start: 0.8174 (tmtt) cc_final: 0.7842 (tptp) REVERT: D 378 GLN cc_start: 0.7919 (mm110) cc_final: 0.6947 (mm-40) REVERT: D 379 ARG cc_start: 0.8152 (ptp90) cc_final: 0.7602 (mtm180) REVERT: D 382 CYS cc_start: 0.7023 (p) cc_final: 0.6625 (p) REVERT: D 383 MET cc_start: 0.6692 (ttp) cc_final: 0.6297 (ttp) REVERT: D 386 ASN cc_start: 0.7335 (t0) cc_final: 0.6915 (t0) REVERT: D 396 ARG cc_start: 0.8090 (ttp-110) cc_final: 0.7697 (ttp-110) REVERT: D 400 LYS cc_start: 0.8207 (ptpt) cc_final: 0.7624 (ptpp) REVERT: D 401 PHE cc_start: 0.8591 (t80) cc_final: 0.7940 (t80) REVERT: D 404 MET cc_start: 0.8416 (mtm) cc_final: 0.7471 (mmm) REVERT: D 437 ASP cc_start: 0.7636 (m-30) cc_final: 0.7042 (m-30) REVERT: D 440 GLU cc_start: 0.7342 (mt-10) cc_final: 0.7119 (mt-10) REVERT: M 11 GLN cc_start: 0.7674 (tt0) cc_final: 0.6557 (tm-30) REVERT: M 24 ILE cc_start: 0.8148 (pt) cc_final: 0.7470 (pt) REVERT: M 27 GLU cc_start: 0.8424 (mt-10) cc_final: 0.8015 (mt-10) REVERT: M 31 ASP cc_start: 0.7619 (t0) cc_final: 0.7202 (t70) REVERT: M 53 GLU cc_start: 0.4378 (tp30) cc_final: 0.4038 (tp30) REVERT: M 59 TYR cc_start: 0.7527 (m-10) cc_final: 0.6822 (m-10) REVERT: M 62 ARG cc_start: 0.7579 (ttp-110) cc_final: 0.6929 (ttm110) REVERT: M 69 GLU cc_start: 0.6013 (tm-30) cc_final: 0.5709 (tm-30) REVERT: M 73 MET cc_start: 0.8424 (mmt) cc_final: 0.7682 (mmt) REVERT: M 113 VAL cc_start: 0.8726 (p) cc_final: 0.8427 (m) REVERT: M 117 LEU cc_start: 0.8140 (mp) cc_final: 0.7391 (mp) REVERT: M 121 ARG cc_start: 0.8083 (mtt180) cc_final: 0.7753 (mtt-85) REVERT: M 134 GLN cc_start: 0.7154 (tp-100) cc_final: 0.6787 (tp-100) REVERT: M 149 THR cc_start: 0.8441 (p) cc_final: 0.7619 (p) REVERT: M 150 LEU cc_start: 0.8380 (tp) cc_final: 0.8123 (tp) REVERT: M 151 LEU cc_start: 0.8158 (pp) cc_final: 0.7774 (pp) REVERT: M 158 GLU cc_start: 0.7665 (tt0) cc_final: 0.7270 (tt0) REVERT: M 164 MET cc_start: 0.7062 (mtp) cc_final: 0.6024 (mtp) REVERT: M 178 THR cc_start: 0.7557 (t) cc_final: 0.7113 (p) REVERT: M 181 GLU cc_start: 0.7178 (mt-10) cc_final: 0.6624 (mt-10) REVERT: M 183 TYR cc_start: 0.7162 (m-10) cc_final: 0.6801 (m-80) REVERT: M 191 GLN cc_start: 0.7920 (mm-40) cc_final: 0.7303 (mt0) REVERT: M 195 ASN cc_start: 0.7996 (m-40) cc_final: 0.6892 (m110) REVERT: M 198 GLU cc_start: 0.6628 (pt0) cc_final: 0.5734 (pt0) REVERT: M 202 ILE cc_start: 0.6051 (mt) cc_final: 0.5686 (mt) REVERT: M 207 LEU cc_start: 0.8667 (mt) cc_final: 0.8173 (mt) REVERT: M 215 LEU cc_start: 0.8835 (tp) cc_final: 0.8253 (tp) REVERT: M 217 LEU cc_start: 0.8576 (mt) cc_final: 0.8083 (mt) REVERT: M 233 MET cc_start: 0.8513 (mtp) cc_final: 0.7896 (mtp) REVERT: M 257 MET cc_start: 0.7646 (mmm) cc_final: 0.6859 (mmm) REVERT: M 262 ARG cc_start: 0.7642 (mtp85) cc_final: 0.6957 (mtp180) REVERT: M 264 HIS cc_start: 0.7917 (p-80) cc_final: 0.6848 (p-80) REVERT: M 267 MET cc_start: 0.7416 (mtp) cc_final: 0.7201 (mtp) REVERT: M 274 THR cc_start: 0.8138 (p) cc_final: 0.7927 (p) REVERT: M 290 THR cc_start: 0.8277 (m) cc_final: 0.7650 (p) REVERT: M 297 LYS cc_start: 0.8279 (mmmt) cc_final: 0.7657 (mmmt) REVERT: M 300 MET cc_start: 0.5920 (mpp) cc_final: 0.5608 (mpp) REVERT: M 323 MET cc_start: 0.7637 (mmp) cc_final: 0.7221 (mmp) REVERT: M 324 LYS cc_start: 0.7947 (ttpt) cc_final: 0.7479 (ttpt) REVERT: M 327 ASP cc_start: 0.8726 (m-30) cc_final: 0.8441 (m-30) REVERT: M 336 LYS cc_start: 0.8173 (ptpp) cc_final: 0.7551 (mtmm) REVERT: M 337 ASN cc_start: 0.7828 (m110) cc_final: 0.6858 (t0) REVERT: M 348 ASN cc_start: 0.8040 (m-40) cc_final: 0.7409 (m-40) REVERT: M 362 LYS cc_start: 0.7354 (mmmt) cc_final: 0.6691 (mmmt) REVERT: M 388 MET cc_start: 0.8190 (mtp) cc_final: 0.7614 (mmt) REVERT: M 392 LYS cc_start: 0.7999 (mtmm) cc_final: 0.7457 (mtmm) REVERT: M 395 LEU cc_start: 0.8332 (mt) cc_final: 0.7916 (mt) REVERT: M 397 TRP cc_start: 0.6994 (m100) cc_final: 0.6759 (m100) REVERT: M 407 GLU cc_start: 0.8102 (mt-10) cc_final: 0.7098 (mt-10) REVERT: M 410 GLU cc_start: 0.7785 (mt-10) cc_final: 0.7399 (mt-10) REVERT: M 414 ASN cc_start: 0.8214 (m-40) cc_final: 0.7706 (m-40) REVERT: M 415 MET cc_start: 0.7622 (tpt) cc_final: 0.7383 (tpt) REVERT: M 421 GLU cc_start: 0.8017 (tt0) cc_final: 0.7585 (tt0) REVERT: M 426 GLN cc_start: 0.7222 (tp40) cc_final: 0.6910 (tp40) REVERT: V 22 GLU cc_start: 0.7718 (mt-10) cc_final: 0.7438 (mt-10) REVERT: V 37 ASP cc_start: 0.6448 (p0) cc_final: 0.6039 (p0) REVERT: V 46 TYR cc_start: 0.6519 (m-80) cc_final: 0.5773 (m-80) REVERT: V 67 LYS cc_start: 0.8106 (tptt) cc_final: 0.7777 (tptt) REVERT: V 95 MET cc_start: 0.7269 (mtt) cc_final: 0.6854 (mtt) REVERT: V 129 HIS cc_start: 0.5583 (m-70) cc_final: 0.5306 (m-70) REVERT: V 180 MET cc_start: 0.7745 (mpp) cc_final: 0.7486 (mpp) REVERT: V 220 GLU cc_start: 0.5611 (mm-30) cc_final: 0.5270 (mm-30) REVERT: V 230 VAL cc_start: 0.7231 (t) cc_final: 0.6923 (t) REVERT: V 278 ARG cc_start: 0.6538 (mtt180) cc_final: 0.5683 (mtt180) REVERT: V 284 ARG cc_start: 0.8162 (mtp85) cc_final: 0.7690 (mtp85) REVERT: V 311 GLU cc_start: 0.8184 (pm20) cc_final: 0.7867 (pm20) REVERT: E 11 GLN cc_start: 0.5746 (tt0) cc_final: 0.5143 (tp-100) REVERT: E 16 MET cc_start: 0.8313 (mtm) cc_final: 0.7279 (mtm) REVERT: E 23 LEU cc_start: 0.8330 (tp) cc_final: 0.8018 (tp) REVERT: E 31 GLN cc_start: 0.7476 (mt0) cc_final: 0.7151 (mt0) REVERT: E 104 ASP cc_start: 0.4862 (t0) cc_final: 0.4451 (t0) REVERT: E 145 HIS cc_start: 0.7457 (p-80) cc_final: 0.7173 (p-80) REVERT: E 161 GLU cc_start: 0.7983 (tt0) cc_final: 0.7732 (tt0) REVERT: E 171 SER cc_start: 0.7580 (p) cc_final: 0.7173 (p) REVERT: E 172 LYS cc_start: 0.7557 (mtmm) cc_final: 0.6727 (ptpt) REVERT: E 175 PHE cc_start: 0.7025 (m-80) cc_final: 0.6631 (m-80) REVERT: E 188 VAL cc_start: 0.8630 (t) cc_final: 0.8059 (p) REVERT: E 189 GLU cc_start: 0.8296 (mt-10) cc_final: 0.7874 (mt-10) REVERT: E 198 HIS cc_start: 0.7763 (t-90) cc_final: 0.7208 (t-170) REVERT: E 216 TYR cc_start: 0.7815 (m-80) cc_final: 0.7431 (m-80) REVERT: E 221 ARG cc_start: 0.7203 (mtm110) cc_final: 0.6875 (ttp-110) REVERT: E 232 ASN cc_start: 0.8720 (m-40) cc_final: 0.7228 (m-40) REVERT: E 235 ARG cc_start: 0.8613 (mtt-85) cc_final: 0.7802 (mtt-85) REVERT: E 245 THR cc_start: 0.8119 (t) cc_final: 0.7917 (p) REVERT: E 258 LEU cc_start: 0.8599 (mt) cc_final: 0.8274 (mt) REVERT: E 272 HIS cc_start: 0.7937 (p90) cc_final: 0.7105 (p90) REVERT: E 308 MET cc_start: 0.7481 (mpp) cc_final: 0.7079 (mpp) REVERT: E 309 VAL cc_start: 0.8173 (p) cc_final: 0.7965 (m) REVERT: E 311 CYS cc_start: 0.7579 (m) cc_final: 0.7263 (m) REVERT: E 312 ASP cc_start: 0.7104 (t70) cc_final: 0.6748 (t70) REVERT: E 344 LYS cc_start: 0.8445 (tttp) cc_final: 0.8069 (mtpp) REVERT: E 347 ILE cc_start: 0.7145 (pt) cc_final: 0.6603 (pt) REVERT: E 348 GLN cc_start: 0.7364 (pp30) cc_final: 0.7064 (mp10) REVERT: E 397 LEU cc_start: 0.9112 (mt) cc_final: 0.8865 (mt) REVERT: E 401 PHE cc_start: 0.8446 (t80) cc_final: 0.7546 (t80) REVERT: E 402 ASP cc_start: 0.8020 (m-30) cc_final: 0.7809 (m-30) REVERT: E 405 TYR cc_start: 0.7291 (t80) cc_final: 0.7064 (t80) REVERT: E 407 LYS cc_start: 0.8387 (mmmt) cc_final: 0.7433 (mmmt) REVERT: E 408 ARG cc_start: 0.7391 (mmt-90) cc_final: 0.7117 (mmt-90) REVERT: E 413 TRP cc_start: 0.7684 (m100) cc_final: 0.7359 (m100) REVERT: E 434 LEU cc_start: 0.8780 (mm) cc_final: 0.8491 (tp) REVERT: N 3 GLU cc_start: 0.7185 (mp0) cc_final: 0.6670 (mp0) REVERT: N 20 PHE cc_start: 0.8941 (t80) cc_final: 0.8666 (t80) REVERT: N 21 TRP cc_start: 0.8199 (m100) cc_final: 0.7873 (m100) REVERT: N 24 ILE cc_start: 0.8535 (pt) cc_final: 0.7903 (pt) REVERT: N 27 GLU cc_start: 0.7881 (mt-10) cc_final: 0.7475 (mt-10) REVERT: N 67 ASP cc_start: 0.6504 (t70) cc_final: 0.5421 (t70) REVERT: N 73 MET cc_start: 0.8543 (mmt) cc_final: 0.8058 (mmt) REVERT: N 77 ARG cc_start: 0.8039 (ttm110) cc_final: 0.7552 (ttm110) REVERT: N 89 ASN cc_start: 0.8405 (m-40) cc_final: 0.8076 (m110) REVERT: N 100 ASN cc_start: 0.8561 (t0) cc_final: 0.8233 (t0) REVERT: N 105 HIS cc_start: 0.7517 (t-90) cc_final: 0.7314 (t-90) REVERT: N 123 GLU cc_start: 0.8115 (mm-30) cc_final: 0.7416 (mm-30) REVERT: N 128 ASP cc_start: 0.7452 (p0) cc_final: 0.6578 (p0) REVERT: N 129 CYS cc_start: 0.6964 (m) cc_final: 0.6025 (p) REVERT: N 147 MET cc_start: 0.7077 (tmm) cc_final: 0.6468 (tmm) REVERT: N 151 LEU cc_start: 0.8599 (pp) cc_final: 0.8272 (pp) REVERT: N 154 LYS cc_start: 0.8510 (mmpt) cc_final: 0.8055 (mmpt) REVERT: N 158 GLU cc_start: 0.8036 (tt0) cc_final: 0.7565 (tt0) REVERT: N 159 TYR cc_start: 0.8333 (m-80) cc_final: 0.7539 (m-80) REVERT: N 164 MET cc_start: 0.6310 (mtp) cc_final: 0.6079 (mtp) REVERT: N 181 GLU cc_start: 0.7290 (mt-10) cc_final: 0.7004 (mt-10) REVERT: N 197 ASP cc_start: 0.6431 (m-30) cc_final: 0.5794 (m-30) REVERT: N 233 MET cc_start: 0.8713 (mtp) cc_final: 0.8278 (mtp) REVERT: N 237 THR cc_start: 0.7753 (t) cc_final: 0.6664 (t) REVERT: N 241 ARG cc_start: 0.7786 (mtm110) cc_final: 0.7579 (ptp-110) REVERT: N 242 PHE cc_start: 0.8448 (m-80) cc_final: 0.7961 (m-80) REVERT: N 247 ASN cc_start: 0.7216 (m110) cc_final: 0.6996 (m110) REVERT: N 253 LEU cc_start: 0.8135 (mp) cc_final: 0.7869 (mp) REVERT: N 257 MET cc_start: 0.6750 (mtt) cc_final: 0.6120 (mtt) REVERT: N 262 ARG cc_start: 0.7643 (mtp85) cc_final: 0.7275 (mtt180) REVERT: N 264 HIS cc_start: 0.8005 (p-80) cc_final: 0.7065 (p-80) REVERT: N 282 ARG cc_start: 0.7977 (ttt90) cc_final: 0.6542 (ttt180) REVERT: N 292 GLN cc_start: 0.8492 (tt0) cc_final: 0.7773 (tt0) REVERT: N 297 LYS cc_start: 0.7748 (mmmt) cc_final: 0.7287 (mmmt) REVERT: N 323 MET cc_start: 0.7859 (mmp) cc_final: 0.7204 (mmp) REVERT: N 324 LYS cc_start: 0.8159 (ttpt) cc_final: 0.6311 (ttpt) REVERT: N 326 VAL cc_start: 0.9075 (t) cc_final: 0.8309 (t) REVERT: N 327 ASP cc_start: 0.8860 (m-30) cc_final: 0.8311 (p0) REVERT: N 328 GLU cc_start: 0.7214 (pp20) cc_final: 0.6725 (pp20) REVERT: N 330 MET cc_start: 0.8255 (mmp) cc_final: 0.7835 (mmp) REVERT: N 344 TRP cc_start: 0.6761 (p-90) cc_final: 0.5908 (p-90) REVERT: N 347 ASN cc_start: 0.7109 (t0) cc_final: 0.6826 (t0) REVERT: N 350 LYS cc_start: 0.8091 (tmtt) cc_final: 0.7860 (tmtt) REVERT: N 362 LYS cc_start: 0.7670 (mmmt) cc_final: 0.6923 (mmmt) REVERT: N 363 MET cc_start: 0.7672 (mmm) cc_final: 0.7074 (mmt) REVERT: N 367 PHE cc_start: 0.8116 (t80) cc_final: 0.7402 (t80) REVERT: N 372 THR cc_start: 0.7644 (p) cc_final: 0.7375 (t) REVERT: N 379 LYS cc_start: 0.7829 (mptt) cc_final: 0.7462 (mptt) REVERT: N 381 ILE cc_start: 0.8153 (mm) cc_final: 0.7863 (mm) REVERT: N 386 THR cc_start: 0.8022 (m) cc_final: 0.7076 (t) REVERT: N 388 MET cc_start: 0.7979 (mtp) cc_final: 0.7067 (mmp) REVERT: N 390 ARG cc_start: 0.7667 (ptt90) cc_final: 0.7315 (ptt90) REVERT: N 391 ARG cc_start: 0.7674 (ttt180) cc_final: 0.7291 (ttt180) REVERT: N 392 LYS cc_start: 0.7476 (mtmm) cc_final: 0.6766 (mmtm) REVERT: N 406 MET cc_start: 0.8124 (tpp) cc_final: 0.7802 (tpp) REVERT: N 413 SER cc_start: 0.7357 (p) cc_final: 0.7107 (p) REVERT: N 415 MET cc_start: 0.8227 (tpt) cc_final: 0.7738 (tpt) REVERT: W 22 GLU cc_start: 0.5411 (pp20) cc_final: 0.4825 (pm20) REVERT: W 67 LYS cc_start: 0.6373 (tptt) cc_final: 0.6149 (mmmt) REVERT: W 91 LYS cc_start: 0.7526 (mtmm) cc_final: 0.7311 (mtmm) REVERT: W 95 MET cc_start: 0.7155 (mtt) cc_final: 0.6597 (mtt) REVERT: W 103 GLU cc_start: 0.7690 (tp30) cc_final: 0.7335 (tp30) REVERT: W 110 ARG cc_start: 0.4386 (mtt-85) cc_final: 0.4102 (mtt-85) REVERT: W 114 ASP cc_start: 0.7873 (t0) cc_final: 0.7284 (p0) REVERT: W 171 ARG cc_start: 0.6675 (mtt180) cc_final: 0.6300 (mtt180) REVERT: W 178 GLU cc_start: 0.7995 (mt-10) cc_final: 0.7369 (mt-10) REVERT: W 185 GLU cc_start: 0.7417 (pp20) cc_final: 0.6482 (pp20) REVERT: W 268 LEU cc_start: 0.7892 (mt) cc_final: 0.7676 (mt) REVERT: W 282 MET cc_start: 0.8295 (tpt) cc_final: 0.8074 (tpt) REVERT: W 311 GLU cc_start: 0.8634 (pm20) cc_final: 0.8268 (pm20) REVERT: F 11 GLN cc_start: 0.6378 (tp40) cc_final: 0.5817 (tp-100) REVERT: F 15 GLN cc_start: 0.8259 (mm-40) cc_final: 0.7816 (mm-40) REVERT: F 16 MET cc_start: 0.8726 (mtm) cc_final: 0.7810 (mtm) REVERT: F 18 ASN cc_start: 0.8551 (t0) cc_final: 0.7728 (t0) REVERT: F 21 TRP cc_start: 0.8173 (m100) cc_final: 0.7301 (m100) REVERT: F 22 GLU cc_start: 0.7337 (pt0) cc_final: 0.7063 (pt0) REVERT: F 23 LEU cc_start: 0.8190 (tp) cc_final: 0.7653 (tp) REVERT: F 24 TYR cc_start: 0.7880 (m-80) cc_final: 0.7479 (m-80) REVERT: F 27 GLU cc_start: 0.8248 (mt-10) cc_final: 0.7830 (mt-10) REVERT: F 36 MET cc_start: 0.6134 (ppp) cc_final: 0.5557 (mtp) REVERT: F 72 VAL cc_start: 0.7545 (m) cc_final: 0.7238 (p) REVERT: F 77 GLU cc_start: 0.6250 (pp20) cc_final: 0.6037 (pp20) REVERT: F 79 THR cc_start: 0.8037 (p) cc_final: 0.7679 (p) REVERT: F 97 GLN cc_start: 0.6574 (mm110) cc_final: 0.6175 (mm-40) REVERT: F 108 ASN cc_start: 0.6851 (t0) cc_final: 0.6077 (t0) REVERT: F 134 GLN cc_start: 0.7575 (pp30) cc_final: 0.7016 (tm-30) REVERT: F 160 MET cc_start: 0.8101 (tmm) cc_final: 0.7595 (tmm) REVERT: F 175 PHE cc_start: 0.6634 (m-10) cc_final: 0.6080 (m-10) REVERT: F 192 ASN cc_start: 0.8052 (m-40) cc_final: 0.7536 (m-40) REVERT: F 194 ILE cc_start: 0.8543 (tt) cc_final: 0.8334 (tt) REVERT: F 215 ILE cc_start: 0.7795 (tt) cc_final: 0.7571 (tp) REVERT: F 217 ASP cc_start: 0.7497 (t70) cc_final: 0.6967 (t70) REVERT: F 230 TYR cc_start: 0.7461 (m-10) cc_final: 0.6222 (m-80) REVERT: F 277 THR cc_start: 0.7482 (t) cc_final: 0.6057 (p) REVERT: F 282 ILE cc_start: 0.7683 (tp) cc_final: 0.7447 (tp) REVERT: F 303 GLU cc_start: 0.8400 (tm-30) cc_final: 0.8090 (tm-30) REVERT: F 308 MET cc_start: 0.7031 (mpp) cc_final: 0.6740 (mpp) REVERT: F 328 ASP cc_start: 0.6550 (p0) cc_final: 0.6206 (p0) REVERT: F 342 LYS cc_start: 0.8552 (mttt) cc_final: 0.8058 (mttt) REVERT: F 405 TYR cc_start: 0.6731 (t80) cc_final: 0.6265 (t80) REVERT: F 426 GLU cc_start: 0.8317 (mm-30) cc_final: 0.7876 (mm-30) REVERT: F 440 GLU cc_start: 0.6654 (mt-10) cc_final: 0.6257 (mt-10) REVERT: O 15 GLN cc_start: 0.8588 (mm110) cc_final: 0.8345 (mm-40) REVERT: O 20 PHE cc_start: 0.8239 (t80) cc_final: 0.7830 (t80) REVERT: O 22 GLU cc_start: 0.8239 (tt0) cc_final: 0.7745 (tp30) REVERT: O 73 MET cc_start: 0.8061 (mmt) cc_final: 0.7372 (mmt) REVERT: O 74 ASP cc_start: 0.7851 (m-30) cc_final: 0.7592 (m-30) REVERT: O 78 SER cc_start: 0.8239 (m) cc_final: 0.7792 (p) REVERT: O 83 GLN cc_start: 0.7853 (mm-40) cc_final: 0.7558 (mm110) REVERT: O 94 GLN cc_start: 0.7383 (tt0) cc_final: 0.7088 (tt0) REVERT: O 112 LEU cc_start: 0.8529 (tp) cc_final: 0.8290 (tp) REVERT: O 123 GLU cc_start: 0.8870 (mm-30) cc_final: 0.8391 (mm-30) REVERT: O 147 MET cc_start: 0.7219 (tmm) cc_final: 0.6896 (tmm) REVERT: O 164 MET cc_start: 0.7147 (mtp) cc_final: 0.6619 (mtp) REVERT: O 181 GLU cc_start: 0.7318 (mt-10) cc_final: 0.6932 (mt-10) REVERT: O 183 TYR cc_start: 0.7820 (m-10) cc_final: 0.7601 (m-80) REVERT: O 187 LEU cc_start: 0.8058 (mt) cc_final: 0.7780 (mt) REVERT: O 191 GLN cc_start: 0.8100 (mm-40) cc_final: 0.7880 (mm-40) REVERT: O 194 GLU cc_start: 0.7851 (mm-30) cc_final: 0.7446 (mm-30) REVERT: O 195 ASN cc_start: 0.7540 (m-40) cc_final: 0.6857 (m-40) REVERT: O 198 GLU cc_start: 0.7578 (pt0) cc_final: 0.7012 (pt0) REVERT: O 200 TYR cc_start: 0.8097 (m-80) cc_final: 0.7297 (m-80) REVERT: O 207 LEU cc_start: 0.8563 (mt) cc_final: 0.8239 (mt) REVERT: O 222 TYR cc_start: 0.7242 (m-80) cc_final: 0.6854 (m-80) REVERT: O 233 MET cc_start: 0.8471 (mtp) cc_final: 0.8174 (mtp) REVERT: O 247 ASN cc_start: 0.7300 (m110) cc_final: 0.7020 (m110) REVERT: O 250 LEU cc_start: 0.8327 (mm) cc_final: 0.7968 (tp) REVERT: O 253 LEU cc_start: 0.8449 (mp) cc_final: 0.7875 (tt) REVERT: O 257 MET cc_start: 0.7272 (mmm) cc_final: 0.6972 (mmm) REVERT: O 286 VAL cc_start: 0.8797 (m) cc_final: 0.8399 (p) REVERT: O 321 MET cc_start: 0.8168 (ptp) cc_final: 0.7252 (ptp) REVERT: O 323 MET cc_start: 0.7606 (mmp) cc_final: 0.5193 (mmp) REVERT: O 327 ASP cc_start: 0.8527 (m-30) cc_final: 0.7738 (p0) REVERT: O 330 MET cc_start: 0.8274 (mmp) cc_final: 0.8018 (mmp) REVERT: O 337 ASN cc_start: 0.6441 (t160) cc_final: 0.5981 (t0) REVERT: O 362 LYS cc_start: 0.6641 (mmmt) cc_final: 0.6261 (mmmt) REVERT: O 363 MET cc_start: 0.7372 (mmm) cc_final: 0.6651 (mmm) REVERT: O 366 THR cc_start: 0.8127 (t) cc_final: 0.7889 (m) REVERT: O 367 PHE cc_start: 0.7841 (t80) cc_final: 0.7482 (t80) REVERT: O 396 HIS cc_start: 0.6957 (p-80) cc_final: 0.6754 (p90) REVERT: O 414 ASN cc_start: 0.8109 (m-40) cc_final: 0.7735 (m110) REVERT: O 422 TYR cc_start: 0.6748 (m-80) cc_final: 0.6479 (m-80) REVERT: X 17 PRO cc_start: 0.6811 (Cg_endo) cc_final: 0.6573 (Cg_exo) REVERT: X 36 GLU cc_start: 0.6322 (mt-10) cc_final: 0.5928 (mt-10) REVERT: X 52 PHE cc_start: 0.4869 (m-80) cc_final: 0.4179 (m-80) REVERT: X 61 VAL cc_start: 0.6840 (t) cc_final: 0.6634 (t) REVERT: X 91 LYS cc_start: 0.8267 (mttp) cc_final: 0.7441 (mttp) REVERT: X 127 GLU cc_start: 0.5718 (tt0) cc_final: 0.5457 (tt0) REVERT: X 302 CYS cc_start: 0.7142 (m) cc_final: 0.6773 (m) REVERT: X 318 PHE cc_start: 0.8017 (t80) cc_final: 0.7758 (t80) REVERT: G 7 VAL cc_start: 0.6717 (OUTLIER) cc_final: 0.6273 (p) REVERT: G 11 GLN cc_start: 0.5402 (tp-100) cc_final: 0.4719 (tm-30) REVERT: G 16 MET cc_start: 0.8129 (mtm) cc_final: 0.7207 (mtm) REVERT: G 23 LEU cc_start: 0.7959 (tp) cc_final: 0.7651 (tp) REVERT: G 27 GLU cc_start: 0.7717 (mt-10) cc_final: 0.7424 (mt-10) REVERT: G 31 GLN cc_start: 0.6867 (mt0) cc_final: 0.6561 (mt0) REVERT: G 57 THR cc_start: 0.7561 (p) cc_final: 0.7293 (t) REVERT: G 72 VAL cc_start: 0.6950 (m) cc_final: 0.6505 (p) REVERT: G 93 PHE cc_start: 0.7108 (m-80) cc_final: 0.6593 (m-80) REVERT: G 134 GLN cc_start: 0.8372 (tm-30) cc_final: 0.8152 (tm-30) REVERT: G 169 LYS cc_start: 0.8447 (ptpp) cc_final: 0.8166 (ptpp) REVERT: G 174 GLU cc_start: 0.6937 (mp0) cc_final: 0.6059 (mp0) REVERT: G 188 VAL cc_start: 0.7956 (m) cc_final: 0.7647 (t) REVERT: G 199 THR cc_start: 0.7888 (p) cc_final: 0.7646 (p) REVERT: G 205 ASP cc_start: 0.7615 (m-30) cc_final: 0.7254 (m-30) REVERT: G 206 CYS cc_start: 0.7257 (p) cc_final: 0.6656 (p) REVERT: G 217 ASP cc_start: 0.7657 (t0) cc_final: 0.7436 (t0) REVERT: G 227 ARG cc_start: 0.7167 (tpp80) cc_final: 0.6880 (tpp-160) REVERT: G 230 TYR cc_start: 0.7317 (m-10) cc_final: 0.6945 (m-80) REVERT: G 235 ARG cc_start: 0.7532 (mtt-85) cc_final: 0.7161 (tpp80) REVERT: G 258 LEU cc_start: 0.8120 (mt) cc_final: 0.7906 (mm) REVERT: G 259 THR cc_start: 0.8341 (p) cc_final: 0.8097 (p) REVERT: G 277 THR cc_start: 0.7943 (t) cc_final: 0.6864 (p) REVERT: G 290 GLU cc_start: 0.6309 (tm-30) cc_final: 0.5849 (tm-30) REVERT: G 308 MET cc_start: 0.7105 (mpp) cc_final: 0.6439 (mpp) REVERT: G 312 ASP cc_start: 0.7777 (t0) cc_final: 0.7313 (t0) REVERT: G 323 LEU cc_start: 0.7635 (mm) cc_final: 0.7335 (mm) REVERT: G 379 ARG cc_start: 0.8229 (ptp90) cc_final: 0.7828 (mtm180) REVERT: G 381 VAL cc_start: 0.7433 (t) cc_final: 0.6955 (p) REVERT: G 382 CYS cc_start: 0.7032 (p) cc_final: 0.6756 (p) REVERT: G 397 LEU cc_start: 0.8688 (mt) cc_final: 0.8474 (mt) REVERT: G 400 LYS cc_start: 0.7652 (ptpt) cc_final: 0.7252 (pttm) REVERT: G 404 MET cc_start: 0.8588 (mtm) cc_final: 0.8266 (mtp) REVERT: G 407 LYS cc_start: 0.8362 (mmmt) cc_final: 0.7937 (mmmm) REVERT: G 413 TRP cc_start: 0.7720 (m100) cc_final: 0.7374 (m100) REVERT: G 423 GLU cc_start: 0.7885 (pm20) cc_final: 0.7552 (pm20) REVERT: G 426 GLU cc_start: 0.7982 (mm-30) cc_final: 0.7122 (mm-30) REVERT: G 440 GLU cc_start: 0.7119 (mt-10) cc_final: 0.6907 (mt-10) REVERT: G 441 VAL cc_start: 0.8603 (p) cc_final: 0.8395 (p) REVERT: P 11 GLN cc_start: 0.7624 (tt0) cc_final: 0.6668 (tp40) REVERT: P 19 LYS cc_start: 0.7804 (tptt) cc_final: 0.6978 (tptt) REVERT: P 20 PHE cc_start: 0.8075 (t80) cc_final: 0.7797 (t80) REVERT: P 21 TRP cc_start: 0.8152 (m100) cc_final: 0.7843 (m100) REVERT: P 47 ILE cc_start: 0.8114 (tt) cc_final: 0.7912 (tt) REVERT: P 57 ASN cc_start: 0.7695 (m-40) cc_final: 0.7488 (m110) REVERT: P 67 ASP cc_start: 0.7363 (t70) cc_final: 0.6379 (t0) REVERT: P 73 MET cc_start: 0.8494 (mmt) cc_final: 0.7639 (mmt) REVERT: P 74 ASP cc_start: 0.7846 (m-30) cc_final: 0.7431 (m-30) REVERT: P 89 ASN cc_start: 0.8461 (m-40) cc_final: 0.8156 (m-40) REVERT: P 117 LEU cc_start: 0.7802 (mp) cc_final: 0.7464 (mp) REVERT: P 123 GLU cc_start: 0.8479 (mm-30) cc_final: 0.8089 (mm-30) REVERT: P 134 GLN cc_start: 0.6917 (tp-100) cc_final: 0.6476 (tp-100) REVERT: P 147 MET cc_start: 0.6870 (tmm) cc_final: 0.6623 (tmm) REVERT: P 158 GLU cc_start: 0.7670 (tt0) cc_final: 0.7430 (tt0) REVERT: P 164 MET cc_start: 0.7097 (mtp) cc_final: 0.6317 (mtp) REVERT: P 165 ASN cc_start: 0.7311 (t0) cc_final: 0.7075 (t0) REVERT: P 167 PHE cc_start: 0.7790 (m-80) cc_final: 0.6908 (m-10) REVERT: P 180 VAL cc_start: 0.7360 (t) cc_final: 0.6706 (t) REVERT: P 181 GLU cc_start: 0.7072 (mt-10) cc_final: 0.6411 (mt-10) REVERT: P 195 ASN cc_start: 0.7487 (m-40) cc_final: 0.6481 (m-40) REVERT: P 197 ASP cc_start: 0.6690 (m-30) cc_final: 0.6113 (m-30) REVERT: P 204 ASN cc_start: 0.8373 (t0) cc_final: 0.8013 (t0) REVERT: P 216 LYS cc_start: 0.8587 (ptpt) cc_final: 0.8230 (ptpt) REVERT: P 251 ARG cc_start: 0.7898 (tpp80) cc_final: 0.7473 (tpp80) REVERT: P 262 ARG cc_start: 0.7708 (mtp85) cc_final: 0.7359 (mtp180) REVERT: P 264 HIS cc_start: 0.7639 (p-80) cc_final: 0.6623 (p-80) REVERT: P 273 LEU cc_start: 0.8440 (mt) cc_final: 0.8202 (mt) REVERT: P 289 LEU cc_start: 0.8530 (mt) cc_final: 0.8318 (mt) REVERT: P 290 THR cc_start: 0.8144 (m) cc_final: 0.7533 (p) REVERT: P 293 MET cc_start: 0.7422 (tmm) cc_final: 0.7139 (tmm) REVERT: P 297 LYS cc_start: 0.7847 (mmmt) cc_final: 0.7283 (mmmt) REVERT: P 300 MET cc_start: 0.6592 (mtm) cc_final: 0.6340 (mtm) REVERT: P 311 LEU cc_start: 0.7035 (mt) cc_final: 0.6478 (mt) REVERT: P 318 ARG cc_start: 0.6700 (ttp-170) cc_final: 0.5712 (ttp-170) REVERT: P 320 ARG cc_start: 0.6938 (mmm160) cc_final: 0.6667 (mmm160) REVERT: P 323 MET cc_start: 0.7449 (mmp) cc_final: 0.5388 (mmp) REVERT: P 324 LYS cc_start: 0.7774 (ttpt) cc_final: 0.7183 (ttpt) REVERT: P 327 ASP cc_start: 0.8662 (m-30) cc_final: 0.8331 (m-30) REVERT: P 330 MET cc_start: 0.8375 (mmp) cc_final: 0.8163 (mmp) REVERT: P 336 LYS cc_start: 0.8318 (mtmm) cc_final: 0.7951 (mtmm) REVERT: P 337 ASN cc_start: 0.7510 (m-40) cc_final: 0.6832 (t0) REVERT: P 350 LYS cc_start: 0.8072 (tptp) cc_final: 0.7747 (tptp) REVERT: P 362 LYS cc_start: 0.7460 (mmmt) cc_final: 0.6582 (mmmt) REVERT: P 363 MET cc_start: 0.7931 (mmm) cc_final: 0.7485 (mmm) REVERT: P 364 SER cc_start: 0.7371 (m) cc_final: 0.7086 (p) REVERT: P 375 GLN cc_start: 0.7567 (pt0) cc_final: 0.7344 (pt0) REVERT: P 383 GLU cc_start: 0.8145 (mm-30) cc_final: 0.7878 (mm-30) REVERT: P 388 MET cc_start: 0.7826 (mtp) cc_final: 0.7460 (tpp) REVERT: P 390 ARG cc_start: 0.7824 (ptt90) cc_final: 0.7353 (ptt90) REVERT: P 395 LEU cc_start: 0.7913 (mt) cc_final: 0.7410 (mt) REVERT: P 414 ASN cc_start: 0.8523 (m-40) cc_final: 0.8204 (m-40) REVERT: Z 59 GLU cc_start: 0.7902 (tt0) cc_final: 0.7501 (tp30) REVERT: Z 67 LYS cc_start: 0.7992 (tptt) cc_final: 0.7550 (mmmm) REVERT: Z 101 ASP cc_start: 0.4744 (t70) cc_final: 0.4303 (t70) REVERT: Z 129 HIS cc_start: 0.5838 (m-70) cc_final: 0.5458 (m-70) REVERT: Z 180 MET cc_start: 0.7174 (mmt) cc_final: 0.6827 (mpp) REVERT: Z 256 LYS cc_start: 0.7322 (mmmt) cc_final: 0.6286 (mmmt) REVERT: Z 311 GLU cc_start: 0.8360 (mp0) cc_final: 0.7691 (mp0) REVERT: H 11 GLN cc_start: 0.5114 (tp-100) cc_final: 0.4634 (mm-40) REVERT: H 16 MET cc_start: 0.7693 (mtm) cc_final: 0.6499 (mmp) REVERT: H 23 LEU cc_start: 0.8051 (tp) cc_final: 0.7340 (tp) REVERT: H 31 GLN cc_start: 0.7575 (mt0) cc_final: 0.7250 (mt0) REVERT: H 75 ASP cc_start: 0.6138 (t0) cc_final: 0.5637 (t0) REVERT: H 84 ILE cc_start: 0.8912 (mt) cc_final: 0.8645 (mm) REVERT: H 93 PHE cc_start: 0.6800 (m-80) cc_final: 0.6392 (m-80) REVERT: H 96 GLU cc_start: 0.7389 (tt0) cc_final: 0.6829 (tt0) REVERT: H 104 ASP cc_start: 0.4777 (t0) cc_final: 0.4401 (t0) REVERT: H 120 ILE cc_start: 0.8187 (tp) cc_final: 0.7956 (tp) REVERT: H 160 MET cc_start: 0.7654 (tmm) cc_final: 0.7198 (tmm) REVERT: H 161 GLU cc_start: 0.7814 (tt0) cc_final: 0.7429 (tt0) REVERT: H 163 LEU cc_start: 0.8246 (pp) cc_final: 0.7491 (tt) REVERT: H 174 GLU cc_start: 0.7139 (mp0) cc_final: 0.6098 (mp0) REVERT: H 188 VAL cc_start: 0.8189 (t) cc_final: 0.7614 (t) REVERT: H 189 GLU cc_start: 0.8078 (pt0) cc_final: 0.7325 (mt-10) REVERT: H 198 HIS cc_start: 0.7551 (t-90) cc_final: 0.7191 (t-170) REVERT: H 206 CYS cc_start: 0.7211 (p) cc_final: 0.6783 (p) REVERT: H 215 ILE cc_start: 0.8704 (tp) cc_final: 0.8228 (mm) REVERT: H 232 ASN cc_start: 0.8683 (m110) cc_final: 0.7143 (m110) REVERT: H 235 ARG cc_start: 0.8287 (mtt-85) cc_final: 0.7655 (mtt-85) REVERT: H 257 ASP cc_start: 0.7313 (p0) cc_final: 0.6800 (p0) REVERT: H 312 ASP cc_start: 0.7810 (t0) cc_final: 0.7367 (t0) REVERT: H 317 LYS cc_start: 0.7543 (mttm) cc_final: 0.6532 (tppt) REVERT: H 319 MET cc_start: 0.5740 (mmm) cc_final: 0.4877 (mmm) REVERT: H 325 TYR cc_start: 0.7467 (m-80) cc_final: 0.7222 (m-80) REVERT: H 342 LYS cc_start: 0.8508 (mttt) cc_final: 0.8063 (mttt) REVERT: H 407 LYS cc_start: 0.8402 (mmmt) cc_final: 0.7885 (mmmt) REVERT: H 410 PHE cc_start: 0.8406 (m-80) cc_final: 0.7812 (m-10) REVERT: H 430 ASP cc_start: 0.8008 (t0) cc_final: 0.7645 (t0) REVERT: H 431 MET cc_start: 0.8126 (mmp) cc_final: 0.7829 (mmp) REVERT: H 434 LEU cc_start: 0.8419 (mm) cc_final: 0.8199 (mm) REVERT: R 3 GLU cc_start: 0.6848 (mp0) cc_final: 0.6492 (mp0) REVERT: R 73 MET cc_start: 0.8585 (mmt) cc_final: 0.7531 (mmt) REVERT: R 74 ASP cc_start: 0.8011 (m-30) cc_final: 0.7633 (m-30) REVERT: R 77 ARG cc_start: 0.7486 (ttm110) cc_final: 0.6904 (ttm110) REVERT: R 89 ASN cc_start: 0.7977 (m110) cc_final: 0.7735 (m-40) REVERT: R 100 ASN cc_start: 0.8459 (t0) cc_final: 0.8056 (t0) REVERT: R 128 ASP cc_start: 0.7067 (p0) cc_final: 0.6324 (p0) REVERT: R 129 CYS cc_start: 0.7042 (t) cc_final: 0.5558 (p) REVERT: R 162 ARG cc_start: 0.7735 (mmp80) cc_final: 0.7239 (mmp80) REVERT: R 167 PHE cc_start: 0.8171 (m-80) cc_final: 0.7558 (m-80) REVERT: R 170 MET cc_start: 0.8084 (mtm) cc_final: 0.7682 (mtm) REVERT: R 200 TYR cc_start: 0.7283 (m-80) cc_final: 0.7059 (m-10) REVERT: R 202 ILE cc_start: 0.6455 (mt) cc_final: 0.6077 (mt) REVERT: R 251 ARG cc_start: 0.7398 (tpt-90) cc_final: 0.7107 (tpt-90) REVERT: R 256 ASN cc_start: 0.8525 (m-40) cc_final: 0.8213 (m110) REVERT: R 257 MET cc_start: 0.6844 (mmm) cc_final: 0.6585 (mmm) REVERT: R 262 ARG cc_start: 0.7468 (mtp85) cc_final: 0.7088 (mtt180) REVERT: R 264 HIS cc_start: 0.7789 (p-80) cc_final: 0.6702 (p-80) REVERT: R 267 MET cc_start: 0.6942 (ttp) cc_final: 0.5873 (ttp) REVERT: R 287 PRO cc_start: 0.8029 (Cg_exo) cc_final: 0.7803 (Cg_endo) REVERT: R 290 THR cc_start: 0.8352 (m) cc_final: 0.8073 (p) REVERT: R 292 GLN cc_start: 0.8507 (tt0) cc_final: 0.8273 (tt0) REVERT: R 293 MET cc_start: 0.7828 (mtp) cc_final: 0.7247 (mtp) REVERT: R 297 LYS cc_start: 0.7641 (mmmt) cc_final: 0.7340 (mmmt) REVERT: R 299 MET cc_start: 0.5893 (mtm) cc_final: 0.5031 (mtm) REVERT: R 309 ARG cc_start: 0.6434 (mtp85) cc_final: 0.6061 (mtp85) REVERT: R 311 LEU cc_start: 0.7605 (mt) cc_final: 0.7333 (mt) REVERT: R 323 MET cc_start: 0.7341 (mmp) cc_final: 0.6391 (mmp) REVERT: R 326 VAL cc_start: 0.9153 (t) cc_final: 0.8504 (t) REVERT: R 327 ASP cc_start: 0.8905 (m-30) cc_final: 0.8333 (p0) REVERT: R 328 GLU cc_start: 0.7301 (pp20) cc_final: 0.6985 (pp20) REVERT: R 330 MET cc_start: 0.8348 (mmp) cc_final: 0.7928 (mmp) REVERT: R 347 ASN cc_start: 0.7023 (t0) cc_final: 0.6429 (t0) REVERT: R 362 LYS cc_start: 0.7912 (mmmt) cc_final: 0.7202 (mmmt) REVERT: R 363 MET cc_start: 0.8027 (mmm) cc_final: 0.7610 (mmt) REVERT: R 367 PHE cc_start: 0.8225 (t80) cc_final: 0.6878 (t80) REVERT: R 370 ASN cc_start: 0.7472 (t0) cc_final: 0.6975 (t0) REVERT: R 390 ARG cc_start: 0.7637 (ptt90) cc_final: 0.7233 (ptt90) REVERT: R 410 GLU cc_start: 0.7926 (mt-10) cc_final: 0.7594 (mt-10) REVERT: R 415 MET cc_start: 0.7852 (mmm) cc_final: 0.7464 (mmm) REVERT: R 421 GLU cc_start: 0.7295 (tt0) cc_final: 0.7017 (tp30) REVERT: a 36 GLU cc_start: 0.7082 (mt-10) cc_final: 0.6627 (mt-10) REVERT: a 44 LYS cc_start: 0.6376 (tmtt) cc_final: 0.6001 (tmtt) REVERT: a 91 LYS cc_start: 0.6762 (mtmm) cc_final: 0.6544 (mmmt) REVERT: a 95 MET cc_start: 0.7167 (mtt) cc_final: 0.6785 (mtt) REVERT: a 103 GLU cc_start: 0.7737 (tp30) cc_final: 0.6990 (tp30) REVERT: a 131 LYS cc_start: 0.5768 (pttt) cc_final: 0.5504 (pttt) REVERT: a 138 TYR cc_start: 0.6449 (t80) cc_final: 0.5697 (t80) REVERT: a 176 PRO cc_start: 0.5517 (Cg_endo) cc_final: 0.5090 (Cg_exo) REVERT: a 177 ASP cc_start: 0.6307 (t0) cc_final: 0.6103 (t0) REVERT: a 178 GLU cc_start: 0.7731 (mt-10) cc_final: 0.7249 (mt-10) REVERT: a 268 LEU cc_start: 0.7969 (mt) cc_final: 0.7720 (mt) REVERT: a 282 MET cc_start: 0.8359 (tpt) cc_final: 0.7963 (tpt) REVERT: a 311 GLU cc_start: 0.8712 (pm20) cc_final: 0.8451 (pm20) outliers start: 11 outliers final: 1 residues processed: 3694 average time/residue: 0.8319 time to fit residues: 5230.8655 Evaluate side-chains 3518 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 3515 time to evaluate : 6.849 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 526 optimal weight: 5.9990 chunk 294 optimal weight: 6.9990 chunk 789 optimal weight: 20.0000 chunk 645 optimal weight: 0.9980 chunk 261 optimal weight: 1.9990 chunk 949 optimal weight: 1.9990 chunk 1026 optimal weight: 10.0000 chunk 845 optimal weight: 3.9990 chunk 941 optimal weight: 10.0000 chunk 323 optimal weight: 8.9990 chunk 761 optimal weight: 0.9990 overall best weight: 1.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 198 HIS I 262 GLN I 335 ASN Q 37 HIS Q 89 ASN ** Q 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 396 HIS Y 255 ASN A 232 ASN A 262 GLN A 291 GLN A 412 HIS J 28 HIS J 298 ASN S 117 ASN ** B 139 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 335 ASN ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 298 ASN ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 375 GLN T 117 ASN ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 255 ASN C 139 GLN C 262 GLN ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 386 ASN L 11 GLN L 14 ASN L 37 HIS L 48 ASN ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 307 HIS ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 117 ASN ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 289 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 412 HIS ** M 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 37 HIS M 52 ASN ** M 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 247 ASN ** M 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 255 ASN ** E 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 139 GLN E 262 GLN E 291 GLN E 307 GLN E 335 ASN E 412 HIS N 37 HIS N 184 ASN N 307 HIS ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 423 GLN ** N 426 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 58 GLN ** F 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 255 ASN F 262 GLN ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 99 ASN O 105 HIS ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 423 GLN X 117 ASN G 198 HIS G 262 GLN G 289 HIS G 291 GLN ** G 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 37 HIS P 48 ASN ** P 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 60 GLN Z 117 ASN H 28 HIS ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 203 HIS H 255 ASN H 262 GLN H 291 GLN ** H 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 52 ASN R 165 ASN ** R 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 227 HIS R 298 ASN ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 117 ASN Total number of N/Q/H flips: 68 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6670 moved from start: 0.3763 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.050 85869 Z= 0.206 Angle : 0.605 10.435 116442 Z= 0.309 Chirality : 0.046 0.265 12780 Planarity : 0.004 0.057 15093 Dihedral : 8.783 149.892 12231 Min Nonbonded Distance : 2.100 Molprobity Statistics. All-atom Clashscore : 12.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.61 % Favored : 97.39 % Rotamer: Outliers : 0.13 % Allowed : 3.34 % Favored : 96.53 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.53 (0.08), residues: 10530 helix: -0.59 (0.08), residues: 4212 sheet: -1.16 (0.12), residues: 1773 loop : -1.21 (0.09), residues: 4545 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.002 TRP J 21 HIS 0.009 0.001 HIS R 307 PHE 0.028 0.002 PHE G 302 TYR 0.026 0.002 TYR I 230 ARG 0.015 0.001 ARG P 380 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3757 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 12 poor density : 3745 time to evaluate : 6.835 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 11 GLN cc_start: 0.6722 (tp-100) cc_final: 0.6341 (tp40) REVERT: I 15 GLN cc_start: 0.8211 (mm-40) cc_final: 0.7967 (mm110) REVERT: I 16 MET cc_start: 0.8655 (mtm) cc_final: 0.8452 (mtm) REVERT: I 23 LEU cc_start: 0.8529 (tp) cc_final: 0.7958 (tp) REVERT: I 83 GLU cc_start: 0.8287 (tm-30) cc_final: 0.7986 (tm-30) REVERT: I 93 PHE cc_start: 0.7561 (m-80) cc_final: 0.7067 (m-80) REVERT: I 119 GLU cc_start: 0.7887 (pp20) cc_final: 0.7607 (pp20) REVERT: I 127 ARG cc_start: 0.7722 (tpp-160) cc_final: 0.7037 (tpt-90) REVERT: I 134 GLN cc_start: 0.8493 (tm-30) cc_final: 0.7963 (tp40) REVERT: I 160 MET cc_start: 0.8122 (tmm) cc_final: 0.7255 (tmm) REVERT: I 161 GLU cc_start: 0.8252 (tt0) cc_final: 0.7695 (tm-30) REVERT: I 169 LYS cc_start: 0.8634 (ptpp) cc_final: 0.8316 (ptpp) REVERT: I 170 LYS cc_start: 0.8295 (mmtt) cc_final: 0.8052 (tppt) REVERT: I 192 ASN cc_start: 0.8666 (m-40) cc_final: 0.8346 (m-40) REVERT: I 205 ASP cc_start: 0.8011 (m-30) cc_final: 0.7508 (m-30) REVERT: I 215 ILE cc_start: 0.8444 (tt) cc_final: 0.8179 (tt) REVERT: I 216 TYR cc_start: 0.7723 (m-80) cc_final: 0.7002 (m-80) REVERT: I 219 CYS cc_start: 0.7611 (p) cc_final: 0.7320 (p) REVERT: I 221 ARG cc_start: 0.6819 (ttm110) cc_final: 0.6506 (ttm110) REVERT: I 235 ARG cc_start: 0.7799 (mtt-85) cc_final: 0.7407 (mtt-85) REVERT: I 255 ASN cc_start: 0.7420 (m110) cc_final: 0.7026 (m110) REVERT: I 258 LEU cc_start: 0.8169 (mt) cc_final: 0.7302 (mm) REVERT: I 262 GLN cc_start: 0.7851 (mp-120) cc_final: 0.7115 (mp-120) REVERT: I 291 GLN cc_start: 0.7697 (tm-30) cc_final: 0.7344 (tm-30) REVERT: I 312 ASP cc_start: 0.7596 (t0) cc_final: 0.7210 (t0) REVERT: I 317 LYS cc_start: 0.7283 (mttm) cc_final: 0.6848 (mttm) REVERT: I 332 LYS cc_start: 0.7926 (pttm) cc_final: 0.7699 (ptmt) REVERT: I 344 LYS cc_start: 0.8063 (ttmm) cc_final: 0.7835 (ttmm) REVERT: I 347 ILE cc_start: 0.7154 (pt) cc_final: 0.6861 (pt) REVERT: I 348 GLN cc_start: 0.8113 (pt0) cc_final: 0.7212 (mp10) REVERT: I 358 LYS cc_start: 0.6930 (tptt) cc_final: 0.6117 (tptt) REVERT: I 379 ARG cc_start: 0.8357 (ptp90) cc_final: 0.7027 (mtm180) REVERT: I 400 LYS cc_start: 0.8447 (ptpt) cc_final: 0.7789 (pttm) REVERT: I 423 GLU cc_start: 0.8287 (pm20) cc_final: 0.7944 (pm20) REVERT: I 441 VAL cc_start: 0.8796 (p) cc_final: 0.8413 (p) REVERT: Q 4 ILE cc_start: 0.7186 (tp) cc_final: 0.6532 (tp) REVERT: Q 11 GLN cc_start: 0.7827 (tt0) cc_final: 0.6738 (tm-30) REVERT: Q 15 GLN cc_start: 0.8822 (mm110) cc_final: 0.8331 (mm-40) REVERT: Q 20 PHE cc_start: 0.8707 (t80) cc_final: 0.8503 (t80) REVERT: Q 21 TRP cc_start: 0.8580 (m100) cc_final: 0.8038 (m100) REVERT: Q 31 ASP cc_start: 0.7771 (t0) cc_final: 0.7303 (t70) REVERT: Q 58 LYS cc_start: 0.7844 (ttmt) cc_final: 0.7499 (ttmt) REVERT: Q 67 ASP cc_start: 0.7735 (t70) cc_final: 0.6910 (t70) REVERT: Q 69 GLU cc_start: 0.6712 (tm-30) cc_final: 0.5909 (tm-30) REVERT: Q 73 MET cc_start: 0.8714 (mmt) cc_final: 0.7937 (mmt) REVERT: Q 89 ASN cc_start: 0.8608 (m110) cc_final: 0.8224 (m-40) REVERT: Q 99 ASN cc_start: 0.6855 (m-40) cc_final: 0.6514 (m-40) REVERT: Q 108 GLU cc_start: 0.7922 (mp0) cc_final: 0.7192 (mp0) REVERT: Q 120 VAL cc_start: 0.8943 (m) cc_final: 0.8603 (t) REVERT: Q 121 ARG cc_start: 0.8074 (mtt180) cc_final: 0.7709 (mtt-85) REVERT: Q 123 GLU cc_start: 0.8616 (mm-30) cc_final: 0.8394 (mm-30) REVERT: Q 147 MET cc_start: 0.7538 (tmm) cc_final: 0.7013 (tmm) REVERT: Q 151 LEU cc_start: 0.8503 (pp) cc_final: 0.8236 (pp) REVERT: Q 164 MET cc_start: 0.7291 (mtp) cc_final: 0.6248 (mtp) REVERT: Q 165 ASN cc_start: 0.7584 (t0) cc_final: 0.7071 (t0) REVERT: Q 178 THR cc_start: 0.7180 (m) cc_final: 0.6599 (m) REVERT: Q 181 GLU cc_start: 0.7459 (mt-10) cc_final: 0.6686 (mt-10) REVERT: Q 198 GLU cc_start: 0.6362 (pt0) cc_final: 0.6098 (pt0) REVERT: Q 202 ILE cc_start: 0.6185 (mt) cc_final: 0.5754 (tp) REVERT: Q 209 ASP cc_start: 0.7743 (t70) cc_final: 0.7478 (t0) REVERT: Q 257 MET cc_start: 0.7487 (mmm) cc_final: 0.6995 (mmm) REVERT: Q 264 HIS cc_start: 0.8117 (p-80) cc_final: 0.7335 (p-80) REVERT: Q 273 LEU cc_start: 0.7992 (mp) cc_final: 0.7518 (mp) REVERT: Q 288 GLU cc_start: 0.7181 (tt0) cc_final: 0.6647 (tt0) REVERT: Q 297 LYS cc_start: 0.8430 (mmmt) cc_final: 0.7710 (mmmt) REVERT: Q 300 MET cc_start: 0.7195 (mtm) cc_final: 0.6955 (mtm) REVERT: Q 309 ARG cc_start: 0.7176 (mtt-85) cc_final: 0.6514 (mtp85) REVERT: Q 317 PHE cc_start: 0.8517 (m-10) cc_final: 0.8225 (m-10) REVERT: Q 321 MET cc_start: 0.8367 (ptp) cc_final: 0.7273 (ptp) REVERT: Q 323 MET cc_start: 0.8297 (mmp) cc_final: 0.7758 (mmp) REVERT: Q 330 MET cc_start: 0.8251 (mmp) cc_final: 0.7659 (mmp) REVERT: Q 331 LEU cc_start: 0.8814 (tp) cc_final: 0.8486 (tp) REVERT: Q 350 LYS cc_start: 0.7583 (tptp) cc_final: 0.7319 (tptp) REVERT: Q 351 THR cc_start: 0.7549 (p) cc_final: 0.7156 (p) REVERT: Q 353 VAL cc_start: 0.8150 (p) cc_final: 0.7930 (m) REVERT: Q 354 CYS cc_start: 0.8403 (t) cc_final: 0.7902 (p) REVERT: Q 362 LYS cc_start: 0.7703 (mmmt) cc_final: 0.6928 (mmmt) REVERT: Q 363 MET cc_start: 0.7748 (mmm) cc_final: 0.7106 (mmm) REVERT: Q 404 ASP cc_start: 0.8258 (t0) cc_final: 0.7660 (t0) REVERT: Q 406 MET cc_start: 0.8106 (tpp) cc_final: 0.7592 (tpp) REVERT: Q 407 GLU cc_start: 0.8074 (mt-10) cc_final: 0.7408 (pt0) REVERT: Q 409 THR cc_start: 0.8473 (m) cc_final: 0.8074 (p) REVERT: Q 410 GLU cc_start: 0.7794 (mt-10) cc_final: 0.7586 (mm-30) REVERT: Q 415 MET cc_start: 0.7814 (tpt) cc_final: 0.7442 (tpt) REVERT: Q 421 GLU cc_start: 0.7929 (tt0) cc_final: 0.7433 (tt0) REVERT: Y 12 MET cc_start: 0.6887 (mpp) cc_final: 0.6308 (mpp) REVERT: Y 32 LYS cc_start: 0.7826 (tppt) cc_final: 0.7144 (mmtp) REVERT: Y 58 GLN cc_start: 0.7030 (mm110) cc_final: 0.6525 (mm110) REVERT: Y 93 HIS cc_start: 0.7746 (t-90) cc_final: 0.6972 (t-90) REVERT: Y 101 ASP cc_start: 0.5588 (t70) cc_final: 0.4977 (t70) REVERT: Y 103 GLU cc_start: 0.7771 (tp30) cc_final: 0.7155 (tp30) REVERT: Y 110 ARG cc_start: 0.6418 (mtt-85) cc_final: 0.6142 (mtt-85) REVERT: Y 147 ASP cc_start: 0.7213 (m-30) cc_final: 0.6933 (m-30) REVERT: Y 178 GLU cc_start: 0.7875 (mt-10) cc_final: 0.7319 (mt-10) REVERT: Y 180 MET cc_start: 0.7734 (mmt) cc_final: 0.7494 (mmt) REVERT: Y 220 GLU cc_start: 0.5987 (mm-30) cc_final: 0.5557 (mm-30) REVERT: Y 227 LEU cc_start: 0.7399 (tp) cc_final: 0.7118 (tp) REVERT: Y 274 TYR cc_start: 0.6524 (t80) cc_final: 0.6037 (t80) REVERT: Y 282 MET cc_start: 0.7953 (tpt) cc_final: 0.7486 (tpt) REVERT: Y 311 GLU cc_start: 0.8164 (pm20) cc_final: 0.7824 (pm20) REVERT: A 11 GLN cc_start: 0.6924 (tt0) cc_final: 0.6150 (tm-30) REVERT: A 16 MET cc_start: 0.8339 (mtm) cc_final: 0.7560 (mtm) REVERT: A 22 GLU cc_start: 0.7316 (pt0) cc_final: 0.6974 (pt0) REVERT: A 23 LEU cc_start: 0.8376 (tp) cc_final: 0.7148 (tp) REVERT: A 24 TYR cc_start: 0.8037 (m-80) cc_final: 0.7224 (m-80) REVERT: A 27 GLU cc_start: 0.7835 (mt-10) cc_final: 0.7492 (mt-10) REVERT: A 31 GLN cc_start: 0.8137 (mt0) cc_final: 0.7636 (mt0) REVERT: A 70 ARG cc_start: 0.6250 (mpt180) cc_final: 0.5773 (mpt-90) REVERT: A 79 THR cc_start: 0.7645 (p) cc_final: 0.7015 (p) REVERT: A 93 PHE cc_start: 0.7090 (m-80) cc_final: 0.6272 (m-80) REVERT: A 96 GLU cc_start: 0.7716 (tt0) cc_final: 0.6933 (tt0) REVERT: A 97 GLN cc_start: 0.8274 (mt0) cc_final: 0.7698 (mt0) REVERT: A 121 ILE cc_start: 0.8794 (pt) cc_final: 0.8578 (pt) REVERT: A 125 LEU cc_start: 0.7975 (mm) cc_final: 0.7680 (mm) REVERT: A 161 GLU cc_start: 0.8164 (tt0) cc_final: 0.7597 (tt0) REVERT: A 163 LEU cc_start: 0.8849 (pp) cc_final: 0.8335 (tt) REVERT: A 175 PHE cc_start: 0.7120 (m-80) cc_final: 0.6905 (m-10) REVERT: A 203 HIS cc_start: 0.8242 (m170) cc_final: 0.7432 (m170) REVERT: A 209 MET cc_start: 0.7732 (mmm) cc_final: 0.7170 (mmm) REVERT: A 218 ILE cc_start: 0.8624 (mm) cc_final: 0.8380 (mm) REVERT: A 261 PHE cc_start: 0.7994 (m-80) cc_final: 0.7238 (m-80) REVERT: A 308 MET cc_start: 0.7449 (mpp) cc_final: 0.7018 (mpp) REVERT: A 309 VAL cc_start: 0.8316 (p) cc_final: 0.8058 (m) REVERT: A 317 LYS cc_start: 0.7488 (mttm) cc_final: 0.7128 (mmtp) REVERT: A 329 VAL cc_start: 0.8493 (t) cc_final: 0.8113 (p) REVERT: A 338 ILE cc_start: 0.8023 (pt) cc_final: 0.7617 (pt) REVERT: A 342 LYS cc_start: 0.8601 (mttt) cc_final: 0.8039 (mttt) REVERT: A 345 ARG cc_start: 0.7714 (mmm160) cc_final: 0.7428 (mmp80) REVERT: A 347 ILE cc_start: 0.6764 (pt) cc_final: 0.6309 (pt) REVERT: A 361 ILE cc_start: 0.6938 (tp) cc_final: 0.6594 (tp) REVERT: A 363 TYR cc_start: 0.7712 (m-80) cc_final: 0.7214 (m-10) REVERT: A 400 LYS cc_start: 0.8398 (ptpt) cc_final: 0.7751 (ptpt) REVERT: A 401 PHE cc_start: 0.8462 (t80) cc_final: 0.7704 (t80) REVERT: A 404 MET cc_start: 0.8106 (mtm) cc_final: 0.7257 (mtm) REVERT: A 405 TYR cc_start: 0.7929 (t80) cc_final: 0.7414 (t80) REVERT: A 407 LYS cc_start: 0.8487 (mmmt) cc_final: 0.7947 (mmmt) REVERT: A 408 ARG cc_start: 0.7756 (mmt180) cc_final: 0.7481 (mmt180) REVERT: A 419 MET cc_start: 0.4268 (mmm) cc_final: 0.3685 (mmm) REVERT: A 424 PHE cc_start: 0.8129 (m-10) cc_final: 0.7683 (m-10) REVERT: A 426 GLU cc_start: 0.7972 (mm-30) cc_final: 0.7622 (mm-30) REVERT: A 430 ASP cc_start: 0.8519 (t0) cc_final: 0.8105 (t0) REVERT: A 437 ASP cc_start: 0.6155 (m-30) cc_final: 0.5667 (m-30) REVERT: A 440 GLU cc_start: 0.7221 (mt-10) cc_final: 0.6964 (mt-10) REVERT: J 3 GLU cc_start: 0.6586 (mp0) cc_final: 0.6237 (mp0) REVERT: J 8 GLN cc_start: 0.6476 (mt0) cc_final: 0.5608 (mt0) REVERT: J 20 PHE cc_start: 0.8814 (t80) cc_final: 0.8398 (t80) REVERT: J 59 TYR cc_start: 0.7373 (m-80) cc_final: 0.7113 (m-80) REVERT: J 67 ASP cc_start: 0.6729 (t70) cc_final: 0.6326 (t0) REVERT: J 68 LEU cc_start: 0.6713 (mt) cc_final: 0.6489 (mt) REVERT: J 74 ASP cc_start: 0.7780 (m-30) cc_final: 0.7355 (m-30) REVERT: J 90 PHE cc_start: 0.8013 (m-80) cc_final: 0.7340 (m-80) REVERT: J 91 VAL cc_start: 0.7940 (m) cc_final: 0.7733 (p) REVERT: J 92 PHE cc_start: 0.8187 (p90) cc_final: 0.7484 (p90) REVERT: J 100 ASN cc_start: 0.8732 (t0) cc_final: 0.8323 (t0) REVERT: J 106 TYR cc_start: 0.8426 (m-80) cc_final: 0.7883 (m-80) REVERT: J 121 ARG cc_start: 0.8513 (mtt180) cc_final: 0.7912 (ptp-110) REVERT: J 122 LYS cc_start: 0.8161 (ttpp) cc_final: 0.7728 (ttpp) REVERT: J 136 THR cc_start: 0.6336 (p) cc_final: 0.5944 (p) REVERT: J 143 THR cc_start: 0.7802 (t) cc_final: 0.7221 (t) REVERT: J 158 GLU cc_start: 0.7903 (tt0) cc_final: 0.7549 (tt0) REVERT: J 159 TYR cc_start: 0.8376 (m-10) cc_final: 0.7325 (m-10) REVERT: J 181 GLU cc_start: 0.7200 (mt-10) cc_final: 0.6341 (mt-10) REVERT: J 184 ASN cc_start: 0.8480 (p0) cc_final: 0.7816 (p0) REVERT: J 195 ASN cc_start: 0.7267 (m-40) cc_final: 0.6610 (m-40) REVERT: J 215 LEU cc_start: 0.8083 (tp) cc_final: 0.7719 (tp) REVERT: J 226 ASN cc_start: 0.8130 (m-40) cc_final: 0.7824 (m-40) REVERT: J 232 THR cc_start: 0.8839 (p) cc_final: 0.8635 (p) REVERT: J 233 MET cc_start: 0.8647 (mmm) cc_final: 0.7907 (mmm) REVERT: J 247 ASN cc_start: 0.6899 (m110) cc_final: 0.6569 (m110) REVERT: J 251 ARG cc_start: 0.7801 (tpt-90) cc_final: 0.7224 (tpt-90) REVERT: J 257 MET cc_start: 0.7305 (mmm) cc_final: 0.6811 (mmm) REVERT: J 264 HIS cc_start: 0.8216 (p-80) cc_final: 0.7305 (p-80) REVERT: J 267 MET cc_start: 0.7067 (ttp) cc_final: 0.6866 (ttp) REVERT: J 273 LEU cc_start: 0.8135 (mt) cc_final: 0.7726 (mt) REVERT: J 297 LYS cc_start: 0.7896 (mmmt) cc_final: 0.7306 (mmmt) REVERT: J 299 MET cc_start: 0.6186 (mtm) cc_final: 0.5841 (mtm) REVERT: J 300 MET cc_start: 0.6061 (mpp) cc_final: 0.5806 (mpp) REVERT: J 321 MET cc_start: 0.8245 (ptp) cc_final: 0.7876 (ptp) REVERT: J 323 MET cc_start: 0.8037 (mmp) cc_final: 0.7185 (mmp) REVERT: J 324 LYS cc_start: 0.8326 (ttpt) cc_final: 0.7540 (ttpt) REVERT: J 325 GLU cc_start: 0.7639 (pt0) cc_final: 0.7249 (pt0) REVERT: J 327 ASP cc_start: 0.8436 (m-30) cc_final: 0.8052 (m-30) REVERT: J 330 MET cc_start: 0.8394 (mmp) cc_final: 0.8002 (mmt) REVERT: J 345 ILE cc_start: 0.8262 (mp) cc_final: 0.8055 (tp) REVERT: J 347 ASN cc_start: 0.7759 (t0) cc_final: 0.7406 (t0) REVERT: J 367 PHE cc_start: 0.8115 (t80) cc_final: 0.7193 (t80) REVERT: J 375 GLN cc_start: 0.7484 (pt0) cc_final: 0.7143 (tm-30) REVERT: J 390 ARG cc_start: 0.7892 (ptt90) cc_final: 0.7485 (ptt90) REVERT: J 391 ARG cc_start: 0.7027 (ttt180) cc_final: 0.6721 (ttt180) REVERT: J 392 LYS cc_start: 0.7672 (mtmm) cc_final: 0.6990 (mmtm) REVERT: J 395 LEU cc_start: 0.7892 (mt) cc_final: 0.7692 (mt) REVERT: J 407 GLU cc_start: 0.8182 (mt-10) cc_final: 0.7365 (mt-10) REVERT: J 410 GLU cc_start: 0.8212 (mt-10) cc_final: 0.7604 (mt-10) REVERT: J 413 SER cc_start: 0.7628 (t) cc_final: 0.7379 (m) REVERT: J 414 ASN cc_start: 0.8784 (m-40) cc_final: 0.8428 (m-40) REVERT: J 415 MET cc_start: 0.8217 (tpt) cc_final: 0.7345 (mmm) REVERT: J 416 ASN cc_start: 0.7885 (p0) cc_final: 0.7651 (p0) REVERT: J 421 GLU cc_start: 0.7736 (tt0) cc_final: 0.7511 (tt0) REVERT: S 32 LYS cc_start: 0.8089 (mmpt) cc_final: 0.7300 (tptm) REVERT: S 36 GLU cc_start: 0.7629 (mt-10) cc_final: 0.7235 (mt-10) REVERT: S 53 GLN cc_start: 0.5597 (mt0) cc_final: 0.5291 (mp10) REVERT: S 82 PHE cc_start: 0.7662 (p90) cc_final: 0.7413 (p90) REVERT: S 103 GLU cc_start: 0.8193 (tp30) cc_final: 0.7630 (tp30) REVERT: S 117 ASN cc_start: 0.6687 (m110) cc_final: 0.6402 (m-40) REVERT: S 131 LYS cc_start: 0.6726 (ptpp) cc_final: 0.6368 (ptpp) REVERT: S 171 ARG cc_start: 0.7561 (ttt180) cc_final: 0.7300 (ttt180) REVERT: S 178 GLU cc_start: 0.8299 (mt-10) cc_final: 0.7512 (mt-10) REVERT: S 210 ILE cc_start: 0.7502 (mp) cc_final: 0.7238 (mp) REVERT: S 221 GLN cc_start: 0.5696 (pp30) cc_final: 0.5343 (pp30) REVERT: S 268 LEU cc_start: 0.7920 (mt) cc_final: 0.7701 (mt) REVERT: S 307 TYR cc_start: 0.6635 (t80) cc_final: 0.6123 (t80) REVERT: S 310 SER cc_start: 0.8726 (t) cc_final: 0.8236 (m) REVERT: S 311 GLU cc_start: 0.8682 (pm20) cc_final: 0.8392 (pm20) REVERT: B 11 GLN cc_start: 0.7296 (tp-100) cc_final: 0.5922 (tm-30) REVERT: B 15 GLN cc_start: 0.8721 (mm-40) cc_final: 0.7826 (mm-40) REVERT: B 16 MET cc_start: 0.8753 (mtm) cc_final: 0.8234 (mtm) REVERT: B 23 LEU cc_start: 0.8596 (tp) cc_final: 0.7915 (tp) REVERT: B 24 TYR cc_start: 0.8294 (m-80) cc_final: 0.7508 (m-80) REVERT: B 27 GLU cc_start: 0.8259 (mt-10) cc_final: 0.7654 (mt-10) REVERT: B 75 ASP cc_start: 0.6540 (t0) cc_final: 0.6142 (t0) REVERT: B 83 GLU cc_start: 0.8000 (tm-30) cc_final: 0.7763 (tm-30) REVERT: B 84 ILE cc_start: 0.8792 (mm) cc_final: 0.8377 (mm) REVERT: B 96 GLU cc_start: 0.7253 (tt0) cc_final: 0.6663 (tt0) REVERT: B 97 GLN cc_start: 0.7494 (mm110) cc_final: 0.7162 (mm110) REVERT: B 120 ILE cc_start: 0.8464 (tp) cc_final: 0.8104 (mm) REVERT: B 160 MET cc_start: 0.7980 (tmm) cc_final: 0.7615 (tmm) REVERT: B 189 GLU cc_start: 0.7850 (pm20) cc_final: 0.7227 (pm20) REVERT: B 218 ILE cc_start: 0.8548 (OUTLIER) cc_final: 0.8343 (mp) REVERT: B 222 ASN cc_start: 0.7979 (m-40) cc_final: 0.7522 (t0) REVERT: B 223 LEU cc_start: 0.7653 (tp) cc_final: 0.7255 (tp) REVERT: B 232 ASN cc_start: 0.8427 (m-40) cc_final: 0.8120 (m-40) REVERT: B 265 LEU cc_start: 0.8291 (mm) cc_final: 0.8054 (mm) REVERT: B 268 TYR cc_start: 0.8697 (m-80) cc_final: 0.8452 (m-80) REVERT: B 277 THR cc_start: 0.6928 (t) cc_final: 0.6171 (p) REVERT: B 308 MET cc_start: 0.7977 (mmt) cc_final: 0.7740 (mmp) REVERT: B 312 ASP cc_start: 0.7350 (t0) cc_final: 0.7025 (t0) REVERT: B 315 HIS cc_start: 0.7842 (m90) cc_final: 0.7584 (m170) REVERT: B 318 TYR cc_start: 0.8003 (m-10) cc_final: 0.7642 (m-10) REVERT: B 319 MET cc_start: 0.7467 (mmm) cc_final: 0.6009 (mmm) REVERT: B 329 VAL cc_start: 0.8560 (p) cc_final: 0.7922 (t) REVERT: B 344 LYS cc_start: 0.6700 (ttmm) cc_final: 0.6416 (ttmm) REVERT: B 378 GLN cc_start: 0.7796 (mm110) cc_final: 0.7512 (mm-40) REVERT: B 379 ARG cc_start: 0.8247 (ptp90) cc_final: 0.7859 (mtm-85) REVERT: B 386 ASN cc_start: 0.7171 (t0) cc_final: 0.6700 (t0) REVERT: B 400 LYS cc_start: 0.7807 (ptpp) cc_final: 0.7367 (pttm) REVERT: B 401 PHE cc_start: 0.8362 (t80) cc_final: 0.7993 (t80) REVERT: B 404 MET cc_start: 0.7959 (mtm) cc_final: 0.7370 (mmm) REVERT: B 408 ARG cc_start: 0.6423 (mmt-90) cc_final: 0.6024 (mmt90) REVERT: B 410 PHE cc_start: 0.8332 (m-80) cc_final: 0.7738 (m-80) REVERT: B 412 HIS cc_start: 0.7767 (p90) cc_final: 0.6809 (p-80) REVERT: B 413 TRP cc_start: 0.8099 (m100) cc_final: 0.7554 (m100) REVERT: B 426 GLU cc_start: 0.8619 (mm-30) cc_final: 0.7988 (mm-30) REVERT: B 440 GLU cc_start: 0.7389 (mt-10) cc_final: 0.7121 (mt-10) REVERT: K 11 GLN cc_start: 0.7758 (mt0) cc_final: 0.7544 (mt0) REVERT: K 15 GLN cc_start: 0.9073 (mm-40) cc_final: 0.8858 (mm-40) REVERT: K 21 TRP cc_start: 0.8426 (m100) cc_final: 0.7779 (m100) REVERT: K 24 ILE cc_start: 0.8887 (pt) cc_final: 0.8502 (pt) REVERT: K 27 GLU cc_start: 0.8320 (mt-10) cc_final: 0.7811 (mt-10) REVERT: K 45 GLU cc_start: 0.7862 (tt0) cc_final: 0.7175 (tt0) REVERT: K 67 ASP cc_start: 0.6964 (t70) cc_final: 0.6308 (t70) REVERT: K 73 MET cc_start: 0.8086 (mmt) cc_final: 0.7582 (mmt) REVERT: K 108 GLU cc_start: 0.7914 (mm-30) cc_final: 0.7436 (mm-30) REVERT: K 123 GLU cc_start: 0.9062 (mm-30) cc_final: 0.8511 (mm-30) REVERT: K 133 PHE cc_start: 0.7128 (m-80) cc_final: 0.6745 (m-80) REVERT: K 136 THR cc_start: 0.7161 (m) cc_final: 0.6939 (m) REVERT: K 147 MET cc_start: 0.7236 (tmm) cc_final: 0.6505 (tmm) REVERT: K 150 LEU cc_start: 0.8183 (tp) cc_final: 0.7657 (tp) REVERT: K 154 LYS cc_start: 0.8139 (mmmt) cc_final: 0.7405 (mmmt) REVERT: K 164 MET cc_start: 0.6696 (mtp) cc_final: 0.5530 (mtp) REVERT: K 165 ASN cc_start: 0.7110 (t0) cc_final: 0.6391 (t0) REVERT: K 183 TYR cc_start: 0.7862 (m-10) cc_final: 0.7425 (m-10) REVERT: K 187 LEU cc_start: 0.8394 (mt) cc_final: 0.8068 (mt) REVERT: K 194 GLU cc_start: 0.8255 (mm-30) cc_final: 0.7727 (mm-30) REVERT: K 195 ASN cc_start: 0.7890 (m-40) cc_final: 0.6882 (m-40) REVERT: K 198 GLU cc_start: 0.7162 (pt0) cc_final: 0.6856 (pt0) REVERT: K 207 LEU cc_start: 0.8524 (mt) cc_final: 0.8068 (mt) REVERT: K 216 LYS cc_start: 0.8424 (pttp) cc_final: 0.8221 (pttp) REVERT: K 233 MET cc_start: 0.8627 (mtp) cc_final: 0.8378 (mtp) REVERT: K 242 PHE cc_start: 0.8436 (m-80) cc_final: 0.8043 (m-80) REVERT: K 247 ASN cc_start: 0.7544 (m110) cc_final: 0.6994 (m110) REVERT: K 262 ARG cc_start: 0.7423 (mtp85) cc_final: 0.6912 (mtp85) REVERT: K 264 HIS cc_start: 0.7963 (p-80) cc_final: 0.7594 (p-80) REVERT: K 266 PHE cc_start: 0.6898 (m-10) cc_final: 0.6460 (m-10) REVERT: K 270 PHE cc_start: 0.7519 (t80) cc_final: 0.7313 (t80) REVERT: K 274 THR cc_start: 0.8222 (p) cc_final: 0.8012 (p) REVERT: K 280 GLN cc_start: 0.8052 (mp10) cc_final: 0.7848 (mp10) REVERT: K 281 TYR cc_start: 0.7926 (m-80) cc_final: 0.7647 (m-80) REVERT: K 290 THR cc_start: 0.8370 (m) cc_final: 0.8106 (t) REVERT: K 298 ASN cc_start: 0.8086 (t0) cc_final: 0.7860 (t0) REVERT: K 317 PHE cc_start: 0.8007 (m-80) cc_final: 0.7776 (m-10) REVERT: K 320 ARG cc_start: 0.6933 (mmm160) cc_final: 0.6411 (mmm160) REVERT: K 323 MET cc_start: 0.8307 (mmp) cc_final: 0.7921 (mmp) REVERT: K 326 VAL cc_start: 0.8433 (t) cc_final: 0.7727 (t) REVERT: K 327 ASP cc_start: 0.8391 (m-30) cc_final: 0.7955 (m-30) REVERT: K 329 GLN cc_start: 0.8446 (mm-40) cc_final: 0.7949 (mm-40) REVERT: K 330 MET cc_start: 0.8225 (mmp) cc_final: 0.7906 (mmp) REVERT: K 331 LEU cc_start: 0.8374 (tp) cc_final: 0.8119 (tp) REVERT: K 344 TRP cc_start: 0.7678 (p-90) cc_final: 0.7217 (p-90) REVERT: K 350 LYS cc_start: 0.8332 (tptp) cc_final: 0.8035 (tptp) REVERT: K 362 LYS cc_start: 0.7203 (mmmt) cc_final: 0.6723 (mmmt) REVERT: K 363 MET cc_start: 0.7887 (mmm) cc_final: 0.7223 (mmm) REVERT: K 368 ILE cc_start: 0.7725 (mp) cc_final: 0.7441 (mp) REVERT: K 383 GLU cc_start: 0.8319 (mm-30) cc_final: 0.7661 (mm-30) REVERT: K 385 PHE cc_start: 0.7954 (t80) cc_final: 0.7626 (t80) REVERT: K 389 PHE cc_start: 0.8284 (t80) cc_final: 0.7881 (t80) REVERT: K 404 ASP cc_start: 0.7738 (t0) cc_final: 0.6843 (p0) REVERT: K 408 PHE cc_start: 0.8462 (m-80) cc_final: 0.7544 (m-80) REVERT: K 414 ASN cc_start: 0.8529 (m-40) cc_final: 0.8194 (m110) REVERT: K 415 MET cc_start: 0.8131 (tpt) cc_final: 0.7820 (tpt) REVERT: K 421 GLU cc_start: 0.7752 (tt0) cc_final: 0.7065 (tt0) REVERT: K 422 TYR cc_start: 0.7554 (m-80) cc_final: 0.7142 (m-80) REVERT: T 41 ILE cc_start: 0.6446 (mm) cc_final: 0.5990 (mm) REVERT: T 46 TYR cc_start: 0.5752 (m-80) cc_final: 0.4680 (m-80) REVERT: T 71 LYS cc_start: 0.7998 (tttt) cc_final: 0.7615 (tttt) REVERT: T 74 LEU cc_start: 0.7594 (mt) cc_final: 0.7361 (mt) REVERT: T 95 MET cc_start: 0.6889 (mtt) cc_final: 0.6540 (mtt) REVERT: T 103 GLU cc_start: 0.7845 (tp30) cc_final: 0.7617 (tp30) REVERT: T 187 LYS cc_start: 0.8282 (mmtm) cc_final: 0.8054 (mmtm) REVERT: T 228 TYR cc_start: 0.6026 (m-80) cc_final: 0.5107 (m-80) REVERT: T 252 LYS cc_start: 0.8080 (mttt) cc_final: 0.7824 (mttt) REVERT: T 313 LYS cc_start: 0.7699 (mtmt) cc_final: 0.7486 (tppt) REVERT: T 318 PHE cc_start: 0.8237 (t80) cc_final: 0.7819 (t80) REVERT: T 321 ARG cc_start: 0.7700 (mtm180) cc_final: 0.7168 (mtm180) REVERT: C 11 GLN cc_start: 0.7481 (tp-100) cc_final: 0.6928 (tp-100) REVERT: C 16 MET cc_start: 0.8742 (mtm) cc_final: 0.8521 (mtm) REVERT: C 21 TRP cc_start: 0.8385 (m100) cc_final: 0.7341 (m100) REVERT: C 23 LEU cc_start: 0.8418 (tp) cc_final: 0.7553 (tp) REVERT: C 27 GLU cc_start: 0.8405 (mt-10) cc_final: 0.7976 (mt-10) REVERT: C 55 PHE cc_start: 0.6565 (p90) cc_final: 0.6326 (p90) REVERT: C 96 GLU cc_start: 0.7511 (tt0) cc_final: 0.7239 (tt0) REVERT: C 107 ASN cc_start: 0.7283 (m110) cc_final: 0.6952 (m110) REVERT: C 108 ASN cc_start: 0.7045 (t0) cc_final: 0.6349 (t0) REVERT: C 160 MET cc_start: 0.8028 (tmm) cc_final: 0.7708 (tmm) REVERT: C 189 GLU cc_start: 0.8063 (pm20) cc_final: 0.7364 (pm20) REVERT: C 206 CYS cc_start: 0.7251 (p) cc_final: 0.6879 (p) REVERT: C 220 ARG cc_start: 0.7627 (tmm-80) cc_final: 0.7247 (tpp80) REVERT: C 222 ASN cc_start: 0.8392 (m-40) cc_final: 0.7823 (m-40) REVERT: C 223 LEU cc_start: 0.7393 (mp) cc_final: 0.7153 (mp) REVERT: C 230 TYR cc_start: 0.7822 (m-10) cc_final: 0.7276 (m-80) REVERT: C 232 ASN cc_start: 0.8257 (m-40) cc_final: 0.7805 (m-40) REVERT: C 248 LEU cc_start: 0.8700 (mt) cc_final: 0.8431 (mt) REVERT: C 254 LEU cc_start: 0.8251 (tt) cc_final: 0.7880 (tt) REVERT: C 263 THR cc_start: 0.7944 (p) cc_final: 0.7690 (p) REVERT: C 265 LEU cc_start: 0.8485 (mm) cc_final: 0.8212 (mm) REVERT: C 277 THR cc_start: 0.7608 (t) cc_final: 0.6569 (p) REVERT: C 282 ILE cc_start: 0.7415 (tp) cc_final: 0.7197 (tp) REVERT: C 286 LYS cc_start: 0.7985 (ttmm) cc_final: 0.7768 (mtpt) REVERT: C 290 GLU cc_start: 0.6215 (tm-30) cc_final: 0.5535 (tm-30) REVERT: C 308 MET cc_start: 0.7882 (mpp) cc_final: 0.7313 (mpp) REVERT: C 317 LYS cc_start: 0.7653 (mttm) cc_final: 0.7437 (mttm) REVERT: C 318 TYR cc_start: 0.8534 (m-10) cc_final: 0.8254 (m-10) REVERT: C 349 PHE cc_start: 0.7923 (m-80) cc_final: 0.7610 (m-10) REVERT: C 379 ARG cc_start: 0.7982 (ptp90) cc_final: 0.7685 (mtm180) REVERT: C 400 LYS cc_start: 0.7630 (ptpt) cc_final: 0.7344 (pttm) REVERT: C 405 TYR cc_start: 0.7517 (t80) cc_final: 0.6913 (t80) REVERT: C 408 ARG cc_start: 0.6787 (mmt-90) cc_final: 0.6404 (mmt180) REVERT: C 414 TYR cc_start: 0.8570 (m-80) cc_final: 0.8336 (m-80) REVERT: C 423 GLU cc_start: 0.8329 (pm20) cc_final: 0.8102 (pm20) REVERT: C 434 LEU cc_start: 0.8664 (tt) cc_final: 0.8264 (mt) REVERT: C 437 ASP cc_start: 0.7518 (m-30) cc_final: 0.6987 (m-30) REVERT: C 440 GLU cc_start: 0.7126 (mt-10) cc_final: 0.6714 (mt-10) REVERT: L 20 PHE cc_start: 0.8610 (t80) cc_final: 0.8045 (t80) REVERT: L 21 TRP cc_start: 0.8561 (m100) cc_final: 0.8137 (m100) REVERT: L 27 GLU cc_start: 0.8325 (mt-10) cc_final: 0.7877 (mt-10) REVERT: L 62 ARG cc_start: 0.7397 (ttm110) cc_final: 0.6433 (ttm110) REVERT: L 69 GLU cc_start: 0.6151 (tm-30) cc_final: 0.5916 (tm-30) REVERT: L 73 MET cc_start: 0.8144 (mmt) cc_final: 0.7428 (mmt) REVERT: L 92 PHE cc_start: 0.8408 (p90) cc_final: 0.7973 (p90) REVERT: L 100 ASN cc_start: 0.7923 (t0) cc_final: 0.7425 (t0) REVERT: L 117 LEU cc_start: 0.8369 (mp) cc_final: 0.8164 (mp) REVERT: L 147 MET cc_start: 0.7387 (tmm) cc_final: 0.6975 (tmm) REVERT: L 154 LYS cc_start: 0.8686 (mmtt) cc_final: 0.7888 (mmtt) REVERT: L 157 GLU cc_start: 0.8413 (mt-10) cc_final: 0.7982 (mt-10) REVERT: L 181 GLU cc_start: 0.7377 (mt-10) cc_final: 0.6917 (mt-10) REVERT: L 197 ASP cc_start: 0.7103 (m-30) cc_final: 0.6819 (p0) REVERT: L 198 GLU cc_start: 0.7402 (pt0) cc_final: 0.7166 (pt0) REVERT: L 207 LEU cc_start: 0.8664 (mt) cc_final: 0.8385 (mt) REVERT: L 216 LYS cc_start: 0.8598 (ptpt) cc_final: 0.8246 (ptpt) REVERT: L 222 TYR cc_start: 0.8041 (m-80) cc_final: 0.7840 (m-80) REVERT: L 227 HIS cc_start: 0.7874 (m90) cc_final: 0.7496 (m90) REVERT: L 233 MET cc_start: 0.8845 (mtp) cc_final: 0.8387 (mtp) REVERT: L 241 ARG cc_start: 0.7487 (mtm110) cc_final: 0.6728 (ttm110) REVERT: L 242 PHE cc_start: 0.8222 (m-80) cc_final: 0.8011 (m-80) REVERT: L 257 MET cc_start: 0.7450 (mmm) cc_final: 0.7244 (mmm) REVERT: L 280 GLN cc_start: 0.8488 (mp10) cc_final: 0.7767 (mp10) REVERT: L 286 VAL cc_start: 0.8765 (m) cc_final: 0.8403 (p) REVERT: L 289 LEU cc_start: 0.8914 (mt) cc_final: 0.7915 (mt) REVERT: L 292 GLN cc_start: 0.8150 (tt0) cc_final: 0.7862 (tt0) REVERT: L 293 MET cc_start: 0.7473 (mmm) cc_final: 0.6876 (mmm) REVERT: L 297 LYS cc_start: 0.8560 (mmmt) cc_final: 0.8286 (tmmt) REVERT: L 323 MET cc_start: 0.8008 (mmp) cc_final: 0.6930 (mmp) REVERT: L 327 ASP cc_start: 0.8411 (m-30) cc_final: 0.8122 (m-30) REVERT: L 341 PHE cc_start: 0.6983 (m-80) cc_final: 0.6585 (m-80) REVERT: L 347 ASN cc_start: 0.6636 (t0) cc_final: 0.5845 (t0) REVERT: L 350 LYS cc_start: 0.8268 (tptp) cc_final: 0.7553 (tptp) REVERT: L 353 VAL cc_start: 0.8119 (m) cc_final: 0.7838 (p) REVERT: L 362 LYS cc_start: 0.6947 (mmmt) cc_final: 0.6273 (mmmt) REVERT: L 367 PHE cc_start: 0.8103 (t80) cc_final: 0.7606 (t80) REVERT: L 386 THR cc_start: 0.8640 (p) cc_final: 0.8304 (p) REVERT: L 389 PHE cc_start: 0.8560 (t80) cc_final: 0.8322 (t80) REVERT: L 390 ARG cc_start: 0.7746 (ptt90) cc_final: 0.7092 (ptt90) REVERT: L 396 HIS cc_start: 0.6783 (p-80) cc_final: 0.6526 (p-80) REVERT: L 398 TYR cc_start: 0.6526 (m-80) cc_final: 0.6012 (m-80) REVERT: L 403 MET cc_start: 0.6483 (ttt) cc_final: 0.5766 (ttt) REVERT: L 406 MET cc_start: 0.8207 (mtt) cc_final: 0.7965 (mtt) REVERT: L 407 GLU cc_start: 0.8137 (mt-10) cc_final: 0.7670 (mt-10) REVERT: L 408 PHE cc_start: 0.8033 (m-80) cc_final: 0.6875 (m-80) REVERT: L 415 MET cc_start: 0.8135 (tpt) cc_final: 0.7806 (tpt) REVERT: L 422 TYR cc_start: 0.7472 (m-80) cc_final: 0.6610 (m-80) REVERT: L 424 GLN cc_start: 0.8449 (tm-30) cc_final: 0.8091 (tm-30) REVERT: U 22 GLU cc_start: 0.6473 (mt-10) cc_final: 0.6097 (mt-10) REVERT: U 41 ILE cc_start: 0.6774 (mm) cc_final: 0.6520 (mm) REVERT: U 46 TYR cc_start: 0.5511 (m-80) cc_final: 0.5032 (m-80) REVERT: U 71 LYS cc_start: 0.8274 (tttt) cc_final: 0.8022 (tttt) REVERT: U 74 LEU cc_start: 0.7462 (mt) cc_final: 0.7229 (mt) REVERT: U 95 MET cc_start: 0.8111 (mmm) cc_final: 0.7708 (mmm) REVERT: U 103 GLU cc_start: 0.7931 (tp30) cc_final: 0.7570 (tp30) REVERT: U 228 TYR cc_start: 0.5731 (m-80) cc_final: 0.4882 (m-80) REVERT: U 256 LYS cc_start: 0.7626 (mmmt) cc_final: 0.7215 (mmmt) REVERT: U 302 CYS cc_start: 0.6289 (p) cc_final: 0.6018 (p) REVERT: U 307 TYR cc_start: 0.7974 (t80) cc_final: 0.7130 (t80) REVERT: U 321 ARG cc_start: 0.7390 (mtm180) cc_final: 0.6893 (mtm180) REVERT: D 11 GLN cc_start: 0.6380 (tp-100) cc_final: 0.5386 (tm-30) REVERT: D 15 GLN cc_start: 0.8261 (mm-40) cc_final: 0.7589 (mm110) REVERT: D 16 MET cc_start: 0.8231 (mtm) cc_final: 0.7243 (mtm) REVERT: D 31 GLN cc_start: 0.7651 (mt0) cc_final: 0.7192 (mt0) REVERT: D 72 VAL cc_start: 0.7598 (m) cc_final: 0.7056 (p) REVERT: D 83 GLU cc_start: 0.8506 (tm-30) cc_final: 0.8278 (tm-30) REVERT: D 92 LEU cc_start: 0.8134 (mt) cc_final: 0.7831 (mt) REVERT: D 93 PHE cc_start: 0.7374 (m-80) cc_final: 0.7156 (m-80) REVERT: D 119 GLU cc_start: 0.8084 (pp20) cc_final: 0.7772 (pp20) REVERT: D 124 VAL cc_start: 0.9028 (m) cc_final: 0.8773 (p) REVERT: D 160 MET cc_start: 0.7920 (tmm) cc_final: 0.7347 (tmm) REVERT: D 201 LEU cc_start: 0.8420 (tt) cc_final: 0.8220 (tt) REVERT: D 203 HIS cc_start: 0.8296 (m170) cc_final: 0.7323 (m170) REVERT: D 205 ASP cc_start: 0.7280 (m-30) cc_final: 0.6917 (m-30) REVERT: D 212 ASN cc_start: 0.8426 (m-40) cc_final: 0.8108 (m-40) REVERT: D 220 ARG cc_start: 0.7358 (mmm-85) cc_final: 0.7005 (mmm-85) REVERT: D 230 TYR cc_start: 0.7726 (m-10) cc_final: 0.7423 (m-80) REVERT: D 257 ASP cc_start: 0.7272 (p0) cc_final: 0.6520 (p0) REVERT: D 265 LEU cc_start: 0.8402 (mm) cc_final: 0.8139 (mm) REVERT: D 277 THR cc_start: 0.8097 (t) cc_final: 0.7444 (p) REVERT: D 286 LYS cc_start: 0.8123 (ttmt) cc_final: 0.7759 (ttpp) REVERT: D 308 MET cc_start: 0.7594 (mmt) cc_final: 0.6570 (mmt) REVERT: D 309 VAL cc_start: 0.8513 (p) cc_final: 0.8307 (m) REVERT: D 310 LYS cc_start: 0.8308 (mmmt) cc_final: 0.7736 (mmmt) REVERT: D 312 ASP cc_start: 0.7686 (t0) cc_final: 0.6498 (t0) REVERT: D 315 HIS cc_start: 0.7565 (m170) cc_final: 0.7329 (m170) REVERT: D 317 LYS cc_start: 0.7722 (mttm) cc_final: 0.7479 (mttm) REVERT: D 319 MET cc_start: 0.7177 (mmm) cc_final: 0.6645 (mmm) REVERT: D 325 TYR cc_start: 0.7919 (m-80) cc_final: 0.7681 (m-10) REVERT: D 344 LYS cc_start: 0.7969 (ttmm) cc_final: 0.7526 (ttmm) REVERT: D 350 VAL cc_start: 0.8873 (p) cc_final: 0.8550 (p) REVERT: D 376 LYS cc_start: 0.8256 (tmtt) cc_final: 0.7838 (tptp) REVERT: D 378 GLN cc_start: 0.8099 (mm110) cc_final: 0.7042 (mm-40) REVERT: D 379 ARG cc_start: 0.8259 (ptp90) cc_final: 0.7984 (ptp-170) REVERT: D 382 CYS cc_start: 0.7330 (p) cc_final: 0.7034 (p) REVERT: D 383 MET cc_start: 0.6620 (ttp) cc_final: 0.6404 (ttp) REVERT: D 386 ASN cc_start: 0.7454 (t0) cc_final: 0.7084 (t0) REVERT: D 397 LEU cc_start: 0.8844 (mt) cc_final: 0.8467 (mt) REVERT: D 400 LYS cc_start: 0.8499 (ptpt) cc_final: 0.8276 (ptpp) REVERT: D 401 PHE cc_start: 0.8488 (t80) cc_final: 0.7854 (t80) REVERT: D 404 MET cc_start: 0.8452 (mtm) cc_final: 0.7578 (mmt) REVERT: D 410 PHE cc_start: 0.7967 (m-80) cc_final: 0.7265 (m-80) REVERT: D 419 MET cc_start: 0.4501 (tpp) cc_final: 0.4028 (ttm) REVERT: D 437 ASP cc_start: 0.7715 (m-30) cc_final: 0.7148 (m-30) REVERT: D 440 GLU cc_start: 0.7712 (mt-10) cc_final: 0.7266 (mt-10) REVERT: D 443 ILE cc_start: 0.6669 (mt) cc_final: 0.6397 (mt) REVERT: M 11 GLN cc_start: 0.7418 (tt0) cc_final: 0.6302 (tm-30) REVERT: M 20 PHE cc_start: 0.8901 (t80) cc_final: 0.8520 (t80) REVERT: M 24 ILE cc_start: 0.8455 (pt) cc_final: 0.7946 (pt) REVERT: M 27 GLU cc_start: 0.8502 (mt-10) cc_final: 0.7829 (mt-10) REVERT: M 31 ASP cc_start: 0.7878 (t0) cc_final: 0.7479 (t70) REVERT: M 47 ILE cc_start: 0.8658 (tt) cc_final: 0.8356 (tt) REVERT: M 53 GLU cc_start: 0.4632 (tp30) cc_final: 0.4345 (tp30) REVERT: M 59 TYR cc_start: 0.7330 (m-80) cc_final: 0.5675 (m-10) REVERT: M 62 ARG cc_start: 0.7233 (ttp-110) cc_final: 0.6912 (ttm110) REVERT: M 69 GLU cc_start: 0.5987 (tm-30) cc_final: 0.5391 (tm-30) REVERT: M 73 MET cc_start: 0.8303 (mmt) cc_final: 0.7578 (mmt) REVERT: M 89 ASN cc_start: 0.8825 (m110) cc_final: 0.8602 (m-40) REVERT: M 100 ASN cc_start: 0.7735 (t0) cc_final: 0.7407 (t0) REVERT: M 113 VAL cc_start: 0.8759 (p) cc_final: 0.8454 (m) REVERT: M 117 LEU cc_start: 0.8318 (mp) cc_final: 0.8031 (mp) REVERT: M 158 GLU cc_start: 0.7657 (tt0) cc_final: 0.7325 (tt0) REVERT: M 164 MET cc_start: 0.7117 (mtp) cc_final: 0.6060 (mtp) REVERT: M 178 THR cc_start: 0.7945 (t) cc_final: 0.7364 (p) REVERT: M 181 GLU cc_start: 0.7580 (mt-10) cc_final: 0.7014 (mt-10) REVERT: M 183 TYR cc_start: 0.7716 (m-10) cc_final: 0.7418 (m-80) REVERT: M 191 GLN cc_start: 0.8015 (mm-40) cc_final: 0.7397 (mt0) REVERT: M 195 ASN cc_start: 0.8242 (m-40) cc_final: 0.6823 (m110) REVERT: M 197 ASP cc_start: 0.6931 (m-30) cc_final: 0.6587 (m-30) REVERT: M 198 GLU cc_start: 0.6642 (pt0) cc_final: 0.5744 (pt0) REVERT: M 202 ILE cc_start: 0.6826 (mt) cc_final: 0.6179 (mt) REVERT: M 215 LEU cc_start: 0.8723 (tp) cc_final: 0.8115 (tp) REVERT: M 217 LEU cc_start: 0.8695 (mt) cc_final: 0.8231 (mt) REVERT: M 233 MET cc_start: 0.8610 (mtp) cc_final: 0.8324 (mtp) REVERT: M 257 MET cc_start: 0.8055 (mmm) cc_final: 0.7243 (mmm) REVERT: M 264 HIS cc_start: 0.7955 (p-80) cc_final: 0.7150 (p-80) REVERT: M 267 MET cc_start: 0.7593 (mtp) cc_final: 0.7172 (mtp) REVERT: M 274 THR cc_start: 0.8087 (p) cc_final: 0.7784 (p) REVERT: M 276 ARG cc_start: 0.7800 (tmt170) cc_final: 0.7545 (tmt170) REVERT: M 290 THR cc_start: 0.8431 (m) cc_final: 0.8008 (p) REVERT: M 292 GLN cc_start: 0.8546 (tt0) cc_final: 0.8247 (tt0) REVERT: M 297 LYS cc_start: 0.8251 (mmmt) cc_final: 0.7640 (mmmt) REVERT: M 300 MET cc_start: 0.6195 (mpp) cc_final: 0.5782 (mpp) REVERT: M 323 MET cc_start: 0.7753 (mmp) cc_final: 0.7215 (mmp) REVERT: M 324 LYS cc_start: 0.7956 (ttpt) cc_final: 0.7465 (ttpt) REVERT: M 327 ASP cc_start: 0.8356 (m-30) cc_final: 0.7891 (m-30) REVERT: M 330 MET cc_start: 0.8515 (mmp) cc_final: 0.8072 (mmp) REVERT: M 345 ILE cc_start: 0.8797 (tp) cc_final: 0.8321 (tp) REVERT: M 348 ASN cc_start: 0.8277 (m-40) cc_final: 0.7945 (m-40) REVERT: M 359 ARG cc_start: 0.6814 (ttm-80) cc_final: 0.6452 (ttm-80) REVERT: M 362 LYS cc_start: 0.7804 (mmmt) cc_final: 0.7256 (mmmt) REVERT: M 379 LYS cc_start: 0.8313 (mmtm) cc_final: 0.7748 (mmtm) REVERT: M 388 MET cc_start: 0.8202 (mtp) cc_final: 0.7611 (mpp) REVERT: M 392 LYS cc_start: 0.8108 (mtmm) cc_final: 0.7693 (mtmm) REVERT: M 395 LEU cc_start: 0.8632 (mt) cc_final: 0.8281 (mt) REVERT: M 397 TRP cc_start: 0.7284 (m100) cc_final: 0.7056 (m100) REVERT: M 407 GLU cc_start: 0.8326 (mt-10) cc_final: 0.7887 (mt-10) REVERT: M 410 GLU cc_start: 0.7752 (mt-10) cc_final: 0.7407 (mt-10) REVERT: M 414 ASN cc_start: 0.8404 (m-40) cc_final: 0.7715 (m-40) REVERT: M 415 MET cc_start: 0.7761 (tpt) cc_final: 0.7374 (tpt) REVERT: M 421 GLU cc_start: 0.7962 (tt0) cc_final: 0.7752 (tt0) REVERT: M 426 GLN cc_start: 0.7675 (tp40) cc_final: 0.7331 (tp40) REVERT: V 22 GLU cc_start: 0.7688 (mt-10) cc_final: 0.7373 (mt-10) REVERT: V 37 ASP cc_start: 0.6467 (p0) cc_final: 0.6059 (p0) REVERT: V 46 TYR cc_start: 0.6546 (m-80) cc_final: 0.5992 (m-80) REVERT: V 70 VAL cc_start: 0.6941 (p) cc_final: 0.6598 (t) REVERT: V 71 LYS cc_start: 0.7422 (tttm) cc_final: 0.7167 (tttm) REVERT: V 95 MET cc_start: 0.7242 (mtt) cc_final: 0.6999 (mtt) REVERT: V 129 HIS cc_start: 0.5526 (m-70) cc_final: 0.5254 (m-70) REVERT: V 180 MET cc_start: 0.7803 (mpp) cc_final: 0.7402 (mpp) REVERT: V 220 GLU cc_start: 0.6053 (mm-30) cc_final: 0.5661 (mm-30) REVERT: V 230 VAL cc_start: 0.7243 (t) cc_final: 0.7036 (t) REVERT: V 256 LYS cc_start: 0.7526 (mmmt) cc_final: 0.7216 (mmmt) REVERT: V 278 ARG cc_start: 0.6769 (mtt180) cc_final: 0.6370 (mtt180) REVERT: V 284 ARG cc_start: 0.8162 (mtp85) cc_final: 0.7649 (mtp85) REVERT: V 311 GLU cc_start: 0.8174 (pm20) cc_final: 0.7899 (pm20) REVERT: E 6 SER cc_start: 0.8247 (p) cc_final: 0.8028 (t) REVERT: E 11 GLN cc_start: 0.7131 (tt0) cc_final: 0.5697 (tm-30) REVERT: E 16 MET cc_start: 0.8336 (mtm) cc_final: 0.7300 (mtm) REVERT: E 23 LEU cc_start: 0.8341 (tp) cc_final: 0.7156 (tp) REVERT: E 27 GLU cc_start: 0.7753 (mt-10) cc_final: 0.7315 (mt-10) REVERT: E 31 GLN cc_start: 0.7584 (mt0) cc_final: 0.7353 (mt0) REVERT: E 96 GLU cc_start: 0.8138 (tt0) cc_final: 0.7775 (tt0) REVERT: E 104 ASP cc_start: 0.5246 (t0) cc_final: 0.4906 (t0) REVERT: E 107 ASN cc_start: 0.7506 (t0) cc_final: 0.7223 (t0) REVERT: E 161 GLU cc_start: 0.7970 (tt0) cc_final: 0.7699 (tt0) REVERT: E 163 LEU cc_start: 0.8743 (pp) cc_final: 0.8070 (tt) REVERT: E 174 GLU cc_start: 0.7187 (mp0) cc_final: 0.6768 (mp0) REVERT: E 188 VAL cc_start: 0.8217 (OUTLIER) cc_final: 0.7816 (p) REVERT: E 189 GLU cc_start: 0.8189 (mt-10) cc_final: 0.7564 (mt-10) REVERT: E 192 ASN cc_start: 0.8182 (m-40) cc_final: 0.7870 (m-40) REVERT: E 198 HIS cc_start: 0.7932 (t-90) cc_final: 0.7377 (t70) REVERT: E 203 HIS cc_start: 0.7901 (m170) cc_final: 0.7688 (m-70) REVERT: E 215 ILE cc_start: 0.8710 (tt) cc_final: 0.8507 (tt) REVERT: E 221 ARG cc_start: 0.7582 (mtm110) cc_final: 0.7128 (ttp-110) REVERT: E 230 TYR cc_start: 0.8270 (m-80) cc_final: 0.7991 (m-80) REVERT: E 232 ASN cc_start: 0.8942 (m-40) cc_final: 0.7449 (m-40) REVERT: E 235 ARG cc_start: 0.8561 (mtt-85) cc_final: 0.7855 (mtt-85) REVERT: E 245 THR cc_start: 0.8197 (t) cc_final: 0.7952 (p) REVERT: E 258 LEU cc_start: 0.8431 (mt) cc_final: 0.7434 (mt) REVERT: E 261 PHE cc_start: 0.8265 (m-80) cc_final: 0.7780 (m-80) REVERT: E 272 HIS cc_start: 0.7722 (p90) cc_final: 0.6827 (p90) REVERT: E 286 LYS cc_start: 0.7393 (mttp) cc_final: 0.6989 (mttp) REVERT: E 309 VAL cc_start: 0.8278 (p) cc_final: 0.8062 (m) REVERT: E 311 CYS cc_start: 0.7578 (m) cc_final: 0.7285 (m) REVERT: E 312 ASP cc_start: 0.7307 (t70) cc_final: 0.7055 (t70) REVERT: E 319 MET cc_start: 0.5946 (mmm) cc_final: 0.5228 (mmm) REVERT: E 397 LEU cc_start: 0.9145 (mt) cc_final: 0.8818 (mt) REVERT: E 401 PHE cc_start: 0.8453 (t80) cc_final: 0.7645 (t80) REVERT: E 402 ASP cc_start: 0.8118 (m-30) cc_final: 0.7814 (m-30) REVERT: E 407 LYS cc_start: 0.8610 (mmmt) cc_final: 0.8169 (mmmt) REVERT: E 431 MET cc_start: 0.8108 (mmp) cc_final: 0.7631 (mmp) REVERT: E 434 LEU cc_start: 0.8796 (mm) cc_final: 0.7900 (mm) REVERT: N 3 GLU cc_start: 0.7100 (mp0) cc_final: 0.6826 (mp0) REVERT: N 22 GLU cc_start: 0.8565 (tt0) cc_final: 0.8111 (tt0) REVERT: N 27 GLU cc_start: 0.7927 (mt-10) cc_final: 0.7557 (mt-10) REVERT: N 36 TYR cc_start: 0.7738 (t80) cc_final: 0.7174 (t80) REVERT: N 68 LEU cc_start: 0.7663 (mt) cc_final: 0.7384 (mt) REVERT: N 73 MET cc_start: 0.8632 (mmt) cc_final: 0.8046 (mmt) REVERT: N 74 ASP cc_start: 0.7953 (m-30) cc_final: 0.7676 (m-30) REVERT: N 77 ARG cc_start: 0.8122 (ttm110) cc_final: 0.7474 (ttm110) REVERT: N 89 ASN cc_start: 0.8397 (m-40) cc_final: 0.7962 (m110) REVERT: N 100 ASN cc_start: 0.8608 (t0) cc_final: 0.8294 (t0) REVERT: N 106 TYR cc_start: 0.8198 (m-80) cc_final: 0.7361 (m-80) REVERT: N 121 ARG cc_start: 0.8664 (mtt90) cc_final: 0.8432 (ptp-170) REVERT: N 123 GLU cc_start: 0.8258 (mm-30) cc_final: 0.7458 (mm-30) REVERT: N 128 ASP cc_start: 0.7154 (p0) cc_final: 0.6049 (p0) REVERT: N 129 CYS cc_start: 0.7787 (m) cc_final: 0.7157 (p) REVERT: N 147 MET cc_start: 0.7329 (tmm) cc_final: 0.6937 (tmm) REVERT: N 151 LEU cc_start: 0.8705 (pp) cc_final: 0.8437 (pp) REVERT: N 154 LYS cc_start: 0.8558 (mmpt) cc_final: 0.8149 (mmpt) REVERT: N 158 GLU cc_start: 0.7972 (tt0) cc_final: 0.7746 (tt0) REVERT: N 159 TYR cc_start: 0.8346 (m-80) cc_final: 0.7582 (m-80) REVERT: N 164 MET cc_start: 0.6353 (mtp) cc_final: 0.5984 (mtp) REVERT: N 170 MET cc_start: 0.7706 (mtm) cc_final: 0.7319 (mpp) REVERT: N 197 ASP cc_start: 0.6302 (m-30) cc_final: 0.5687 (m-30) REVERT: N 202 ILE cc_start: 0.6855 (mt) cc_final: 0.6184 (mt) REVERT: N 205 GLU cc_start: 0.7360 (pt0) cc_final: 0.6630 (pt0) REVERT: N 257 MET cc_start: 0.6871 (mtt) cc_final: 0.6205 (mtt) REVERT: N 262 ARG cc_start: 0.7737 (mtp85) cc_final: 0.7348 (mtp180) REVERT: N 264 HIS cc_start: 0.8109 (p-80) cc_final: 0.7264 (p-80) REVERT: N 270 PHE cc_start: 0.7700 (t80) cc_final: 0.6991 (t80) REVERT: N 289 LEU cc_start: 0.8698 (mt) cc_final: 0.7866 (mt) REVERT: N 292 GLN cc_start: 0.8594 (tt0) cc_final: 0.7810 (tt0) REVERT: N 293 MET cc_start: 0.7489 (mmm) cc_final: 0.6610 (mmm) REVERT: N 297 LYS cc_start: 0.7941 (mmmt) cc_final: 0.7449 (mmmt) REVERT: N 324 LYS cc_start: 0.8334 (ttpt) cc_final: 0.7984 (ttpt) REVERT: N 326 VAL cc_start: 0.9181 (t) cc_final: 0.8705 (t) REVERT: N 327 ASP cc_start: 0.8724 (m-30) cc_final: 0.8393 (m-30) REVERT: N 330 MET cc_start: 0.8260 (mmp) cc_final: 0.7894 (mmp) REVERT: N 347 ASN cc_start: 0.7299 (t0) cc_final: 0.7032 (t0) REVERT: N 350 LYS cc_start: 0.7995 (tmtt) cc_final: 0.7772 (tmtt) REVERT: N 362 LYS cc_start: 0.7893 (mmmt) cc_final: 0.7035 (mmmt) REVERT: N 363 MET cc_start: 0.7490 (mmm) cc_final: 0.7059 (mmp) REVERT: N 367 PHE cc_start: 0.8297 (t80) cc_final: 0.7620 (t80) REVERT: N 381 ILE cc_start: 0.8454 (mm) cc_final: 0.8142 (mm) REVERT: N 388 MET cc_start: 0.7849 (mtp) cc_final: 0.7014 (mmp) REVERT: N 390 ARG cc_start: 0.7821 (ptt90) cc_final: 0.7412 (ptt90) REVERT: N 391 ARG cc_start: 0.7381 (ttt180) cc_final: 0.6921 (ttt180) REVERT: N 392 LYS cc_start: 0.7641 (mtmm) cc_final: 0.7025 (mmtm) REVERT: N 397 TRP cc_start: 0.6961 (m100) cc_final: 0.5959 (m100) REVERT: N 407 GLU cc_start: 0.8273 (mt-10) cc_final: 0.7590 (mt-10) REVERT: N 415 MET cc_start: 0.8280 (tpt) cc_final: 0.7668 (tpp) REVERT: N 417 ASP cc_start: 0.7152 (m-30) cc_final: 0.6941 (m-30) REVERT: N 425 TYR cc_start: 0.8175 (m-80) cc_final: 0.6954 (m-80) REVERT: W 10 LYS cc_start: 0.7297 (mttt) cc_final: 0.7031 (mttt) REVERT: W 46 TYR cc_start: 0.6429 (m-10) cc_final: 0.5974 (m-80) REVERT: W 95 MET cc_start: 0.7144 (mtt) cc_final: 0.6694 (mtt) REVERT: W 114 ASP cc_start: 0.7780 (t0) cc_final: 0.7294 (p0) REVERT: W 171 ARG cc_start: 0.6790 (mtt180) cc_final: 0.6405 (mtt180) REVERT: W 185 GLU cc_start: 0.7323 (pp20) cc_final: 0.6397 (pp20) REVERT: W 311 GLU cc_start: 0.8578 (pm20) cc_final: 0.8166 (pm20) REVERT: F 11 GLN cc_start: 0.7181 (tp40) cc_final: 0.6756 (tp-100) REVERT: F 15 GLN cc_start: 0.8475 (mm-40) cc_final: 0.8089 (mm-40) REVERT: F 18 ASN cc_start: 0.8627 (t0) cc_final: 0.8038 (t0) REVERT: F 21 TRP cc_start: 0.8178 (m100) cc_final: 0.7492 (m100) REVERT: F 23 LEU cc_start: 0.8323 (tp) cc_final: 0.7968 (tp) REVERT: F 24 TYR cc_start: 0.8024 (m-80) cc_final: 0.7403 (m-80) REVERT: F 72 VAL cc_start: 0.7823 (m) cc_final: 0.7469 (p) REVERT: F 79 THR cc_start: 0.8103 (p) cc_final: 0.7752 (p) REVERT: F 96 GLU cc_start: 0.7308 (tt0) cc_final: 0.7004 (tt0) REVERT: F 134 GLN cc_start: 0.7335 (pp30) cc_final: 0.6902 (tm-30) REVERT: F 144 PHE cc_start: 0.7377 (m-80) cc_final: 0.6574 (m-80) REVERT: F 160 MET cc_start: 0.7957 (tmm) cc_final: 0.7376 (tmm) REVERT: F 175 PHE cc_start: 0.6791 (m-10) cc_final: 0.6515 (m-10) REVERT: F 189 GLU cc_start: 0.7477 (pm20) cc_final: 0.7155 (pm20) REVERT: F 192 ASN cc_start: 0.8176 (m-40) cc_final: 0.7751 (m-40) REVERT: F 205 ASP cc_start: 0.7242 (m-30) cc_final: 0.6764 (m-30) REVERT: F 215 ILE cc_start: 0.7982 (tt) cc_final: 0.7759 (tp) REVERT: F 230 TYR cc_start: 0.7307 (m-10) cc_final: 0.6728 (m-80) REVERT: F 235 ARG cc_start: 0.7518 (mtt-85) cc_final: 0.7146 (mtt-85) REVERT: F 277 THR cc_start: 0.7191 (t) cc_final: 0.5729 (p) REVERT: F 286 LYS cc_start: 0.8368 (ttmm) cc_final: 0.7995 (mtpp) REVERT: F 308 MET cc_start: 0.7300 (mpp) cc_final: 0.6727 (mpp) REVERT: F 355 THR cc_start: 0.8175 (p) cc_final: 0.7736 (p) REVERT: F 386 ASN cc_start: 0.6930 (t0) cc_final: 0.6653 (t0) REVERT: F 404 MET cc_start: 0.7127 (mmt) cc_final: 0.6829 (mmt) REVERT: F 426 GLU cc_start: 0.8283 (mm-30) cc_final: 0.7823 (mm-30) REVERT: F 440 GLU cc_start: 0.7254 (mt-10) cc_final: 0.6734 (mt-10) REVERT: O 11 GLN cc_start: 0.7197 (mt0) cc_final: 0.6951 (mt0) REVERT: O 20 PHE cc_start: 0.8467 (t80) cc_final: 0.8203 (t80) REVERT: O 73 MET cc_start: 0.8089 (mmt) cc_final: 0.7243 (mmt) REVERT: O 74 ASP cc_start: 0.7991 (m-30) cc_final: 0.7689 (m-30) REVERT: O 78 SER cc_start: 0.8243 (m) cc_final: 0.7819 (p) REVERT: O 83 GLN cc_start: 0.7899 (mm-40) cc_final: 0.7677 (mm-40) REVERT: O 89 ASN cc_start: 0.8674 (m110) cc_final: 0.8394 (m110) REVERT: O 94 GLN cc_start: 0.7560 (tt0) cc_final: 0.7321 (tt0) REVERT: O 100 ASN cc_start: 0.8105 (t0) cc_final: 0.7814 (t0) REVERT: O 112 LEU cc_start: 0.8524 (tp) cc_final: 0.8259 (tp) REVERT: O 123 GLU cc_start: 0.9135 (mm-30) cc_final: 0.8676 (mm-30) REVERT: O 138 SER cc_start: 0.7791 (p) cc_final: 0.7570 (m) REVERT: O 147 MET cc_start: 0.7281 (tmm) cc_final: 0.6927 (tmm) REVERT: O 151 LEU cc_start: 0.8730 (pp) cc_final: 0.8469 (pp) REVERT: O 164 MET cc_start: 0.7329 (mtp) cc_final: 0.6520 (mtp) REVERT: O 181 GLU cc_start: 0.7702 (mt-10) cc_final: 0.7226 (mt-10) REVERT: O 183 TYR cc_start: 0.7872 (m-10) cc_final: 0.7616 (m-80) REVERT: O 187 LEU cc_start: 0.8305 (mt) cc_final: 0.8024 (mt) REVERT: O 195 ASN cc_start: 0.7485 (m-40) cc_final: 0.6782 (m-40) REVERT: O 197 ASP cc_start: 0.6885 (m-30) cc_final: 0.6444 (p0) REVERT: O 198 GLU cc_start: 0.7504 (pt0) cc_final: 0.6799 (pt0) REVERT: O 200 TYR cc_start: 0.7934 (m-80) cc_final: 0.7378 (m-10) REVERT: O 222 TYR cc_start: 0.7474 (m-80) cc_final: 0.7154 (m-80) REVERT: O 233 MET cc_start: 0.8466 (mtp) cc_final: 0.8172 (mtp) REVERT: O 247 ASN cc_start: 0.7269 (m110) cc_final: 0.7043 (m110) REVERT: O 253 LEU cc_start: 0.8552 (mp) cc_final: 0.7821 (mm) REVERT: O 264 HIS cc_start: 0.7583 (p-80) cc_final: 0.7006 (p-80) REVERT: O 276 ARG cc_start: 0.7725 (tmt170) cc_final: 0.7520 (tmt170) REVERT: O 286 VAL cc_start: 0.8754 (m) cc_final: 0.8406 (p) REVERT: O 289 LEU cc_start: 0.8917 (mt) cc_final: 0.8592 (mt) REVERT: O 311 LEU cc_start: 0.7010 (mt) cc_final: 0.6569 (mt) REVERT: O 321 MET cc_start: 0.8266 (ptp) cc_final: 0.7294 (pmm) REVERT: O 323 MET cc_start: 0.7787 (mmp) cc_final: 0.6901 (tpt) REVERT: O 327 ASP cc_start: 0.8560 (m-30) cc_final: 0.8133 (m-30) REVERT: O 341 PHE cc_start: 0.7412 (m-80) cc_final: 0.7084 (m-80) REVERT: O 362 LYS cc_start: 0.7516 (mmmt) cc_final: 0.6587 (mmmt) REVERT: O 363 MET cc_start: 0.7664 (mmm) cc_final: 0.7395 (mmm) REVERT: O 367 PHE cc_start: 0.7846 (t80) cc_final: 0.7538 (t80) REVERT: O 375 GLN cc_start: 0.7577 (pp30) cc_final: 0.7215 (pp30) REVERT: O 392 LYS cc_start: 0.8479 (mtmm) cc_final: 0.8178 (mtmm) REVERT: O 396 HIS cc_start: 0.7003 (p-80) cc_final: 0.6704 (p90) REVERT: O 408 PHE cc_start: 0.7826 (m-80) cc_final: 0.7061 (m-80) REVERT: O 422 TYR cc_start: 0.6992 (m-80) cc_final: 0.6789 (m-80) REVERT: X 17 PRO cc_start: 0.6740 (Cg_endo) cc_final: 0.6530 (Cg_exo) REVERT: X 127 GLU cc_start: 0.5951 (tt0) cc_final: 0.5262 (tt0) REVERT: X 201 SER cc_start: 0.5310 (p) cc_final: 0.5093 (p) REVERT: X 220 GLU cc_start: 0.6817 (mm-30) cc_final: 0.6574 (mp0) REVERT: X 302 CYS cc_start: 0.7274 (m) cc_final: 0.6888 (m) REVERT: G 11 GLN cc_start: 0.5812 (tp-100) cc_final: 0.5240 (tm-30) REVERT: G 23 LEU cc_start: 0.8168 (tp) cc_final: 0.7590 (tp) REVERT: G 27 GLU cc_start: 0.8027 (mt-10) cc_final: 0.7358 (mt-10) REVERT: G 31 GLN cc_start: 0.6665 (mt0) cc_final: 0.6430 (mt0) REVERT: G 91 GLN cc_start: 0.7408 (mm-40) cc_final: 0.6681 (mm-40) REVERT: G 93 PHE cc_start: 0.7230 (m-80) cc_final: 0.6790 (m-80) REVERT: G 134 GLN cc_start: 0.8610 (tm-30) cc_final: 0.8281 (tm-30) REVERT: G 163 LEU cc_start: 0.7891 (pp) cc_final: 0.7427 (pp) REVERT: G 169 LYS cc_start: 0.8504 (ptpp) cc_final: 0.8265 (ptpp) REVERT: G 174 GLU cc_start: 0.6865 (mp0) cc_final: 0.5709 (mp0) REVERT: G 188 VAL cc_start: 0.8343 (m) cc_final: 0.7766 (t) REVERT: G 199 THR cc_start: 0.8065 (p) cc_final: 0.7656 (p) REVERT: G 205 ASP cc_start: 0.7538 (m-30) cc_final: 0.7110 (m-30) REVERT: G 206 CYS cc_start: 0.6988 (p) cc_final: 0.5619 (p) REVERT: G 208 PHE cc_start: 0.6686 (m-10) cc_final: 0.6483 (m-10) REVERT: G 217 ASP cc_start: 0.7697 (t0) cc_final: 0.7315 (t0) REVERT: G 235 ARG cc_start: 0.7634 (mtt-85) cc_final: 0.7245 (tpp80) REVERT: G 236 LEU cc_start: 0.7647 (pt) cc_final: 0.7441 (pt) REVERT: G 248 LEU cc_start: 0.8506 (mt) cc_final: 0.8269 (mp) REVERT: G 258 LEU cc_start: 0.8232 (mt) cc_final: 0.7809 (mm) REVERT: G 277 THR cc_start: 0.8090 (t) cc_final: 0.7573 (p) REVERT: G 282 ILE cc_start: 0.7863 (tp) cc_final: 0.7512 (tp) REVERT: G 283 SER cc_start: 0.7978 (p) cc_final: 0.7625 (p) REVERT: G 290 GLU cc_start: 0.6757 (tm-30) cc_final: 0.6049 (tm-30) REVERT: G 291 GLN cc_start: 0.6901 (tm130) cc_final: 0.6398 (tm-30) REVERT: G 299 ASN cc_start: 0.8209 (m110) cc_final: 0.7950 (m110) REVERT: G 303 GLU cc_start: 0.8004 (tm-30) cc_final: 0.7647 (tm-30) REVERT: G 312 ASP cc_start: 0.7933 (t0) cc_final: 0.6751 (t0) REVERT: G 315 HIS cc_start: 0.7747 (m90) cc_final: 0.7386 (m170) REVERT: G 321 CYS cc_start: 0.7689 (t) cc_final: 0.7158 (t) REVERT: G 324 LEU cc_start: 0.7620 (mp) cc_final: 0.7099 (mp) REVERT: G 330 VAL cc_start: 0.8384 (m) cc_final: 0.8093 (p) REVERT: G 363 TYR cc_start: 0.7149 (m-80) cc_final: 0.6848 (m-80) REVERT: G 369 VAL cc_start: 0.8272 (t) cc_final: 0.7748 (p) REVERT: G 382 CYS cc_start: 0.6599 (p) cc_final: 0.6075 (p) REVERT: G 383 MET cc_start: 0.7185 (ttm) cc_final: 0.6679 (ttm) REVERT: G 404 MET cc_start: 0.8646 (mtm) cc_final: 0.8253 (mtp) REVERT: G 407 LYS cc_start: 0.8570 (mmmt) cc_final: 0.8111 (mmmm) REVERT: G 426 GLU cc_start: 0.8007 (mm-30) cc_final: 0.7176 (mm-30) REVERT: G 440 GLU cc_start: 0.7804 (mt-10) cc_final: 0.7326 (mt-10) REVERT: P 11 GLN cc_start: 0.7595 (tt0) cc_final: 0.6931 (tm-30) REVERT: P 15 GLN cc_start: 0.8246 (mm110) cc_final: 0.8026 (mm-40) REVERT: P 19 LYS cc_start: 0.8016 (tptt) cc_final: 0.7121 (tptt) REVERT: P 21 TRP cc_start: 0.8038 (m100) cc_final: 0.7781 (m100) REVERT: P 47 ILE cc_start: 0.8399 (tt) cc_final: 0.8148 (tt) REVERT: P 58 LYS cc_start: 0.7656 (ttmt) cc_final: 0.7353 (ttmt) REVERT: P 67 ASP cc_start: 0.7413 (t70) cc_final: 0.6234 (t0) REVERT: P 73 MET cc_start: 0.8475 (mmt) cc_final: 0.7856 (mmt) REVERT: P 74 ASP cc_start: 0.8207 (m-30) cc_final: 0.7911 (m-30) REVERT: P 89 ASN cc_start: 0.8616 (m-40) cc_final: 0.8184 (m-40) REVERT: P 117 LEU cc_start: 0.7823 (mp) cc_final: 0.7601 (mt) REVERT: P 134 GLN cc_start: 0.6932 (tp-100) cc_final: 0.6349 (tp-100) REVERT: P 147 MET cc_start: 0.7318 (tmm) cc_final: 0.6913 (tmm) REVERT: P 160 PRO cc_start: 0.8096 (Cg_endo) cc_final: 0.7894 (Cg_exo) REVERT: P 164 MET cc_start: 0.7148 (mtp) cc_final: 0.6118 (mpp) REVERT: P 165 ASN cc_start: 0.7423 (t0) cc_final: 0.6529 (t0) REVERT: P 181 GLU cc_start: 0.7257 (mt-10) cc_final: 0.6842 (mt-10) REVERT: P 184 ASN cc_start: 0.7962 (m-40) cc_final: 0.7681 (m-40) REVERT: P 187 LEU cc_start: 0.8628 (mt) cc_final: 0.8394 (mt) REVERT: P 195 ASN cc_start: 0.8168 (m-40) cc_final: 0.7766 (m-40) REVERT: P 197 ASP cc_start: 0.6926 (m-30) cc_final: 0.5650 (m-30) REVERT: P 198 GLU cc_start: 0.6856 (pt0) cc_final: 0.6625 (pt0) REVERT: P 202 ILE cc_start: 0.5717 (mt) cc_final: 0.5202 (mt) REVERT: P 216 LYS cc_start: 0.8748 (ptpt) cc_final: 0.8444 (ptpt) REVERT: P 225 LEU cc_start: 0.8242 (mm) cc_final: 0.7977 (mm) REVERT: P 251 ARG cc_start: 0.8252 (tpp80) cc_final: 0.7989 (tpp80) REVERT: P 262 ARG cc_start: 0.7987 (mtp85) cc_final: 0.7499 (mtp180) REVERT: P 264 HIS cc_start: 0.7784 (p-80) cc_final: 0.6754 (p-80) REVERT: P 288 GLU cc_start: 0.6959 (tt0) cc_final: 0.6312 (tt0) REVERT: P 289 LEU cc_start: 0.8625 (mt) cc_final: 0.8345 (mt) REVERT: P 290 THR cc_start: 0.8170 (m) cc_final: 0.7620 (p) REVERT: P 297 LYS cc_start: 0.7978 (mmmt) cc_final: 0.7449 (mmmt) REVERT: P 299 MET cc_start: 0.6972 (mtm) cc_final: 0.6572 (mtm) REVERT: P 300 MET cc_start: 0.7071 (mtm) cc_final: 0.6758 (mtm) REVERT: P 318 ARG cc_start: 0.6853 (ttp-170) cc_final: 0.5953 (ttp-110) REVERT: P 320 ARG cc_start: 0.6938 (mmm160) cc_final: 0.6606 (mmm160) REVERT: P 323 MET cc_start: 0.7642 (mmp) cc_final: 0.6060 (mmp) REVERT: P 327 ASP cc_start: 0.8566 (m-30) cc_final: 0.8207 (m-30) REVERT: P 330 MET cc_start: 0.8348 (mmp) cc_final: 0.8113 (mmp) REVERT: P 336 LYS cc_start: 0.8499 (mtmm) cc_final: 0.8190 (mtmm) REVERT: P 337 ASN cc_start: 0.7892 (m-40) cc_final: 0.7029 (t0) REVERT: P 350 LYS cc_start: 0.8053 (tptp) cc_final: 0.7631 (tptp) REVERT: P 351 THR cc_start: 0.7822 (p) cc_final: 0.7542 (p) REVERT: P 362 LYS cc_start: 0.7648 (mmmt) cc_final: 0.6673 (mmmt) REVERT: P 363 MET cc_start: 0.7962 (mmm) cc_final: 0.7391 (mmm) REVERT: P 364 SER cc_start: 0.7452 (m) cc_final: 0.7110 (p) REVERT: P 374 ILE cc_start: 0.7895 (tp) cc_final: 0.7679 (tp) REVERT: P 379 LYS cc_start: 0.8196 (mmtp) cc_final: 0.7587 (mmtp) REVERT: P 383 GLU cc_start: 0.8177 (mm-30) cc_final: 0.7878 (mm-30) REVERT: P 388 MET cc_start: 0.7840 (mtp) cc_final: 0.7529 (mpp) REVERT: P 390 ARG cc_start: 0.7956 (ptt90) cc_final: 0.7585 (ptt90) REVERT: P 395 LEU cc_start: 0.8186 (mt) cc_final: 0.7742 (mt) REVERT: P 410 GLU cc_start: 0.7927 (mt-10) cc_final: 0.7498 (mt-10) REVERT: P 413 SER cc_start: 0.6973 (t) cc_final: 0.6727 (p) REVERT: P 414 ASN cc_start: 0.8276 (m-40) cc_final: 0.7963 (m-40) REVERT: Z 18 LEU cc_start: 0.7907 (mt) cc_final: 0.7672 (mt) REVERT: Z 27 ASP cc_start: 0.5181 (m-30) cc_final: 0.3649 (m-30) REVERT: Z 185 GLU cc_start: 0.5689 (pp20) cc_final: 0.5188 (pp20) REVERT: Z 252 LYS cc_start: 0.7532 (mttt) cc_final: 0.7060 (mttt) REVERT: Z 282 MET cc_start: 0.7844 (tpt) cc_final: 0.7317 (tpt) REVERT: Z 311 GLU cc_start: 0.8410 (mp0) cc_final: 0.7696 (mp0) REVERT: H 11 GLN cc_start: 0.6458 (tp-100) cc_final: 0.5277 (tp40) REVERT: H 15 GLN cc_start: 0.7723 (mm-40) cc_final: 0.6982 (mm110) REVERT: H 16 MET cc_start: 0.7789 (mtm) cc_final: 0.6683 (mmt) REVERT: H 31 GLN cc_start: 0.7647 (mt0) cc_final: 0.7299 (mt0) REVERT: H 75 ASP cc_start: 0.6142 (t0) cc_final: 0.5913 (t0) REVERT: H 83 GLU cc_start: 0.7789 (tm-30) cc_final: 0.7426 (tm-30) REVERT: H 84 ILE cc_start: 0.8898 (mt) cc_final: 0.8473 (mm) REVERT: H 93 PHE cc_start: 0.7106 (m-80) cc_final: 0.6528 (m-80) REVERT: H 96 GLU cc_start: 0.7581 (tt0) cc_final: 0.7055 (tt0) REVERT: H 104 ASP cc_start: 0.5262 (t0) cc_final: 0.4907 (t0) REVERT: H 120 ILE cc_start: 0.8416 (tp) cc_final: 0.8174 (tp) REVERT: H 161 GLU cc_start: 0.7834 (tt0) cc_final: 0.7543 (tt0) REVERT: H 163 LEU cc_start: 0.8502 (pp) cc_final: 0.7884 (tt) REVERT: H 174 GLU cc_start: 0.7356 (mp0) cc_final: 0.6286 (mp0) REVERT: H 198 HIS cc_start: 0.7563 (t-90) cc_final: 0.6803 (t-90) REVERT: H 203 HIS cc_start: 0.7825 (m-70) cc_final: 0.7485 (m-70) REVERT: H 206 CYS cc_start: 0.7704 (p) cc_final: 0.6790 (p) REVERT: H 209 MET cc_start: 0.8051 (mmm) cc_final: 0.7439 (mmm) REVERT: H 218 ILE cc_start: 0.8573 (mm) cc_final: 0.8337 (mm) REVERT: H 221 ARG cc_start: 0.7506 (ttm110) cc_final: 0.6953 (ttp-110) REVERT: H 222 ASN cc_start: 0.8428 (m-40) cc_final: 0.8136 (m-40) REVERT: H 232 ASN cc_start: 0.8730 (m110) cc_final: 0.7363 (m110) REVERT: H 235 ARG cc_start: 0.8377 (mtt-85) cc_final: 0.7727 (mtt-85) REVERT: H 272 HIS cc_start: 0.7409 (p90) cc_final: 0.6338 (p90) REVERT: H 303 GLU cc_start: 0.7648 (tm-30) cc_final: 0.7343 (tm-30) REVERT: H 308 MET cc_start: 0.7346 (mpp) cc_final: 0.7001 (mmt) REVERT: H 311 CYS cc_start: 0.7888 (m) cc_final: 0.7593 (m) REVERT: H 312 ASP cc_start: 0.8028 (t0) cc_final: 0.7626 (t0) REVERT: H 317 LYS cc_start: 0.7850 (mttm) cc_final: 0.6877 (mmtm) REVERT: H 319 MET cc_start: 0.6007 (mmm) cc_final: 0.5257 (mmm) REVERT: H 325 TYR cc_start: 0.7652 (m-80) cc_final: 0.7328 (m-80) REVERT: H 382 CYS cc_start: 0.7503 (p) cc_final: 0.7102 (p) REVERT: H 407 LYS cc_start: 0.8748 (mmmt) cc_final: 0.8234 (mmmt) REVERT: H 426 GLU cc_start: 0.7728 (mm-30) cc_final: 0.7325 (mm-30) REVERT: H 430 ASP cc_start: 0.8136 (t0) cc_final: 0.7674 (t0) REVERT: H 431 MET cc_start: 0.8198 (mmp) cc_final: 0.7637 (mmp) REVERT: R 3 GLU cc_start: 0.6932 (mp0) cc_final: 0.6179 (mp0) REVERT: R 66 VAL cc_start: 0.7541 (t) cc_final: 0.7280 (p) REVERT: R 73 MET cc_start: 0.8383 (mmt) cc_final: 0.7655 (mmt) REVERT: R 74 ASP cc_start: 0.8094 (m-30) cc_final: 0.7777 (m-30) REVERT: R 89 ASN cc_start: 0.8145 (m110) cc_final: 0.7931 (m-40) REVERT: R 100 ASN cc_start: 0.8326 (t0) cc_final: 0.8023 (t0) REVERT: R 121 ARG cc_start: 0.8335 (mtt180) cc_final: 0.7979 (ptp-110) REVERT: R 128 ASP cc_start: 0.7247 (p0) cc_final: 0.6575 (p0) REVERT: R 129 CYS cc_start: 0.7332 (t) cc_final: 0.5946 (p) REVERT: R 164 MET cc_start: 0.5853 (mtp) cc_final: 0.5237 (mtp) REVERT: R 167 PHE cc_start: 0.8113 (m-80) cc_final: 0.7368 (m-80) REVERT: R 183 TYR cc_start: 0.7686 (m-10) cc_final: 0.7372 (m-80) REVERT: R 198 GLU cc_start: 0.7035 (pm20) cc_final: 0.6327 (pm20) REVERT: R 215 LEU cc_start: 0.8031 (tp) cc_final: 0.7545 (tp) REVERT: R 216 LYS cc_start: 0.8033 (ptmt) cc_final: 0.7588 (ptmt) REVERT: R 217 LEU cc_start: 0.8487 (mm) cc_final: 0.7928 (mm) REVERT: R 224 ASP cc_start: 0.8105 (m-30) cc_final: 0.7863 (m-30) REVERT: R 225 LEU cc_start: 0.8675 (mm) cc_final: 0.8029 (pp) REVERT: R 226 ASN cc_start: 0.7733 (m-40) cc_final: 0.7160 (m-40) REVERT: R 264 HIS cc_start: 0.7989 (p-80) cc_final: 0.6637 (p-80) REVERT: R 266 PHE cc_start: 0.7308 (m-10) cc_final: 0.7051 (m-10) REVERT: R 267 MET cc_start: 0.7309 (ttp) cc_final: 0.6533 (ttp) REVERT: R 287 PRO cc_start: 0.7994 (Cg_exo) cc_final: 0.7734 (Cg_endo) REVERT: R 289 LEU cc_start: 0.8232 (mt) cc_final: 0.7890 (pp) REVERT: R 290 THR cc_start: 0.8526 (m) cc_final: 0.8252 (p) REVERT: R 292 GLN cc_start: 0.8517 (tt0) cc_final: 0.8150 (tt0) REVERT: R 293 MET cc_start: 0.7883 (mtp) cc_final: 0.7317 (mtp) REVERT: R 297 LYS cc_start: 0.7726 (mmmt) cc_final: 0.7399 (mmmt) REVERT: R 298 ASN cc_start: 0.8100 (t0) cc_final: 0.7667 (t0) REVERT: R 300 MET cc_start: 0.6162 (mpp) cc_final: 0.5902 (mpp) REVERT: R 303 CYS cc_start: 0.5910 (m) cc_final: 0.5112 (m) REVERT: R 326 VAL cc_start: 0.9200 (t) cc_final: 0.8479 (t) REVERT: R 327 ASP cc_start: 0.8824 (m-30) cc_final: 0.8435 (m-30) REVERT: R 328 GLU cc_start: 0.7438 (pp20) cc_final: 0.6937 (pp20) REVERT: R 330 MET cc_start: 0.8321 (mmp) cc_final: 0.7941 (mmp) REVERT: R 347 ASN cc_start: 0.7834 (t0) cc_final: 0.7509 (t0) REVERT: R 362 LYS cc_start: 0.8124 (mmmt) cc_final: 0.7244 (mmmt) REVERT: R 363 MET cc_start: 0.8083 (mmm) cc_final: 0.7657 (mmp) REVERT: R 375 GLN cc_start: 0.7220 (tt0) cc_final: 0.6844 (tt0) REVERT: R 379 LYS cc_start: 0.7975 (mmtm) cc_final: 0.7418 (mmtm) REVERT: R 390 ARG cc_start: 0.7693 (ptt90) cc_final: 0.7410 (ptt90) REVERT: R 392 LYS cc_start: 0.7642 (mtmm) cc_final: 0.7104 (mmtm) REVERT: R 397 TRP cc_start: 0.6641 (m100) cc_final: 0.6095 (m100) REVERT: R 410 GLU cc_start: 0.7856 (mt-10) cc_final: 0.7449 (mt-10) REVERT: R 421 GLU cc_start: 0.7203 (tt0) cc_final: 0.6806 (tp30) REVERT: a 36 GLU cc_start: 0.7050 (mt-10) cc_final: 0.6546 (mt-10) REVERT: a 44 LYS cc_start: 0.6871 (tmtt) cc_final: 0.6434 (tmtt) REVERT: a 95 MET cc_start: 0.7287 (mtt) cc_final: 0.6892 (mtt) REVERT: a 103 GLU cc_start: 0.7816 (tp30) cc_final: 0.6633 (tp30) REVERT: a 138 TYR cc_start: 0.6644 (t80) cc_final: 0.5751 (t80) REVERT: a 176 PRO cc_start: 0.5948 (Cg_endo) cc_final: 0.5718 (Cg_exo) REVERT: a 178 GLU cc_start: 0.7728 (mt-10) cc_final: 0.7184 (mt-10) REVERT: a 248 LEU cc_start: 0.8042 (mt) cc_final: 0.7565 (mt) REVERT: a 252 LYS cc_start: 0.6991 (mttt) cc_final: 0.6629 (mttt) REVERT: a 268 LEU cc_start: 0.8225 (mt) cc_final: 0.7975 (mt) REVERT: a 282 MET cc_start: 0.8423 (tpt) cc_final: 0.8053 (tpt) REVERT: a 307 TYR cc_start: 0.6178 (t80) cc_final: 0.5898 (t80) REVERT: a 308 ASN cc_start: 0.7337 (m-40) cc_final: 0.7007 (m-40) REVERT: a 310 SER cc_start: 0.8494 (t) cc_final: 0.7978 (m) REVERT: a 311 GLU cc_start: 0.8609 (pm20) cc_final: 0.8026 (pm20) outliers start: 12 outliers final: 2 residues processed: 3747 average time/residue: 0.7844 time to fit residues: 4958.6385 Evaluate side-chains 3595 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 3591 time to evaluate : 6.879 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 938 optimal weight: 1.9990 chunk 714 optimal weight: 0.8980 chunk 492 optimal weight: 2.9990 chunk 105 optimal weight: 10.0000 chunk 453 optimal weight: 7.9990 chunk 637 optimal weight: 9.9990 chunk 953 optimal weight: 0.0970 chunk 1009 optimal weight: 7.9990 chunk 497 optimal weight: 0.9980 chunk 903 optimal weight: 9.9990 chunk 271 optimal weight: 5.9990 overall best weight: 1.3982 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 306 ASN ** I 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 48 ASN Q 184 ASN Q 292 GLN Q 298 ASN Q 375 GLN Q 396 HIS ** A 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 198 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 375 GLN J 423 GLN J 426 GLN B 139 GLN B 192 ASN B 255 ASN B 262 GLN B 335 ASN ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 227 HIS ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 117 ASN ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 315 HIS ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 337 ASN ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 117 ASN ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 97 GLN ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 192 ASN D 203 HIS D 255 ASN D 291 GLN D 335 ASN M 6 HIS M 57 ASN ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 145 HIS E 291 GLN ** E 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 412 HIS ** N 105 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 337 ASN ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 198 HIS F 306 ASN ** O 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 424 GLN O 426 GLN ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 198 HIS G 262 GLN G 289 HIS G 291 GLN ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 28 HIS ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 99 ASN ** R 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 58 GLN a 255 ASN Total number of N/Q/H flips: 44 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6664 moved from start: 0.4208 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.040 85869 Z= 0.167 Angle : 0.566 11.277 116442 Z= 0.284 Chirality : 0.045 0.257 12780 Planarity : 0.004 0.070 15093 Dihedral : 8.468 150.224 12231 Min Nonbonded Distance : 2.108 Molprobity Statistics. All-atom Clashscore : 12.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.64 % Favored : 97.36 % Rotamer: Outliers : 0.10 % Allowed : 2.94 % Favored : 96.97 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.17 (0.08), residues: 10530 helix: -0.38 (0.08), residues: 4230 sheet: -0.86 (0.12), residues: 1836 loop : -0.96 (0.09), residues: 4464 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP J 344 HIS 0.010 0.001 HIS G 289 PHE 0.030 0.001 PHE M 389 TYR 0.037 0.001 TYR G 230 ARG 0.009 0.000 ARG G 408 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3749 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 9 poor density : 3740 time to evaluate : 6.750 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 11 GLN cc_start: 0.6874 (tp-100) cc_final: 0.6551 (tp40) REVERT: I 15 GLN cc_start: 0.8205 (mm-40) cc_final: 0.7983 (mm110) REVERT: I 16 MET cc_start: 0.8617 (mtm) cc_final: 0.8312 (mtm) REVERT: I 23 LEU cc_start: 0.8647 (tp) cc_final: 0.8370 (tp) REVERT: I 31 GLN cc_start: 0.7723 (mt0) cc_final: 0.7449 (mt0) REVERT: I 61 GLU cc_start: 0.6180 (tm-30) cc_final: 0.5936 (tm-30) REVERT: I 75 ASP cc_start: 0.6338 (t0) cc_final: 0.6096 (t0) REVERT: I 83 GLU cc_start: 0.8296 (tm-30) cc_final: 0.7994 (tm-30) REVERT: I 96 GLU cc_start: 0.7610 (tt0) cc_final: 0.7354 (tt0) REVERT: I 127 ARG cc_start: 0.7712 (tpp-160) cc_final: 0.6667 (tpt-90) REVERT: I 134 GLN cc_start: 0.8494 (tm-30) cc_final: 0.8029 (tp40) REVERT: I 158 LEU cc_start: 0.8519 (tp) cc_final: 0.7996 (tp) REVERT: I 160 MET cc_start: 0.8081 (tmm) cc_final: 0.7016 (tmm) REVERT: I 161 GLU cc_start: 0.8202 (tt0) cc_final: 0.7704 (tm-30) REVERT: I 164 SER cc_start: 0.8298 (p) cc_final: 0.8056 (p) REVERT: I 169 LYS cc_start: 0.8655 (ptpp) cc_final: 0.8352 (ptpp) REVERT: I 170 LYS cc_start: 0.8299 (mmtt) cc_final: 0.8072 (tppt) REVERT: I 178 TYR cc_start: 0.5572 (m-10) cc_final: 0.5290 (m-10) REVERT: I 196 THR cc_start: 0.8218 (t) cc_final: 0.7798 (p) REVERT: I 205 ASP cc_start: 0.7937 (m-30) cc_final: 0.7439 (m-30) REVERT: I 212 ASN cc_start: 0.8268 (m-40) cc_final: 0.7107 (m-40) REVERT: I 216 TYR cc_start: 0.7357 (m-80) cc_final: 0.6727 (m-80) REVERT: I 217 ASP cc_start: 0.7367 (t0) cc_final: 0.6765 (t0) REVERT: I 221 ARG cc_start: 0.6720 (ttm110) cc_final: 0.6503 (ttm110) REVERT: I 235 ARG cc_start: 0.7753 (mtt-85) cc_final: 0.7385 (mtt-85) REVERT: I 248 LEU cc_start: 0.8739 (mt) cc_final: 0.8510 (mt) REVERT: I 255 ASN cc_start: 0.7418 (m110) cc_final: 0.7046 (m110) REVERT: I 257 ASP cc_start: 0.7279 (p0) cc_final: 0.6233 (p0) REVERT: I 258 LEU cc_start: 0.8231 (mt) cc_final: 0.7734 (mm) REVERT: I 262 GLN cc_start: 0.7885 (mp-120) cc_final: 0.7105 (mp-120) REVERT: I 265 LEU cc_start: 0.8300 (mm) cc_final: 0.8081 (mm) REVERT: I 291 GLN cc_start: 0.7637 (tm-30) cc_final: 0.7242 (tm-30) REVERT: I 312 ASP cc_start: 0.7593 (t0) cc_final: 0.6461 (t0) REVERT: I 315 HIS cc_start: 0.7327 (m90) cc_final: 0.7083 (m170) REVERT: I 342 LYS cc_start: 0.8887 (tptt) cc_final: 0.8372 (mmmt) REVERT: I 344 LYS cc_start: 0.8042 (ttmm) cc_final: 0.7812 (ttmm) REVERT: I 345 ARG cc_start: 0.7587 (mmm160) cc_final: 0.7257 (tpp-160) REVERT: I 358 LYS cc_start: 0.6970 (tptt) cc_final: 0.6181 (tppp) REVERT: I 378 GLN cc_start: 0.7521 (mm110) cc_final: 0.7275 (mm-40) REVERT: I 379 ARG cc_start: 0.8404 (ptp90) cc_final: 0.7691 (mtm110) REVERT: I 397 LEU cc_start: 0.8765 (mt) cc_final: 0.8483 (mt) REVERT: I 400 LYS cc_start: 0.8419 (ptpt) cc_final: 0.8057 (ptpp) REVERT: I 408 ARG cc_start: 0.8022 (mmp80) cc_final: 0.7430 (mmp-170) REVERT: I 441 VAL cc_start: 0.8806 (p) cc_final: 0.8421 (p) REVERT: Q 11 GLN cc_start: 0.7811 (tt0) cc_final: 0.6499 (tm-30) REVERT: Q 21 TRP cc_start: 0.8659 (m100) cc_final: 0.8064 (m100) REVERT: Q 31 ASP cc_start: 0.7663 (t0) cc_final: 0.7432 (t70) REVERT: Q 57 ASN cc_start: 0.7780 (m-40) cc_final: 0.7348 (m110) REVERT: Q 58 LYS cc_start: 0.7788 (ttmt) cc_final: 0.7309 (ttmt) REVERT: Q 62 ARG cc_start: 0.7891 (ttm110) cc_final: 0.7457 (ttm110) REVERT: Q 73 MET cc_start: 0.8670 (mmt) cc_final: 0.7668 (mmt) REVERT: Q 99 ASN cc_start: 0.7135 (m-40) cc_final: 0.6752 (m-40) REVERT: Q 108 GLU cc_start: 0.7722 (mp0) cc_final: 0.6998 (mp0) REVERT: Q 117 LEU cc_start: 0.8291 (mp) cc_final: 0.6265 (mp) REVERT: Q 120 VAL cc_start: 0.8946 (m) cc_final: 0.8570 (t) REVERT: Q 121 ARG cc_start: 0.8067 (mtt180) cc_final: 0.7680 (mtt90) REVERT: Q 147 MET cc_start: 0.7367 (tmm) cc_final: 0.6947 (tmm) REVERT: Q 151 LEU cc_start: 0.8466 (pp) cc_final: 0.8211 (pp) REVERT: Q 164 MET cc_start: 0.7113 (mtp) cc_final: 0.6154 (mtp) REVERT: Q 165 ASN cc_start: 0.7562 (t0) cc_final: 0.7013 (t0) REVERT: Q 178 THR cc_start: 0.7154 (m) cc_final: 0.6434 (m) REVERT: Q 180 VAL cc_start: 0.7713 (t) cc_final: 0.7359 (t) REVERT: Q 181 GLU cc_start: 0.7637 (mt-10) cc_final: 0.6966 (mt-10) REVERT: Q 196 THR cc_start: 0.7804 (t) cc_final: 0.7293 (t) REVERT: Q 198 GLU cc_start: 0.6285 (pt0) cc_final: 0.6026 (pt0) REVERT: Q 204 ASN cc_start: 0.8211 (t0) cc_final: 0.8002 (t0) REVERT: Q 209 ASP cc_start: 0.7429 (t70) cc_final: 0.6828 (t70) REVERT: Q 216 LYS cc_start: 0.8490 (ptpt) cc_final: 0.8210 (ptpt) REVERT: Q 257 MET cc_start: 0.7402 (mmm) cc_final: 0.6886 (mmm) REVERT: Q 264 HIS cc_start: 0.8076 (p-80) cc_final: 0.7241 (p-80) REVERT: Q 273 LEU cc_start: 0.8345 (mp) cc_final: 0.7906 (mp) REVERT: Q 288 GLU cc_start: 0.7202 (tt0) cc_final: 0.6566 (tt0) REVERT: Q 297 LYS cc_start: 0.8069 (mmmt) cc_final: 0.7453 (mmmt) REVERT: Q 299 MET cc_start: 0.7139 (mtp) cc_final: 0.6634 (mtp) REVERT: Q 300 MET cc_start: 0.7282 (mtm) cc_final: 0.6890 (mtm) REVERT: Q 309 ARG cc_start: 0.7161 (mtt-85) cc_final: 0.6241 (mtp180) REVERT: Q 317 PHE cc_start: 0.8362 (m-10) cc_final: 0.8037 (m-10) REVERT: Q 321 MET cc_start: 0.8458 (ptp) cc_final: 0.7365 (ptp) REVERT: Q 323 MET cc_start: 0.8277 (mmp) cc_final: 0.7723 (mmp) REVERT: Q 327 ASP cc_start: 0.8457 (m-30) cc_final: 0.8249 (m-30) REVERT: Q 330 MET cc_start: 0.8232 (mmp) cc_final: 0.7623 (mmp) REVERT: Q 331 LEU cc_start: 0.8745 (tp) cc_final: 0.8442 (tp) REVERT: Q 336 LYS cc_start: 0.8219 (mtmt) cc_final: 0.7942 (mtpt) REVERT: Q 337 ASN cc_start: 0.7482 (m-40) cc_final: 0.6587 (p0) REVERT: Q 350 LYS cc_start: 0.7643 (tptp) cc_final: 0.6727 (tptp) REVERT: Q 353 VAL cc_start: 0.8144 (p) cc_final: 0.7923 (m) REVERT: Q 354 CYS cc_start: 0.8271 (t) cc_final: 0.7830 (p) REVERT: Q 362 LYS cc_start: 0.7749 (mmmt) cc_final: 0.6972 (mmmt) REVERT: Q 363 MET cc_start: 0.7859 (mmm) cc_final: 0.7102 (mmm) REVERT: Q 367 PHE cc_start: 0.8272 (t80) cc_final: 0.7608 (t80) REVERT: Q 404 ASP cc_start: 0.8254 (t0) cc_final: 0.7914 (t0) REVERT: Q 406 MET cc_start: 0.8108 (tpp) cc_final: 0.7523 (tpp) REVERT: Q 407 GLU cc_start: 0.8066 (mt-10) cc_final: 0.7449 (mt-10) REVERT: Q 409 THR cc_start: 0.8580 (m) cc_final: 0.8081 (p) REVERT: Q 414 ASN cc_start: 0.8509 (m-40) cc_final: 0.8293 (m-40) REVERT: Q 415 MET cc_start: 0.7819 (tpt) cc_final: 0.7490 (tpt) REVERT: Q 421 GLU cc_start: 0.7811 (tt0) cc_final: 0.7474 (tt0) REVERT: Q 426 GLN cc_start: 0.7478 (tp40) cc_final: 0.7186 (tp40) REVERT: Y 12 MET cc_start: 0.6915 (mpp) cc_final: 0.6276 (mpp) REVERT: Y 32 LYS cc_start: 0.7759 (tppt) cc_final: 0.7039 (mmtp) REVERT: Y 58 GLN cc_start: 0.7113 (mm110) cc_final: 0.6586 (mm110) REVERT: Y 93 HIS cc_start: 0.7826 (t-90) cc_final: 0.7063 (t-90) REVERT: Y 101 ASP cc_start: 0.5590 (t70) cc_final: 0.4950 (t70) REVERT: Y 103 GLU cc_start: 0.7989 (tp30) cc_final: 0.7699 (tp30) REVERT: Y 147 ASP cc_start: 0.6942 (m-30) cc_final: 0.6572 (m-30) REVERT: Y 178 GLU cc_start: 0.7830 (mt-10) cc_final: 0.7251 (mt-10) REVERT: Y 220 GLU cc_start: 0.6003 (mm-30) cc_final: 0.5542 (mm-30) REVERT: Y 227 LEU cc_start: 0.7389 (tp) cc_final: 0.7128 (tp) REVERT: Y 274 TYR cc_start: 0.6428 (t80) cc_final: 0.6120 (t80) REVERT: Y 282 MET cc_start: 0.7901 (tpt) cc_final: 0.7444 (tpt) REVERT: A 11 GLN cc_start: 0.6920 (tt0) cc_final: 0.5321 (tm-30) REVERT: A 15 GLN cc_start: 0.7820 (mm-40) cc_final: 0.7378 (mt0) REVERT: A 16 MET cc_start: 0.8388 (mtm) cc_final: 0.7478 (mtm) REVERT: A 23 LEU cc_start: 0.8377 (tp) cc_final: 0.7166 (tp) REVERT: A 24 TYR cc_start: 0.7961 (m-80) cc_final: 0.7186 (m-80) REVERT: A 27 GLU cc_start: 0.7894 (mt-10) cc_final: 0.7531 (mt-10) REVERT: A 31 GLN cc_start: 0.8139 (mt0) cc_final: 0.7651 (mt0) REVERT: A 36 MET cc_start: 0.6482 (tmm) cc_final: 0.5702 (tmm) REVERT: A 79 THR cc_start: 0.7519 (p) cc_final: 0.6875 (p) REVERT: A 93 PHE cc_start: 0.6887 (m-80) cc_final: 0.6194 (m-80) REVERT: A 96 GLU cc_start: 0.7708 (tt0) cc_final: 0.6936 (tt0) REVERT: A 121 ILE cc_start: 0.8739 (pt) cc_final: 0.8504 (pt) REVERT: A 125 LEU cc_start: 0.7965 (mm) cc_final: 0.7704 (mm) REVERT: A 129 ARG cc_start: 0.8079 (mmm160) cc_final: 0.7623 (mmm160) REVERT: A 160 MET cc_start: 0.8098 (tmm) cc_final: 0.7505 (tmm) REVERT: A 161 GLU cc_start: 0.8075 (tt0) cc_final: 0.7596 (tt0) REVERT: A 172 LYS cc_start: 0.7505 (mtmm) cc_final: 0.7286 (mtpt) REVERT: A 174 GLU cc_start: 0.7345 (mp0) cc_final: 0.6892 (mp0) REVERT: A 175 PHE cc_start: 0.7106 (m-80) cc_final: 0.6837 (m-80) REVERT: A 198 HIS cc_start: 0.7547 (t-170) cc_final: 0.7205 (t-170) REVERT: A 203 HIS cc_start: 0.8180 (m170) cc_final: 0.7259 (m170) REVERT: A 206 CYS cc_start: 0.7358 (p) cc_final: 0.6372 (p) REVERT: A 218 ILE cc_start: 0.8610 (mm) cc_final: 0.8331 (mm) REVERT: A 232 ASN cc_start: 0.8384 (m110) cc_final: 0.8166 (m110) REVERT: A 235 ARG cc_start: 0.8749 (mtt-85) cc_final: 0.8149 (mtt-85) REVERT: A 309 VAL cc_start: 0.8322 (p) cc_final: 0.8095 (m) REVERT: A 317 LYS cc_start: 0.7555 (mttm) cc_final: 0.7133 (mmtp) REVERT: A 329 VAL cc_start: 0.8371 (t) cc_final: 0.7883 (p) REVERT: A 345 ARG cc_start: 0.7672 (mmm160) cc_final: 0.7396 (mmp80) REVERT: A 347 ILE cc_start: 0.6877 (pt) cc_final: 0.6409 (pt) REVERT: A 363 TYR cc_start: 0.7730 (m-80) cc_final: 0.7184 (m-10) REVERT: A 400 LYS cc_start: 0.8369 (ptpt) cc_final: 0.7733 (ptpt) REVERT: A 401 PHE cc_start: 0.8470 (t80) cc_final: 0.7767 (t80) REVERT: A 404 MET cc_start: 0.8066 (mtm) cc_final: 0.7577 (mtm) REVERT: A 405 TYR cc_start: 0.7906 (t80) cc_final: 0.7388 (t80) REVERT: A 408 ARG cc_start: 0.7644 (mmt180) cc_final: 0.7077 (mmt180) REVERT: A 419 MET cc_start: 0.4379 (mmm) cc_final: 0.3844 (mmm) REVERT: A 424 PHE cc_start: 0.8133 (m-10) cc_final: 0.7897 (m-10) REVERT: A 426 GLU cc_start: 0.7977 (mm-30) cc_final: 0.7595 (mm-30) REVERT: A 430 ASP cc_start: 0.8585 (t0) cc_final: 0.8202 (t0) REVERT: A 437 ASP cc_start: 0.6038 (m-30) cc_final: 0.5370 (m-30) REVERT: A 439 GLU cc_start: 0.7322 (pp20) cc_final: 0.7007 (pp20) REVERT: A 440 GLU cc_start: 0.7263 (mt-10) cc_final: 0.6596 (mt-10) REVERT: J 20 PHE cc_start: 0.8725 (t80) cc_final: 0.8325 (t80) REVERT: J 57 ASN cc_start: 0.7827 (m110) cc_final: 0.7510 (m110) REVERT: J 62 ARG cc_start: 0.7143 (ptp-110) cc_final: 0.6571 (ptp-110) REVERT: J 67 ASP cc_start: 0.6824 (t70) cc_final: 0.5977 (t70) REVERT: J 68 LEU cc_start: 0.6841 (mt) cc_final: 0.6530 (mt) REVERT: J 73 MET cc_start: 0.8486 (mmt) cc_final: 0.7747 (mmt) REVERT: J 74 ASP cc_start: 0.7923 (m-30) cc_final: 0.7495 (m-30) REVERT: J 90 PHE cc_start: 0.7884 (m-80) cc_final: 0.7456 (m-80) REVERT: J 100 ASN cc_start: 0.8722 (t0) cc_final: 0.8359 (t0) REVERT: J 106 TYR cc_start: 0.8657 (m-80) cc_final: 0.7655 (m-80) REVERT: J 121 ARG cc_start: 0.8488 (mtt180) cc_final: 0.7913 (ptp-110) REVERT: J 122 LYS cc_start: 0.8137 (ttpp) cc_final: 0.7682 (ttpp) REVERT: J 136 THR cc_start: 0.6600 (p) cc_final: 0.6269 (p) REVERT: J 143 THR cc_start: 0.7687 (t) cc_final: 0.6927 (t) REVERT: J 158 GLU cc_start: 0.7871 (tt0) cc_final: 0.7571 (tt0) REVERT: J 159 TYR cc_start: 0.8387 (m-10) cc_final: 0.7343 (m-10) REVERT: J 160 PRO cc_start: 0.8666 (Cg_endo) cc_final: 0.8272 (Cg_exo) REVERT: J 161 ASP cc_start: 0.7945 (p0) cc_final: 0.7668 (p0) REVERT: J 179 VAL cc_start: 0.8446 (m) cc_final: 0.8150 (p) REVERT: J 181 GLU cc_start: 0.7254 (mt-10) cc_final: 0.6713 (mt-10) REVERT: J 192 LEU cc_start: 0.8067 (mm) cc_final: 0.7783 (mm) REVERT: J 195 ASN cc_start: 0.7208 (m-40) cc_final: 0.6542 (m-40) REVERT: J 215 LEU cc_start: 0.7955 (tp) cc_final: 0.7607 (tp) REVERT: J 226 ASN cc_start: 0.8097 (m-40) cc_final: 0.7791 (m-40) REVERT: J 233 MET cc_start: 0.8630 (mmm) cc_final: 0.8175 (mmm) REVERT: J 242 PHE cc_start: 0.8047 (m-10) cc_final: 0.7763 (m-10) REVERT: J 247 ASN cc_start: 0.7072 (m110) cc_final: 0.6700 (m110) REVERT: J 251 ARG cc_start: 0.7840 (tpt-90) cc_final: 0.7229 (tpt-90) REVERT: J 257 MET cc_start: 0.7260 (mmm) cc_final: 0.6759 (mmm) REVERT: J 276 ARG cc_start: 0.7232 (tpm170) cc_final: 0.6913 (tpm170) REVERT: J 297 LYS cc_start: 0.7975 (mmmt) cc_final: 0.7315 (mmmt) REVERT: J 299 MET cc_start: 0.6049 (mtm) cc_final: 0.5843 (mtm) REVERT: J 300 MET cc_start: 0.6181 (mpp) cc_final: 0.5865 (mpp) REVERT: J 321 MET cc_start: 0.8229 (ptp) cc_final: 0.7874 (ptp) REVERT: J 323 MET cc_start: 0.7792 (mmp) cc_final: 0.6979 (mmp) REVERT: J 324 LYS cc_start: 0.8242 (ttpt) cc_final: 0.7500 (ttpt) REVERT: J 325 GLU cc_start: 0.7631 (pt0) cc_final: 0.7251 (pt0) REVERT: J 327 ASP cc_start: 0.8441 (m-30) cc_final: 0.8039 (m-30) REVERT: J 330 MET cc_start: 0.8255 (mmp) cc_final: 0.7939 (mmt) REVERT: J 347 ASN cc_start: 0.7598 (t0) cc_final: 0.7097 (t0) REVERT: J 367 PHE cc_start: 0.7982 (t80) cc_final: 0.7222 (t80) REVERT: J 389 PHE cc_start: 0.7889 (t80) cc_final: 0.7595 (t80) REVERT: J 390 ARG cc_start: 0.7847 (ptt90) cc_final: 0.7374 (ptt90) REVERT: J 391 ARG cc_start: 0.7138 (ttt180) cc_final: 0.6574 (ttt180) REVERT: J 392 LYS cc_start: 0.7641 (mtmm) cc_final: 0.7046 (mmtm) REVERT: J 398 TYR cc_start: 0.7744 (m-80) cc_final: 0.7472 (m-80) REVERT: J 404 ASP cc_start: 0.8276 (t0) cc_final: 0.7711 (t0) REVERT: J 406 MET cc_start: 0.8263 (mmp) cc_final: 0.7441 (mmp) REVERT: J 407 GLU cc_start: 0.8276 (mt-10) cc_final: 0.7752 (mt-10) REVERT: J 410 GLU cc_start: 0.7981 (mt-10) cc_final: 0.7345 (mt-10) REVERT: J 413 SER cc_start: 0.7591 (t) cc_final: 0.7355 (m) REVERT: J 414 ASN cc_start: 0.8752 (m-40) cc_final: 0.8334 (m-40) REVERT: J 415 MET cc_start: 0.8372 (tpt) cc_final: 0.7562 (mmm) REVERT: J 421 GLU cc_start: 0.7829 (tt0) cc_final: 0.7374 (tt0) REVERT: S 18 LEU cc_start: 0.7519 (mt) cc_final: 0.7209 (mt) REVERT: S 32 LYS cc_start: 0.8135 (mmpt) cc_final: 0.7320 (tptm) REVERT: S 36 GLU cc_start: 0.7475 (mt-10) cc_final: 0.6823 (mt-10) REVERT: S 103 GLU cc_start: 0.8175 (tp30) cc_final: 0.7632 (tp30) REVERT: S 171 ARG cc_start: 0.7515 (ttt180) cc_final: 0.7251 (ttt180) REVERT: S 178 GLU cc_start: 0.8315 (mt-10) cc_final: 0.7507 (mt-10) REVERT: S 210 ILE cc_start: 0.7235 (mp) cc_final: 0.6674 (mp) REVERT: S 221 GLN cc_start: 0.5575 (pp30) cc_final: 0.5338 (pp30) REVERT: S 229 LEU cc_start: 0.7547 (mp) cc_final: 0.7211 (mp) REVERT: S 282 MET cc_start: 0.8531 (tpt) cc_final: 0.8233 (tpt) REVERT: S 307 TYR cc_start: 0.6586 (t80) cc_final: 0.5930 (t80) REVERT: S 310 SER cc_start: 0.8785 (t) cc_final: 0.8240 (m) REVERT: S 311 GLU cc_start: 0.8759 (pm20) cc_final: 0.8407 (pm20) REVERT: B 11 GLN cc_start: 0.7429 (tp-100) cc_final: 0.5921 (tm-30) REVERT: B 15 GLN cc_start: 0.8722 (mm-40) cc_final: 0.7933 (mm110) REVERT: B 24 TYR cc_start: 0.8225 (m-80) cc_final: 0.7381 (m-80) REVERT: B 31 GLN cc_start: 0.8242 (mt0) cc_final: 0.7822 (mp10) REVERT: B 61 GLU cc_start: 0.7486 (tp30) cc_final: 0.7270 (tp30) REVERT: B 75 ASP cc_start: 0.6761 (t0) cc_final: 0.6230 (t0) REVERT: B 84 ILE cc_start: 0.8667 (mm) cc_final: 0.8376 (mt) REVERT: B 96 GLU cc_start: 0.7187 (tt0) cc_final: 0.6631 (tt0) REVERT: B 107 ASN cc_start: 0.7971 (m110) cc_final: 0.7699 (m-40) REVERT: B 108 ASN cc_start: 0.7214 (t0) cc_final: 0.6568 (t0) REVERT: B 120 ILE cc_start: 0.8521 (tp) cc_final: 0.8180 (mm) REVERT: B 134 GLN cc_start: 0.7006 (pp30) cc_final: 0.6586 (tm-30) REVERT: B 160 MET cc_start: 0.8042 (tmm) cc_final: 0.7510 (tmm) REVERT: B 170 LYS cc_start: 0.8201 (mmtp) cc_final: 0.7848 (mmtp) REVERT: B 189 GLU cc_start: 0.7613 (pm20) cc_final: 0.7076 (pm20) REVERT: B 218 ILE cc_start: 0.8550 (OUTLIER) cc_final: 0.8305 (mp) REVERT: B 223 LEU cc_start: 0.7625 (tp) cc_final: 0.7076 (tp) REVERT: B 232 ASN cc_start: 0.8418 (m-40) cc_final: 0.8084 (m-40) REVERT: B 265 LEU cc_start: 0.8238 (mm) cc_final: 0.7929 (mm) REVERT: B 268 TYR cc_start: 0.8666 (m-80) cc_final: 0.8429 (m-80) REVERT: B 277 THR cc_start: 0.6985 (t) cc_final: 0.6274 (p) REVERT: B 282 ILE cc_start: 0.7629 (tp) cc_final: 0.7391 (tp) REVERT: B 286 LYS cc_start: 0.7858 (ttmt) cc_final: 0.7625 (ttmt) REVERT: B 299 ASN cc_start: 0.7976 (m110) cc_final: 0.7751 (m110) REVERT: B 308 MET cc_start: 0.8018 (mmt) cc_final: 0.7369 (mmp) REVERT: B 318 TYR cc_start: 0.8071 (m-10) cc_final: 0.7685 (m-10) REVERT: B 319 MET cc_start: 0.7529 (mmm) cc_final: 0.6296 (mmm) REVERT: B 322 CYS cc_start: 0.7499 (t) cc_final: 0.6689 (t) REVERT: B 323 LEU cc_start: 0.8163 (mm) cc_final: 0.7963 (mm) REVERT: B 338 ILE cc_start: 0.8378 (pt) cc_final: 0.8174 (pt) REVERT: B 344 LYS cc_start: 0.6832 (ttmm) cc_final: 0.6452 (ttmm) REVERT: B 355 THR cc_start: 0.7486 (t) cc_final: 0.7000 (t) REVERT: B 358 LYS cc_start: 0.7449 (tmtt) cc_final: 0.7065 (tmtt) REVERT: B 378 GLN cc_start: 0.7763 (mm110) cc_final: 0.7475 (mm-40) REVERT: B 379 ARG cc_start: 0.8284 (ptp90) cc_final: 0.7885 (mtm180) REVERT: B 386 ASN cc_start: 0.7238 (t0) cc_final: 0.6665 (t0) REVERT: B 404 MET cc_start: 0.8255 (mtm) cc_final: 0.7367 (mmm) REVERT: B 408 ARG cc_start: 0.6448 (mmt-90) cc_final: 0.6211 (mmt90) REVERT: B 410 PHE cc_start: 0.8318 (m-80) cc_final: 0.7747 (m-80) REVERT: B 412 HIS cc_start: 0.7890 (p90) cc_final: 0.6927 (p-80) REVERT: B 413 TRP cc_start: 0.8100 (m100) cc_final: 0.7392 (m100) REVERT: B 426 GLU cc_start: 0.8285 (mm-30) cc_final: 0.8014 (mm-30) REVERT: B 440 GLU cc_start: 0.7568 (mt-10) cc_final: 0.7013 (mt-10) REVERT: K 11 GLN cc_start: 0.7629 (mt0) cc_final: 0.7417 (mt0) REVERT: K 21 TRP cc_start: 0.8451 (m100) cc_final: 0.7703 (m100) REVERT: K 22 GLU cc_start: 0.8395 (mt-10) cc_final: 0.8180 (mt-10) REVERT: K 27 GLU cc_start: 0.8227 (mt-10) cc_final: 0.7762 (mt-10) REVERT: K 45 GLU cc_start: 0.8131 (tt0) cc_final: 0.6946 (tt0) REVERT: K 46 ARG cc_start: 0.8347 (mmp80) cc_final: 0.7954 (mmp80) REVERT: K 67 ASP cc_start: 0.6891 (t70) cc_final: 0.6108 (t70) REVERT: K 73 MET cc_start: 0.8089 (mmt) cc_final: 0.7585 (mmt) REVERT: K 108 GLU cc_start: 0.7902 (mm-30) cc_final: 0.7546 (mm-30) REVERT: K 123 GLU cc_start: 0.9061 (mm-30) cc_final: 0.8512 (mm-30) REVERT: K 133 PHE cc_start: 0.7242 (m-80) cc_final: 0.6875 (m-80) REVERT: K 147 MET cc_start: 0.7204 (tmm) cc_final: 0.6400 (tmm) REVERT: K 150 LEU cc_start: 0.8118 (tp) cc_final: 0.7609 (tp) REVERT: K 154 LYS cc_start: 0.8024 (mmmt) cc_final: 0.7252 (mmmt) REVERT: K 155 ILE cc_start: 0.8787 (pt) cc_final: 0.8540 (mt) REVERT: K 164 MET cc_start: 0.6522 (mtp) cc_final: 0.5407 (mtp) REVERT: K 165 ASN cc_start: 0.7207 (t0) cc_final: 0.6361 (t0) REVERT: K 183 TYR cc_start: 0.7847 (m-10) cc_final: 0.7330 (m-10) REVERT: K 187 LEU cc_start: 0.8357 (mt) cc_final: 0.8037 (mt) REVERT: K 194 GLU cc_start: 0.8259 (mm-30) cc_final: 0.7817 (mm-30) REVERT: K 195 ASN cc_start: 0.7816 (m-40) cc_final: 0.6831 (m-40) REVERT: K 198 GLU cc_start: 0.7193 (pt0) cc_final: 0.6806 (pt0) REVERT: K 207 LEU cc_start: 0.8490 (mt) cc_final: 0.8237 (mt) REVERT: K 216 LYS cc_start: 0.8447 (pttp) cc_final: 0.8192 (pttp) REVERT: K 233 MET cc_start: 0.8681 (mtp) cc_final: 0.8421 (mtp) REVERT: K 242 PHE cc_start: 0.8384 (m-80) cc_final: 0.8146 (m-80) REVERT: K 247 ASN cc_start: 0.7490 (m110) cc_final: 0.7068 (m110) REVERT: K 251 ARG cc_start: 0.7652 (mtp85) cc_final: 0.7105 (mtp85) REVERT: K 260 PHE cc_start: 0.7946 (m-80) cc_final: 0.7654 (m-80) REVERT: K 262 ARG cc_start: 0.7412 (mtp85) cc_final: 0.6944 (mtp85) REVERT: K 266 PHE cc_start: 0.6786 (m-10) cc_final: 0.6414 (m-10) REVERT: K 270 PHE cc_start: 0.7531 (t80) cc_final: 0.7330 (t80) REVERT: K 274 THR cc_start: 0.8191 (p) cc_final: 0.7650 (t) REVERT: K 290 THR cc_start: 0.8296 (m) cc_final: 0.7933 (t) REVERT: K 317 PHE cc_start: 0.8086 (m-80) cc_final: 0.7769 (m-10) REVERT: K 320 ARG cc_start: 0.7042 (mmm160) cc_final: 0.6498 (mmm160) REVERT: K 326 VAL cc_start: 0.8563 (t) cc_final: 0.7670 (t) REVERT: K 327 ASP cc_start: 0.8395 (m-30) cc_final: 0.7902 (m-30) REVERT: K 329 GLN cc_start: 0.8375 (mm-40) cc_final: 0.8030 (mm-40) REVERT: K 330 MET cc_start: 0.8296 (mmp) cc_final: 0.7911 (mmp) REVERT: K 331 LEU cc_start: 0.8380 (tp) cc_final: 0.8066 (tp) REVERT: K 344 TRP cc_start: 0.7703 (p-90) cc_final: 0.7239 (p-90) REVERT: K 362 LYS cc_start: 0.7374 (mmmt) cc_final: 0.6830 (mmmt) REVERT: K 363 MET cc_start: 0.7756 (mmm) cc_final: 0.7126 (mmm) REVERT: K 368 ILE cc_start: 0.7618 (mp) cc_final: 0.7243 (mp) REVERT: K 383 GLU cc_start: 0.8227 (mm-30) cc_final: 0.7599 (mm-30) REVERT: K 385 PHE cc_start: 0.8023 (t80) cc_final: 0.7632 (t80) REVERT: K 389 PHE cc_start: 0.8296 (t80) cc_final: 0.7871 (t80) REVERT: K 404 ASP cc_start: 0.7458 (t0) cc_final: 0.6782 (p0) REVERT: K 408 PHE cc_start: 0.8434 (m-80) cc_final: 0.7519 (m-80) REVERT: K 414 ASN cc_start: 0.8412 (m-40) cc_final: 0.8191 (m110) REVERT: K 415 MET cc_start: 0.8000 (tpt) cc_final: 0.7768 (tpt) REVERT: K 421 GLU cc_start: 0.7790 (tt0) cc_final: 0.7071 (tt0) REVERT: K 422 TYR cc_start: 0.7578 (m-80) cc_final: 0.7175 (m-80) REVERT: T 41 ILE cc_start: 0.6377 (mm) cc_final: 0.5965 (mm) REVERT: T 46 TYR cc_start: 0.5619 (m-80) cc_final: 0.4557 (m-80) REVERT: T 93 HIS cc_start: 0.5713 (m-70) cc_final: 0.5391 (m-70) REVERT: T 95 MET cc_start: 0.7060 (mtt) cc_final: 0.6792 (mtt) REVERT: T 228 TYR cc_start: 0.5971 (m-80) cc_final: 0.5125 (m-80) REVERT: T 256 LYS cc_start: 0.7769 (mmmt) cc_final: 0.7255 (mmmt) REVERT: T 313 LYS cc_start: 0.7696 (mtmt) cc_final: 0.7482 (tppt) REVERT: T 318 PHE cc_start: 0.8223 (t80) cc_final: 0.7800 (t80) REVERT: T 321 ARG cc_start: 0.7707 (mtm180) cc_final: 0.7197 (mtm180) REVERT: C 11 GLN cc_start: 0.7454 (tp-100) cc_final: 0.6954 (tp-100) REVERT: C 15 GLN cc_start: 0.8378 (mm-40) cc_final: 0.8111 (mm-40) REVERT: C 18 ASN cc_start: 0.8516 (t0) cc_final: 0.8307 (t0) REVERT: C 21 TRP cc_start: 0.8384 (m100) cc_final: 0.7345 (m100) REVERT: C 23 LEU cc_start: 0.8506 (tp) cc_final: 0.8192 (tp) REVERT: C 77 GLU cc_start: 0.6611 (pp20) cc_final: 0.6346 (pp20) REVERT: C 96 GLU cc_start: 0.7625 (tt0) cc_final: 0.7079 (tt0) REVERT: C 108 ASN cc_start: 0.7091 (t0) cc_final: 0.6507 (t0) REVERT: C 114 TYR cc_start: 0.7831 (m-80) cc_final: 0.7565 (m-10) REVERT: C 158 LEU cc_start: 0.8365 (tp) cc_final: 0.8033 (tp) REVERT: C 160 MET cc_start: 0.7974 (tmm) cc_final: 0.7649 (tmm) REVERT: C 189 GLU cc_start: 0.8111 (pm20) cc_final: 0.7431 (pm20) REVERT: C 206 CYS cc_start: 0.7148 (p) cc_final: 0.6809 (p) REVERT: C 222 ASN cc_start: 0.8441 (m-40) cc_final: 0.7908 (m-40) REVERT: C 230 TYR cc_start: 0.7737 (m-10) cc_final: 0.7102 (m-80) REVERT: C 232 ASN cc_start: 0.8235 (m-40) cc_final: 0.7802 (m-40) REVERT: C 250 PHE cc_start: 0.7056 (m-80) cc_final: 0.6769 (m-80) REVERT: C 254 LEU cc_start: 0.8206 (tt) cc_final: 0.7926 (tt) REVERT: C 265 LEU cc_start: 0.8221 (mm) cc_final: 0.7856 (mm) REVERT: C 271 ILE cc_start: 0.8128 (tp) cc_final: 0.7875 (tp) REVERT: C 277 THR cc_start: 0.7678 (t) cc_final: 0.6630 (p) REVERT: C 290 GLU cc_start: 0.6401 (tm-30) cc_final: 0.5620 (tm-30) REVERT: C 308 MET cc_start: 0.7924 (mpp) cc_final: 0.7241 (mpp) REVERT: C 312 ASP cc_start: 0.7431 (t0) cc_final: 0.6962 (t0) REVERT: C 317 LYS cc_start: 0.7807 (mttm) cc_final: 0.7579 (mttm) REVERT: C 319 MET cc_start: 0.7796 (ttt) cc_final: 0.7105 (ttt) REVERT: C 349 PHE cc_start: 0.7906 (m-80) cc_final: 0.7631 (m-10) REVERT: C 379 ARG cc_start: 0.8003 (ptp90) cc_final: 0.7730 (mtm180) REVERT: C 400 LYS cc_start: 0.7852 (ptpt) cc_final: 0.7492 (pttm) REVERT: C 404 MET cc_start: 0.8209 (mtm) cc_final: 0.7330 (mtm) REVERT: C 410 PHE cc_start: 0.7882 (m-80) cc_final: 0.7270 (m-80) REVERT: C 414 TYR cc_start: 0.8635 (m-80) cc_final: 0.8366 (m-80) REVERT: C 437 ASP cc_start: 0.7639 (m-30) cc_final: 0.6929 (m-30) REVERT: C 440 GLU cc_start: 0.7226 (mt-10) cc_final: 0.6890 (mt-10) REVERT: L 20 PHE cc_start: 0.8622 (t80) cc_final: 0.8089 (t80) REVERT: L 21 TRP cc_start: 0.8532 (m100) cc_final: 0.8088 (m100) REVERT: L 22 GLU cc_start: 0.8367 (mt-10) cc_final: 0.8110 (tm-30) REVERT: L 27 GLU cc_start: 0.8217 (mt-10) cc_final: 0.7863 (mt-10) REVERT: L 62 ARG cc_start: 0.7307 (ttm110) cc_final: 0.6378 (ttm110) REVERT: L 73 MET cc_start: 0.8181 (mmt) cc_final: 0.7502 (mmt) REVERT: L 91 VAL cc_start: 0.7992 (p) cc_final: 0.7749 (m) REVERT: L 92 PHE cc_start: 0.8437 (p90) cc_final: 0.7945 (p90) REVERT: L 100 ASN cc_start: 0.7958 (t0) cc_final: 0.7457 (t0) REVERT: L 117 LEU cc_start: 0.8322 (mp) cc_final: 0.8108 (mp) REVERT: L 136 THR cc_start: 0.6384 (p) cc_final: 0.6131 (p) REVERT: L 147 MET cc_start: 0.7401 (tmm) cc_final: 0.6902 (tmm) REVERT: L 154 LYS cc_start: 0.8659 (mmtt) cc_final: 0.7899 (mmtt) REVERT: L 157 GLU cc_start: 0.8403 (mt-10) cc_final: 0.8024 (mt-10) REVERT: L 181 GLU cc_start: 0.7409 (mt-10) cc_final: 0.6860 (mt-10) REVERT: L 187 LEU cc_start: 0.8246 (mt) cc_final: 0.7974 (mt) REVERT: L 198 GLU cc_start: 0.7424 (pt0) cc_final: 0.6898 (pt0) REVERT: L 200 TYR cc_start: 0.7728 (m-80) cc_final: 0.7022 (m-80) REVERT: L 207 LEU cc_start: 0.8631 (mt) cc_final: 0.8408 (mt) REVERT: L 227 HIS cc_start: 0.7701 (m90) cc_final: 0.7338 (m90) REVERT: L 233 MET cc_start: 0.8777 (mtp) cc_final: 0.8320 (mtp) REVERT: L 241 ARG cc_start: 0.7415 (mtm110) cc_final: 0.6755 (ttm110) REVERT: L 242 PHE cc_start: 0.8202 (m-80) cc_final: 0.7907 (m-80) REVERT: L 253 LEU cc_start: 0.8606 (mp) cc_final: 0.8181 (mp) REVERT: L 256 ASN cc_start: 0.8345 (m-40) cc_final: 0.7610 (m-40) REVERT: L 257 MET cc_start: 0.7475 (mmm) cc_final: 0.7193 (mmm) REVERT: L 260 PHE cc_start: 0.7992 (m-80) cc_final: 0.7641 (m-80) REVERT: L 267 MET cc_start: 0.6772 (ttm) cc_final: 0.6469 (ttm) REVERT: L 270 PHE cc_start: 0.7313 (t80) cc_final: 0.7045 (t80) REVERT: L 286 VAL cc_start: 0.8640 (m) cc_final: 0.8266 (p) REVERT: L 289 LEU cc_start: 0.8968 (mt) cc_final: 0.7994 (mt) REVERT: L 292 GLN cc_start: 0.8164 (tt0) cc_final: 0.7837 (tt0) REVERT: L 293 MET cc_start: 0.7509 (mmm) cc_final: 0.6856 (mmm) REVERT: L 297 LYS cc_start: 0.8536 (mmmt) cc_final: 0.8224 (tmmt) REVERT: L 318 ARG cc_start: 0.5818 (ttp-110) cc_final: 0.4764 (mtp85) REVERT: L 323 MET cc_start: 0.7510 (mmp) cc_final: 0.6521 (mmp) REVERT: L 324 LYS cc_start: 0.7689 (ttpt) cc_final: 0.7221 (ttpt) REVERT: L 327 ASP cc_start: 0.8437 (m-30) cc_final: 0.8146 (m-30) REVERT: L 341 PHE cc_start: 0.7120 (m-80) cc_final: 0.6732 (m-80) REVERT: L 347 ASN cc_start: 0.6465 (t0) cc_final: 0.5644 (t0) REVERT: L 353 VAL cc_start: 0.8138 (m) cc_final: 0.7815 (p) REVERT: L 362 LYS cc_start: 0.7274 (mmmt) cc_final: 0.6533 (mmmt) REVERT: L 363 MET cc_start: 0.8173 (tpt) cc_final: 0.7866 (mmm) REVERT: L 367 PHE cc_start: 0.7924 (t80) cc_final: 0.7646 (t80) REVERT: L 386 THR cc_start: 0.8596 (p) cc_final: 0.8328 (p) REVERT: L 389 PHE cc_start: 0.8538 (t80) cc_final: 0.8263 (t80) REVERT: L 390 ARG cc_start: 0.7793 (ptt90) cc_final: 0.7079 (ptt90) REVERT: L 396 HIS cc_start: 0.6894 (p-80) cc_final: 0.6654 (p-80) REVERT: L 398 TYR cc_start: 0.6668 (m-80) cc_final: 0.6083 (m-80) REVERT: L 403 MET cc_start: 0.6607 (ttt) cc_final: 0.5956 (ttt) REVERT: L 408 PHE cc_start: 0.8007 (m-80) cc_final: 0.6866 (m-80) REVERT: L 415 MET cc_start: 0.8050 (tpt) cc_final: 0.7805 (tpt) REVERT: L 422 TYR cc_start: 0.7626 (m-80) cc_final: 0.6971 (m-80) REVERT: U 22 GLU cc_start: 0.6377 (mt-10) cc_final: 0.5847 (mt-10) REVERT: U 41 ILE cc_start: 0.6865 (mm) cc_final: 0.6534 (mm) REVERT: U 46 TYR cc_start: 0.5424 (m-80) cc_final: 0.4197 (m-80) REVERT: U 74 LEU cc_start: 0.7461 (mt) cc_final: 0.7234 (mt) REVERT: U 95 MET cc_start: 0.8218 (mmm) cc_final: 0.7927 (mmm) REVERT: U 103 GLU cc_start: 0.7827 (tp30) cc_final: 0.7496 (tp30) REVERT: U 228 TYR cc_start: 0.5672 (m-80) cc_final: 0.4863 (m-80) REVERT: U 256 LYS cc_start: 0.7607 (mmmt) cc_final: 0.7156 (mmmt) REVERT: U 307 TYR cc_start: 0.7962 (t80) cc_final: 0.7133 (t80) REVERT: U 313 LYS cc_start: 0.7559 (ttmt) cc_final: 0.7201 (tppt) REVERT: U 316 LEU cc_start: 0.8189 (mp) cc_final: 0.7913 (mp) REVERT: U 321 ARG cc_start: 0.7438 (mtm180) cc_final: 0.6907 (mtm180) REVERT: D 11 GLN cc_start: 0.6639 (tp-100) cc_final: 0.5082 (tm-30) REVERT: D 15 GLN cc_start: 0.8277 (mm-40) cc_final: 0.7780 (mm110) REVERT: D 16 MET cc_start: 0.8206 (mtm) cc_final: 0.7271 (mtm) REVERT: D 23 LEU cc_start: 0.8533 (tp) cc_final: 0.8314 (tp) REVERT: D 31 GLN cc_start: 0.7698 (mt0) cc_final: 0.7153 (mt0) REVERT: D 72 VAL cc_start: 0.7714 (m) cc_final: 0.7193 (p) REVERT: D 92 LEU cc_start: 0.7987 (mt) cc_final: 0.7670 (mt) REVERT: D 93 PHE cc_start: 0.7311 (m-80) cc_final: 0.6927 (m-80) REVERT: D 97 GLN cc_start: 0.8243 (mp10) cc_final: 0.7817 (mp10) REVERT: D 119 GLU cc_start: 0.8106 (pp20) cc_final: 0.7829 (pp20) REVERT: D 160 MET cc_start: 0.7928 (tmm) cc_final: 0.7421 (tmm) REVERT: D 178 TYR cc_start: 0.6166 (m-10) cc_final: 0.5756 (m-10) REVERT: D 192 ASN cc_start: 0.8472 (m110) cc_final: 0.8220 (m110) REVERT: D 201 LEU cc_start: 0.8241 (tt) cc_final: 0.8024 (tt) REVERT: D 205 ASP cc_start: 0.7090 (m-30) cc_final: 0.6770 (m-30) REVERT: D 212 ASN cc_start: 0.8401 (m-40) cc_final: 0.8090 (m-40) REVERT: D 220 ARG cc_start: 0.7366 (ttt-90) cc_final: 0.7063 (mmm-85) REVERT: D 221 ARG cc_start: 0.7687 (ttm110) cc_final: 0.7224 (ttm110) REVERT: D 222 ASN cc_start: 0.8536 (m-40) cc_final: 0.7871 (m-40) REVERT: D 223 LEU cc_start: 0.7916 (tp) cc_final: 0.7697 (tp) REVERT: D 257 ASP cc_start: 0.7258 (p0) cc_final: 0.6328 (p0) REVERT: D 277 THR cc_start: 0.8083 (t) cc_final: 0.7385 (p) REVERT: D 286 LYS cc_start: 0.8146 (ttmt) cc_final: 0.7880 (ttpp) REVERT: D 308 MET cc_start: 0.7473 (mmt) cc_final: 0.6561 (mmt) REVERT: D 310 LYS cc_start: 0.8287 (mmmt) cc_final: 0.7842 (mmmt) REVERT: D 312 ASP cc_start: 0.7570 (t0) cc_final: 0.6881 (t0) REVERT: D 315 HIS cc_start: 0.7583 (m170) cc_final: 0.7383 (m170) REVERT: D 317 LYS cc_start: 0.7790 (mttm) cc_final: 0.7553 (mttm) REVERT: D 319 MET cc_start: 0.7148 (mmm) cc_final: 0.6647 (mmm) REVERT: D 344 LYS cc_start: 0.7958 (ttmm) cc_final: 0.7537 (ttmm) REVERT: D 376 LYS cc_start: 0.8270 (tmtt) cc_final: 0.7896 (tptp) REVERT: D 378 GLN cc_start: 0.8135 (mm110) cc_final: 0.7039 (mm-40) REVERT: D 379 ARG cc_start: 0.8338 (ptp90) cc_final: 0.7822 (mtm180) REVERT: D 382 CYS cc_start: 0.7419 (p) cc_final: 0.7083 (p) REVERT: D 383 MET cc_start: 0.6858 (ttp) cc_final: 0.6418 (ttp) REVERT: D 386 ASN cc_start: 0.7431 (t0) cc_final: 0.7177 (t0) REVERT: D 392 GLU cc_start: 0.7287 (pt0) cc_final: 0.7069 (pt0) REVERT: D 394 TRP cc_start: 0.8037 (m100) cc_final: 0.7835 (m100) REVERT: D 400 LYS cc_start: 0.8596 (ptpt) cc_final: 0.7870 (ptpp) REVERT: D 401 PHE cc_start: 0.8510 (t80) cc_final: 0.7824 (t80) REVERT: D 404 MET cc_start: 0.8452 (mtm) cc_final: 0.7612 (mmm) REVERT: D 410 PHE cc_start: 0.7990 (m-80) cc_final: 0.7190 (m-80) REVERT: D 419 MET cc_start: 0.4135 (tpp) cc_final: 0.3889 (ttm) REVERT: D 421 GLU cc_start: 0.6707 (tp30) cc_final: 0.6395 (tp30) REVERT: D 437 ASP cc_start: 0.7684 (m-30) cc_final: 0.7054 (m-30) REVERT: D 440 GLU cc_start: 0.7725 (mt-10) cc_final: 0.7291 (mt-10) REVERT: M 11 GLN cc_start: 0.7356 (tt0) cc_final: 0.6273 (tp40) REVERT: M 24 ILE cc_start: 0.8426 (pt) cc_final: 0.7949 (pt) REVERT: M 27 GLU cc_start: 0.8524 (mt-10) cc_final: 0.7919 (mt-10) REVERT: M 31 ASP cc_start: 0.7903 (t0) cc_final: 0.7543 (t70) REVERT: M 47 ILE cc_start: 0.8544 (tt) cc_final: 0.8222 (tt) REVERT: M 59 TYR cc_start: 0.7321 (m-80) cc_final: 0.5733 (m-80) REVERT: M 69 GLU cc_start: 0.6035 (tm-30) cc_final: 0.5485 (tm-30) REVERT: M 73 MET cc_start: 0.8328 (mmt) cc_final: 0.7443 (mmt) REVERT: M 84 ILE cc_start: 0.7923 (tt) cc_final: 0.7722 (tt) REVERT: M 113 VAL cc_start: 0.8792 (p) cc_final: 0.8505 (m) REVERT: M 117 LEU cc_start: 0.8300 (mp) cc_final: 0.7958 (mp) REVERT: M 134 GLN cc_start: 0.6132 (mm110) cc_final: 0.5739 (mm110) REVERT: M 151 LEU cc_start: 0.8392 (pp) cc_final: 0.8155 (pp) REVERT: M 164 MET cc_start: 0.7140 (mtp) cc_final: 0.5924 (mtp) REVERT: M 178 THR cc_start: 0.7850 (t) cc_final: 0.7604 (p) REVERT: M 191 GLN cc_start: 0.8042 (mm-40) cc_final: 0.7101 (mt0) REVERT: M 195 ASN cc_start: 0.8316 (m-40) cc_final: 0.6894 (m110) REVERT: M 198 GLU cc_start: 0.6568 (pt0) cc_final: 0.5654 (pt0) REVERT: M 202 ILE cc_start: 0.6653 (mt) cc_final: 0.6128 (mt) REVERT: M 217 LEU cc_start: 0.8630 (mt) cc_final: 0.8355 (mt) REVERT: M 233 MET cc_start: 0.8182 (mtp) cc_final: 0.7931 (mtp) REVERT: M 257 MET cc_start: 0.8155 (mmm) cc_final: 0.7254 (mmm) REVERT: M 262 ARG cc_start: 0.8138 (mmm-85) cc_final: 0.7643 (mmm160) REVERT: M 264 HIS cc_start: 0.7855 (p-80) cc_final: 0.7267 (p-80) REVERT: M 267 MET cc_start: 0.7734 (mtp) cc_final: 0.7281 (mtp) REVERT: M 270 PHE cc_start: 0.7968 (t80) cc_final: 0.7649 (t80) REVERT: M 274 THR cc_start: 0.8042 (p) cc_final: 0.7750 (p) REVERT: M 276 ARG cc_start: 0.7924 (tmt170) cc_final: 0.7492 (tmt170) REVERT: M 290 THR cc_start: 0.8383 (m) cc_final: 0.7707 (p) REVERT: M 292 GLN cc_start: 0.8611 (tt0) cc_final: 0.8146 (tt0) REVERT: M 297 LYS cc_start: 0.8329 (mmmt) cc_final: 0.7617 (mmmt) REVERT: M 298 ASN cc_start: 0.8511 (t0) cc_final: 0.8064 (t0) REVERT: M 300 MET cc_start: 0.6365 (mpp) cc_final: 0.5912 (mpp) REVERT: M 323 MET cc_start: 0.7710 (mmp) cc_final: 0.7164 (mmp) REVERT: M 324 LYS cc_start: 0.7975 (ttpt) cc_final: 0.7579 (ttpt) REVERT: M 327 ASP cc_start: 0.8411 (m-30) cc_final: 0.7965 (m-30) REVERT: M 330 MET cc_start: 0.8380 (mmp) cc_final: 0.8041 (mmp) REVERT: M 345 ILE cc_start: 0.8732 (tp) cc_final: 0.8062 (tp) REVERT: M 348 ASN cc_start: 0.8305 (m-40) cc_final: 0.8025 (m-40) REVERT: M 359 ARG cc_start: 0.6896 (ttm-80) cc_final: 0.6441 (ttm-80) REVERT: M 362 LYS cc_start: 0.7814 (mmmt) cc_final: 0.7279 (mmmt) REVERT: M 375 GLN cc_start: 0.7587 (pt0) cc_final: 0.7382 (pt0) REVERT: M 379 LYS cc_start: 0.8224 (mmtm) cc_final: 0.7443 (mmtm) REVERT: M 392 LYS cc_start: 0.8108 (mtmm) cc_final: 0.7727 (mtmm) REVERT: M 395 LEU cc_start: 0.8592 (mt) cc_final: 0.8277 (mt) REVERT: M 397 TRP cc_start: 0.7096 (m100) cc_final: 0.6857 (m100) REVERT: M 410 GLU cc_start: 0.7727 (mt-10) cc_final: 0.7315 (mt-10) REVERT: M 415 MET cc_start: 0.7934 (tpt) cc_final: 0.7441 (tpt) REVERT: M 421 GLU cc_start: 0.7952 (tt0) cc_final: 0.7607 (tt0) REVERT: M 426 GLN cc_start: 0.7709 (tp40) cc_final: 0.7405 (tp40) REVERT: V 10 LYS cc_start: 0.7215 (mmmt) cc_final: 0.6988 (mmmt) REVERT: V 22 GLU cc_start: 0.7699 (mt-10) cc_final: 0.7418 (mt-10) REVERT: V 37 ASP cc_start: 0.6425 (p0) cc_final: 0.6054 (p0) REVERT: V 59 GLU cc_start: 0.7082 (mp0) cc_final: 0.6843 (mp0) REVERT: V 95 MET cc_start: 0.7216 (mtt) cc_final: 0.6992 (mtt) REVERT: V 103 GLU cc_start: 0.7461 (tp30) cc_final: 0.6836 (tp30) REVERT: V 110 ARG cc_start: 0.6471 (mpt-90) cc_final: 0.6159 (mtt90) REVERT: V 129 HIS cc_start: 0.5326 (m-70) cc_final: 0.5071 (m-70) REVERT: V 169 THR cc_start: 0.6640 (m) cc_final: 0.5431 (m) REVERT: V 180 MET cc_start: 0.7632 (mpp) cc_final: 0.7313 (mpp) REVERT: V 220 GLU cc_start: 0.6042 (mm-30) cc_final: 0.5665 (mm-30) REVERT: V 256 LYS cc_start: 0.7521 (mmmt) cc_final: 0.7232 (mmmt) REVERT: V 278 ARG cc_start: 0.6630 (mtt180) cc_final: 0.6116 (mtt180) REVERT: V 284 ARG cc_start: 0.8183 (mtp85) cc_final: 0.7583 (mtp85) REVERT: V 311 GLU cc_start: 0.8007 (pm20) cc_final: 0.7734 (pm20) REVERT: E 6 SER cc_start: 0.8219 (p) cc_final: 0.8008 (t) REVERT: E 11 GLN cc_start: 0.7255 (tt0) cc_final: 0.5770 (tm-30) REVERT: E 16 MET cc_start: 0.8336 (mtm) cc_final: 0.7277 (mtm) REVERT: E 18 ASN cc_start: 0.7951 (t0) cc_final: 0.7335 (t0) REVERT: E 22 GLU cc_start: 0.7612 (pt0) cc_final: 0.6874 (pt0) REVERT: E 23 LEU cc_start: 0.8383 (tp) cc_final: 0.7354 (tp) REVERT: E 27 GLU cc_start: 0.7499 (mt-10) cc_final: 0.7262 (mt-10) REVERT: E 104 ASP cc_start: 0.5388 (t0) cc_final: 0.4977 (t0) REVERT: E 107 ASN cc_start: 0.7348 (t0) cc_final: 0.6968 (t0) REVERT: E 160 MET cc_start: 0.7729 (tmm) cc_final: 0.7512 (tmm) REVERT: E 161 GLU cc_start: 0.7970 (tt0) cc_final: 0.7394 (tt0) REVERT: E 163 LEU cc_start: 0.8737 (pp) cc_final: 0.8043 (tt) REVERT: E 170 LYS cc_start: 0.8320 (mttm) cc_final: 0.7635 (mppt) REVERT: E 174 GLU cc_start: 0.7209 (mp0) cc_final: 0.6802 (mp0) REVERT: E 187 VAL cc_start: 0.8431 (m) cc_final: 0.7887 (t) REVERT: E 189 GLU cc_start: 0.8238 (mt-10) cc_final: 0.7509 (mt-10) REVERT: E 192 ASN cc_start: 0.8123 (m-40) cc_final: 0.7891 (m-40) REVERT: E 194 ILE cc_start: 0.8526 (tt) cc_final: 0.8295 (tt) REVERT: E 198 HIS cc_start: 0.7781 (t-90) cc_final: 0.7117 (t-90) REVERT: E 203 HIS cc_start: 0.7901 (m170) cc_final: 0.7335 (m-70) REVERT: E 218 ILE cc_start: 0.8741 (mm) cc_final: 0.8515 (mm) REVERT: E 222 ASN cc_start: 0.8674 (m-40) cc_final: 0.8111 (m-40) REVERT: E 230 TYR cc_start: 0.8284 (m-80) cc_final: 0.8068 (m-80) REVERT: E 232 ASN cc_start: 0.8938 (m-40) cc_final: 0.7444 (m-40) REVERT: E 235 ARG cc_start: 0.8529 (mtt-85) cc_final: 0.7719 (mtt-85) REVERT: E 258 LEU cc_start: 0.8496 (mt) cc_final: 0.7793 (mt) REVERT: E 261 PHE cc_start: 0.8315 (m-80) cc_final: 0.7638 (m-80) REVERT: E 272 HIS cc_start: 0.7569 (p90) cc_final: 0.6596 (p90) REVERT: E 286 LYS cc_start: 0.7441 (mttp) cc_final: 0.7026 (mttp) REVERT: E 319 MET cc_start: 0.5843 (mmm) cc_final: 0.5318 (mmm) REVERT: E 379 ARG cc_start: 0.8654 (ptp-170) cc_final: 0.8336 (ptp-170) REVERT: E 381 VAL cc_start: 0.7965 (p) cc_final: 0.7665 (t) REVERT: E 401 PHE cc_start: 0.8489 (t80) cc_final: 0.7752 (t80) REVERT: E 402 ASP cc_start: 0.8052 (m-30) cc_final: 0.7743 (m-30) REVERT: E 405 TYR cc_start: 0.7946 (t80) cc_final: 0.7095 (t80) REVERT: E 407 LYS cc_start: 0.8761 (mmmt) cc_final: 0.8214 (mmmt) REVERT: E 408 ARG cc_start: 0.7538 (mmt-90) cc_final: 0.6992 (mpt180) REVERT: E 420 GLU cc_start: 0.7542 (tm-30) cc_final: 0.7070 (pm20) REVERT: E 426 GLU cc_start: 0.8139 (mm-30) cc_final: 0.7648 (mm-30) REVERT: E 431 MET cc_start: 0.8115 (mmp) cc_final: 0.7645 (mmp) REVERT: E 438 TYR cc_start: 0.6415 (m-80) cc_final: 0.6170 (m-80) REVERT: N 3 GLU cc_start: 0.7330 (mp0) cc_final: 0.6848 (mp0) REVERT: N 22 GLU cc_start: 0.8451 (tt0) cc_final: 0.8215 (tt0) REVERT: N 36 TYR cc_start: 0.7749 (t80) cc_final: 0.7153 (t80) REVERT: N 58 LYS cc_start: 0.7514 (tttt) cc_final: 0.7291 (tttt) REVERT: N 62 ARG cc_start: 0.7518 (ttm110) cc_final: 0.7113 (ttm110) REVERT: N 67 ASP cc_start: 0.6888 (t70) cc_final: 0.6574 (t70) REVERT: N 68 LEU cc_start: 0.7528 (mt) cc_final: 0.7307 (mt) REVERT: N 73 MET cc_start: 0.8737 (mmt) cc_final: 0.8153 (mmt) REVERT: N 74 ASP cc_start: 0.7923 (m-30) cc_final: 0.7661 (m-30) REVERT: N 77 ARG cc_start: 0.8125 (ttm110) cc_final: 0.7547 (ttm110) REVERT: N 100 ASN cc_start: 0.8560 (t0) cc_final: 0.8184 (t0) REVERT: N 111 GLU cc_start: 0.7909 (pp20) cc_final: 0.7636 (pp20) REVERT: N 121 ARG cc_start: 0.8686 (mtt90) cc_final: 0.8373 (ptp-110) REVERT: N 123 GLU cc_start: 0.8304 (mm-30) cc_final: 0.7470 (mm-30) REVERT: N 128 ASP cc_start: 0.7262 (p0) cc_final: 0.6328 (p0) REVERT: N 129 CYS cc_start: 0.7766 (m) cc_final: 0.7148 (p) REVERT: N 147 MET cc_start: 0.7278 (tmm) cc_final: 0.6888 (tmm) REVERT: N 151 LEU cc_start: 0.8803 (pp) cc_final: 0.8463 (pp) REVERT: N 154 LYS cc_start: 0.8373 (mmpt) cc_final: 0.8078 (mmpt) REVERT: N 164 MET cc_start: 0.6407 (mtp) cc_final: 0.5365 (mtp) REVERT: N 170 MET cc_start: 0.7574 (mtm) cc_final: 0.7257 (mpp) REVERT: N 202 ILE cc_start: 0.6796 (mt) cc_final: 0.6204 (mt) REVERT: N 205 GLU cc_start: 0.7475 (pt0) cc_final: 0.6681 (pt0) REVERT: N 242 PHE cc_start: 0.8493 (m-80) cc_final: 0.7873 (m-80) REVERT: N 247 ASN cc_start: 0.7277 (m110) cc_final: 0.7032 (m110) REVERT: N 257 MET cc_start: 0.6786 (mtt) cc_final: 0.6057 (mtt) REVERT: N 262 ARG cc_start: 0.7818 (mtp85) cc_final: 0.7176 (mtt180) REVERT: N 264 HIS cc_start: 0.8123 (p-80) cc_final: 0.7131 (p-80) REVERT: N 270 PHE cc_start: 0.7577 (t80) cc_final: 0.7045 (t80) REVERT: N 289 LEU cc_start: 0.8622 (mt) cc_final: 0.7703 (mt) REVERT: N 292 GLN cc_start: 0.8543 (tt0) cc_final: 0.7685 (tt0) REVERT: N 293 MET cc_start: 0.7343 (mmm) cc_final: 0.6589 (mmm) REVERT: N 297 LYS cc_start: 0.7890 (mmmt) cc_final: 0.7317 (mmmt) REVERT: N 309 ARG cc_start: 0.6460 (mtp180) cc_final: 0.6154 (mtp-110) REVERT: N 324 LYS cc_start: 0.8184 (ttpt) cc_final: 0.7852 (ttpt) REVERT: N 326 VAL cc_start: 0.9186 (t) cc_final: 0.8823 (t) REVERT: N 327 ASP cc_start: 0.8682 (m-30) cc_final: 0.8321 (m-30) REVERT: N 330 MET cc_start: 0.8174 (mmp) cc_final: 0.7890 (mmp) REVERT: N 347 ASN cc_start: 0.7336 (t0) cc_final: 0.6951 (t0) REVERT: N 350 LYS cc_start: 0.7997 (tmtt) cc_final: 0.7785 (tmtt) REVERT: N 362 LYS cc_start: 0.7915 (mmmt) cc_final: 0.6982 (mmmt) REVERT: N 363 MET cc_start: 0.7495 (mmm) cc_final: 0.7171 (mmp) REVERT: N 367 PHE cc_start: 0.8320 (t80) cc_final: 0.7993 (t80) REVERT: N 381 ILE cc_start: 0.8372 (mm) cc_final: 0.8040 (mm) REVERT: N 388 MET cc_start: 0.7928 (mtp) cc_final: 0.7249 (mmp) REVERT: N 390 ARG cc_start: 0.7768 (ptt90) cc_final: 0.7307 (ptt90) REVERT: N 392 LYS cc_start: 0.7606 (mtmm) cc_final: 0.7026 (mmtm) REVERT: N 397 TRP cc_start: 0.6956 (m100) cc_final: 0.6059 (m100) REVERT: N 407 GLU cc_start: 0.8374 (mt-10) cc_final: 0.7709 (mt-10) REVERT: N 415 MET cc_start: 0.8332 (tpt) cc_final: 0.7725 (tpp) REVERT: N 417 ASP cc_start: 0.7076 (m-30) cc_final: 0.6772 (m-30) REVERT: N 423 GLN cc_start: 0.8553 (tp-100) cc_final: 0.8291 (tp-100) REVERT: W 10 LYS cc_start: 0.7222 (mttt) cc_final: 0.6975 (mttt) REVERT: W 32 LYS cc_start: 0.8572 (mmmt) cc_final: 0.8214 (mmmt) REVERT: W 95 MET cc_start: 0.7237 (mtt) cc_final: 0.6654 (mtt) REVERT: W 113 GLN cc_start: 0.8271 (mm-40) cc_final: 0.7973 (mm-40) REVERT: W 114 ASP cc_start: 0.7811 (t0) cc_final: 0.7267 (p0) REVERT: W 171 ARG cc_start: 0.6734 (mtt180) cc_final: 0.6336 (mtt180) REVERT: W 185 GLU cc_start: 0.7312 (pp20) cc_final: 0.6366 (pp20) REVERT: W 268 LEU cc_start: 0.7923 (mt) cc_final: 0.7682 (mt) REVERT: W 282 MET cc_start: 0.8408 (tpt) cc_final: 0.8157 (tpt) REVERT: W 311 GLU cc_start: 0.8556 (pm20) cc_final: 0.8276 (pm20) REVERT: F 11 GLN cc_start: 0.7252 (tp40) cc_final: 0.6918 (tp-100) REVERT: F 15 GLN cc_start: 0.8410 (mm-40) cc_final: 0.8111 (mm-40) REVERT: F 24 TYR cc_start: 0.7955 (m-80) cc_final: 0.7216 (m-80) REVERT: F 31 GLN cc_start: 0.7615 (mt0) cc_final: 0.6897 (mp10) REVERT: F 72 VAL cc_start: 0.8184 (m) cc_final: 0.7444 (p) REVERT: F 79 THR cc_start: 0.8092 (p) cc_final: 0.7652 (p) REVERT: F 83 GLU cc_start: 0.7568 (tm-30) cc_final: 0.7361 (tm-30) REVERT: F 84 ILE cc_start: 0.8765 (mt) cc_final: 0.8432 (mp) REVERT: F 96 GLU cc_start: 0.7285 (tt0) cc_final: 0.6313 (tt0) REVERT: F 127 ARG cc_start: 0.7470 (tpp80) cc_final: 0.6544 (tpp80) REVERT: F 134 GLN cc_start: 0.7430 (pp30) cc_final: 0.6958 (tm-30) REVERT: F 160 MET cc_start: 0.7977 (tmm) cc_final: 0.6876 (tmm) REVERT: F 172 LYS cc_start: 0.7745 (ptpp) cc_final: 0.6646 (ptmt) REVERT: F 175 PHE cc_start: 0.6834 (m-10) cc_final: 0.6276 (m-10) REVERT: F 189 GLU cc_start: 0.7462 (pm20) cc_final: 0.7220 (pm20) REVERT: F 192 ASN cc_start: 0.8187 (m-40) cc_final: 0.7780 (m-40) REVERT: F 230 TYR cc_start: 0.7321 (m-10) cc_final: 0.6784 (m-80) REVERT: F 235 ARG cc_start: 0.7465 (mtt-85) cc_final: 0.6924 (mtt-85) REVERT: F 240 ILE cc_start: 0.8210 (mt) cc_final: 0.7777 (mt) REVERT: F 277 THR cc_start: 0.7203 (t) cc_final: 0.5114 (m) REVERT: F 282 ILE cc_start: 0.7592 (tp) cc_final: 0.7339 (tp) REVERT: F 286 LYS cc_start: 0.8396 (ttmm) cc_final: 0.8151 (ttmm) REVERT: F 303 GLU cc_start: 0.8519 (tm-30) cc_final: 0.8258 (tm-30) REVERT: F 308 MET cc_start: 0.7245 (mpp) cc_final: 0.6547 (mpp) REVERT: F 321 CYS cc_start: 0.8232 (t) cc_final: 0.7718 (t) REVERT: F 355 THR cc_start: 0.7896 (p) cc_final: 0.7515 (p) REVERT: F 369 VAL cc_start: 0.8191 (t) cc_final: 0.7608 (p) REVERT: F 376 LYS cc_start: 0.7860 (tmtt) cc_final: 0.7597 (tptp) REVERT: F 383 MET cc_start: 0.7877 (ttm) cc_final: 0.6854 (tmm) REVERT: F 386 ASN cc_start: 0.6858 (t0) cc_final: 0.6639 (t0) REVERT: F 412 HIS cc_start: 0.7794 (p90) cc_final: 0.6738 (p-80) REVERT: F 426 GLU cc_start: 0.8234 (mm-30) cc_final: 0.7737 (mm-30) REVERT: O 20 PHE cc_start: 0.8413 (t80) cc_final: 0.8210 (t80) REVERT: O 57 ASN cc_start: 0.7649 (m-40) cc_final: 0.7448 (m-40) REVERT: O 68 LEU cc_start: 0.7838 (tp) cc_final: 0.7549 (tp) REVERT: O 73 MET cc_start: 0.8058 (mmt) cc_final: 0.7448 (mmt) REVERT: O 74 ASP cc_start: 0.7955 (m-30) cc_final: 0.7744 (m-30) REVERT: O 78 SER cc_start: 0.8212 (m) cc_final: 0.7744 (p) REVERT: O 83 GLN cc_start: 0.7911 (mm-40) cc_final: 0.7622 (mm110) REVERT: O 92 PHE cc_start: 0.7941 (p90) cc_final: 0.7413 (p90) REVERT: O 138 SER cc_start: 0.7746 (p) cc_final: 0.7530 (m) REVERT: O 147 MET cc_start: 0.7305 (tmm) cc_final: 0.6929 (tmm) REVERT: O 164 MET cc_start: 0.7247 (mtp) cc_final: 0.5950 (mtp) REVERT: O 181 GLU cc_start: 0.7770 (mt-10) cc_final: 0.7154 (mt-10) REVERT: O 195 ASN cc_start: 0.7481 (m-40) cc_final: 0.6743 (m-40) REVERT: O 198 GLU cc_start: 0.7548 (pt0) cc_final: 0.6970 (pt0) REVERT: O 200 TYR cc_start: 0.7857 (m-80) cc_final: 0.7348 (m-80) REVERT: O 222 TYR cc_start: 0.7407 (m-80) cc_final: 0.6949 (m-80) REVERT: O 246 LEU cc_start: 0.7399 (tp) cc_final: 0.7182 (tt) REVERT: O 247 ASN cc_start: 0.7166 (m110) cc_final: 0.6824 (m110) REVERT: O 253 LEU cc_start: 0.8496 (mp) cc_final: 0.7933 (mp) REVERT: O 264 HIS cc_start: 0.7567 (p-80) cc_final: 0.6788 (p-80) REVERT: O 286 VAL cc_start: 0.8704 (m) cc_final: 0.8406 (p) REVERT: O 293 MET cc_start: 0.7568 (mtp) cc_final: 0.6769 (mtp) REVERT: O 311 LEU cc_start: 0.6899 (mt) cc_final: 0.6478 (mt) REVERT: O 321 MET cc_start: 0.8146 (ptp) cc_final: 0.7941 (pmm) REVERT: O 323 MET cc_start: 0.7754 (mmp) cc_final: 0.6875 (tpt) REVERT: O 327 ASP cc_start: 0.8548 (m-30) cc_final: 0.8073 (m-30) REVERT: O 341 PHE cc_start: 0.7416 (m-80) cc_final: 0.7114 (m-80) REVERT: O 362 LYS cc_start: 0.7713 (mmmt) cc_final: 0.6769 (mmmt) REVERT: O 363 MET cc_start: 0.7630 (mmm) cc_final: 0.7348 (mmm) REVERT: O 367 PHE cc_start: 0.7807 (t80) cc_final: 0.7461 (t80) REVERT: O 375 GLN cc_start: 0.7669 (pp30) cc_final: 0.7279 (pp30) REVERT: O 392 LYS cc_start: 0.8477 (mtmm) cc_final: 0.8182 (mtmm) REVERT: O 408 PHE cc_start: 0.7891 (m-80) cc_final: 0.7287 (m-80) REVERT: O 414 ASN cc_start: 0.8476 (m110) cc_final: 0.8049 (m-40) REVERT: O 421 GLU cc_start: 0.7500 (tt0) cc_final: 0.7037 (tt0) REVERT: X 52 PHE cc_start: 0.4671 (m-80) cc_final: 0.4234 (m-80) REVERT: X 61 VAL cc_start: 0.7026 (t) cc_final: 0.6793 (t) REVERT: X 127 GLU cc_start: 0.5900 (tt0) cc_final: 0.5371 (tt0) REVERT: X 220 GLU cc_start: 0.6882 (mm-30) cc_final: 0.6652 (mp0) REVERT: X 302 CYS cc_start: 0.7316 (m) cc_final: 0.6888 (m) REVERT: G 23 LEU cc_start: 0.8143 (tp) cc_final: 0.7675 (tp) REVERT: G 27 GLU cc_start: 0.7965 (mt-10) cc_final: 0.7362 (mt-10) REVERT: G 72 VAL cc_start: 0.7280 (m) cc_final: 0.6896 (p) REVERT: G 91 GLN cc_start: 0.7259 (mm-40) cc_final: 0.6620 (mm-40) REVERT: G 93 PHE cc_start: 0.7326 (m-80) cc_final: 0.6848 (m-80) REVERT: G 134 GLN cc_start: 0.8657 (tm-30) cc_final: 0.8304 (tm-30) REVERT: G 163 LEU cc_start: 0.7862 (pp) cc_final: 0.7571 (pp) REVERT: G 169 LYS cc_start: 0.8521 (ptpp) cc_final: 0.8288 (ptpp) REVERT: G 174 GLU cc_start: 0.6453 (mp0) cc_final: 0.5635 (mp0) REVERT: G 175 PHE cc_start: 0.6213 (m-10) cc_final: 0.5963 (m-10) REVERT: G 178 TYR cc_start: 0.5739 (m-10) cc_final: 0.4812 (m-10) REVERT: G 192 ASN cc_start: 0.8461 (m-40) cc_final: 0.8048 (m-40) REVERT: G 199 THR cc_start: 0.8097 (p) cc_final: 0.7703 (p) REVERT: G 205 ASP cc_start: 0.7601 (m-30) cc_final: 0.7065 (m-30) REVERT: G 206 CYS cc_start: 0.7008 (p) cc_final: 0.5761 (p) REVERT: G 217 ASP cc_start: 0.7613 (t0) cc_final: 0.7095 (t0) REVERT: G 230 TYR cc_start: 0.7560 (m-80) cc_final: 0.7003 (m-80) REVERT: G 235 ARG cc_start: 0.7575 (mtt-85) cc_final: 0.7316 (tpp80) REVERT: G 240 ILE cc_start: 0.7728 (mt) cc_final: 0.7512 (mt) REVERT: G 248 LEU cc_start: 0.8488 (mt) cc_final: 0.8271 (mp) REVERT: G 258 LEU cc_start: 0.8079 (mt) cc_final: 0.7807 (mm) REVERT: G 277 THR cc_start: 0.8186 (t) cc_final: 0.7823 (p) REVERT: G 283 SER cc_start: 0.7992 (p) cc_final: 0.7779 (p) REVERT: G 299 ASN cc_start: 0.8092 (m110) cc_final: 0.7801 (m110) REVERT: G 303 GLU cc_start: 0.8078 (tm-30) cc_final: 0.7589 (tm-30) REVERT: G 312 ASP cc_start: 0.8064 (t0) cc_final: 0.6851 (t0) REVERT: G 315 HIS cc_start: 0.7842 (m90) cc_final: 0.7514 (m170) REVERT: G 324 LEU cc_start: 0.7668 (mp) cc_final: 0.7154 (mp) REVERT: G 363 TYR cc_start: 0.6987 (m-80) cc_final: 0.6727 (m-80) REVERT: G 369 VAL cc_start: 0.8254 (t) cc_final: 0.7901 (p) REVERT: G 378 GLN cc_start: 0.8128 (mm110) cc_final: 0.7517 (mm110) REVERT: G 382 CYS cc_start: 0.6930 (p) cc_final: 0.6333 (p) REVERT: G 400 LYS cc_start: 0.7911 (ptpt) cc_final: 0.7671 (ptpp) REVERT: G 404 MET cc_start: 0.8735 (mtm) cc_final: 0.8318 (mtp) REVERT: G 407 LYS cc_start: 0.8599 (mmmt) cc_final: 0.8128 (mmmm) REVERT: G 426 GLU cc_start: 0.7960 (mm-30) cc_final: 0.7187 (mm-30) REVERT: G 440 GLU cc_start: 0.7972 (mt-10) cc_final: 0.7497 (mt-10) REVERT: P 11 GLN cc_start: 0.7418 (tt0) cc_final: 0.6676 (tm-30) REVERT: P 14 ASN cc_start: 0.7614 (m-40) cc_final: 0.7319 (m-40) REVERT: P 19 LYS cc_start: 0.8068 (tptt) cc_final: 0.7288 (tptt) REVERT: P 21 TRP cc_start: 0.7914 (m100) cc_final: 0.7668 (m100) REVERT: P 47 ILE cc_start: 0.8197 (tt) cc_final: 0.7865 (tt) REVERT: P 59 TYR cc_start: 0.7792 (m-80) cc_final: 0.7276 (m-80) REVERT: P 68 LEU cc_start: 0.8113 (mm) cc_final: 0.7901 (mt) REVERT: P 73 MET cc_start: 0.8472 (mmt) cc_final: 0.7681 (mmt) REVERT: P 74 ASP cc_start: 0.8178 (m-30) cc_final: 0.7825 (m-30) REVERT: P 84 ILE cc_start: 0.7907 (tt) cc_final: 0.7672 (tt) REVERT: P 89 ASN cc_start: 0.8539 (m-40) cc_final: 0.8095 (m110) REVERT: P 134 GLN cc_start: 0.6845 (tp-100) cc_final: 0.6386 (tp-100) REVERT: P 147 MET cc_start: 0.7216 (tmm) cc_final: 0.6832 (tmm) REVERT: P 160 PRO cc_start: 0.8096 (Cg_endo) cc_final: 0.7830 (Cg_exo) REVERT: P 164 MET cc_start: 0.7538 (mtp) cc_final: 0.6661 (mtp) REVERT: P 181 GLU cc_start: 0.7320 (mt-10) cc_final: 0.6858 (mt-10) REVERT: P 184 ASN cc_start: 0.7852 (m-40) cc_final: 0.7339 (m-40) REVERT: P 195 ASN cc_start: 0.8202 (m-40) cc_final: 0.7017 (m-40) REVERT: P 198 GLU cc_start: 0.6847 (pt0) cc_final: 0.6580 (pt0) REVERT: P 199 THR cc_start: 0.7347 (m) cc_final: 0.6901 (t) REVERT: P 202 ILE cc_start: 0.5723 (mt) cc_final: 0.5035 (mt) REVERT: P 216 LYS cc_start: 0.8792 (ptpt) cc_final: 0.8219 (ptpt) REVERT: P 262 ARG cc_start: 0.8105 (mtp85) cc_final: 0.7565 (mtp180) REVERT: P 264 HIS cc_start: 0.7760 (p-80) cc_final: 0.6646 (p-80) REVERT: P 266 PHE cc_start: 0.7070 (m-10) cc_final: 0.6849 (m-10) REVERT: P 284 LEU cc_start: 0.8188 (pt) cc_final: 0.7980 (pp) REVERT: P 288 GLU cc_start: 0.7051 (tt0) cc_final: 0.6491 (tt0) REVERT: P 289 LEU cc_start: 0.8545 (mt) cc_final: 0.8285 (mt) REVERT: P 297 LYS cc_start: 0.8038 (mmmt) cc_final: 0.7611 (mmmt) REVERT: P 299 MET cc_start: 0.6915 (mtm) cc_final: 0.6624 (mtm) REVERT: P 300 MET cc_start: 0.7059 (mtm) cc_final: 0.6504 (mtm) REVERT: P 318 ARG cc_start: 0.6784 (ttp-170) cc_final: 0.5719 (ttp-170) REVERT: P 320 ARG cc_start: 0.7051 (mmm160) cc_final: 0.6757 (mmm160) REVERT: P 323 MET cc_start: 0.7706 (mmp) cc_final: 0.6220 (mmp) REVERT: P 327 ASP cc_start: 0.8545 (m-30) cc_final: 0.8181 (m-30) REVERT: P 336 LYS cc_start: 0.8490 (mtmm) cc_final: 0.8187 (mtmm) REVERT: P 337 ASN cc_start: 0.7751 (m-40) cc_final: 0.6901 (t0) REVERT: P 359 ARG cc_start: 0.7116 (ttm-80) cc_final: 0.6797 (ttm-80) REVERT: P 362 LYS cc_start: 0.7587 (mmmt) cc_final: 0.6630 (mmmt) REVERT: P 363 MET cc_start: 0.7930 (mmm) cc_final: 0.7380 (mmm) REVERT: P 364 SER cc_start: 0.7489 (m) cc_final: 0.7003 (p) REVERT: P 379 LYS cc_start: 0.8239 (mmtp) cc_final: 0.7680 (mmtp) REVERT: P 380 ARG cc_start: 0.7855 (ptm-80) cc_final: 0.7353 (ptm-80) REVERT: P 383 GLU cc_start: 0.8112 (mm-30) cc_final: 0.7790 (mm-30) REVERT: P 388 MET cc_start: 0.8111 (mtp) cc_final: 0.7611 (tpp) REVERT: P 390 ARG cc_start: 0.7996 (ptm-80) cc_final: 0.7482 (ptm-80) REVERT: P 391 ARG cc_start: 0.7521 (mtp-110) cc_final: 0.7319 (mtp85) REVERT: P 392 LYS cc_start: 0.8100 (mtmm) cc_final: 0.7604 (mtmm) REVERT: P 395 LEU cc_start: 0.8167 (mt) cc_final: 0.7920 (mt) REVERT: P 407 GLU cc_start: 0.8166 (mt-10) cc_final: 0.7389 (mt-10) REVERT: P 408 PHE cc_start: 0.8467 (m-80) cc_final: 0.8096 (m-80) REVERT: P 410 GLU cc_start: 0.7883 (mt-10) cc_final: 0.7603 (mt-10) REVERT: P 414 ASN cc_start: 0.8343 (m-40) cc_final: 0.8106 (m-40) REVERT: Z 18 LEU cc_start: 0.7904 (mt) cc_final: 0.7688 (mt) REVERT: Z 32 LYS cc_start: 0.7375 (tppt) cc_final: 0.6539 (tptp) REVERT: Z 58 GLN cc_start: 0.7705 (mm110) cc_final: 0.7327 (mm110) REVERT: Z 63 ASN cc_start: 0.7244 (p0) cc_final: 0.7044 (p0) REVERT: Z 180 MET cc_start: 0.6520 (mmm) cc_final: 0.6186 (mpp) REVERT: Z 185 GLU cc_start: 0.5831 (pp20) cc_final: 0.5243 (pp20) REVERT: Z 197 MET cc_start: 0.6644 (pmm) cc_final: 0.5614 (pmm) REVERT: Z 282 MET cc_start: 0.7814 (tpt) cc_final: 0.7248 (tpt) REVERT: Z 311 GLU cc_start: 0.8421 (mp0) cc_final: 0.7726 (mp0) REVERT: H 11 GLN cc_start: 0.6674 (tp-100) cc_final: 0.5520 (tp40) REVERT: H 15 GLN cc_start: 0.7596 (mm-40) cc_final: 0.6936 (mm110) REVERT: H 16 MET cc_start: 0.7713 (mtm) cc_final: 0.6734 (mmt) REVERT: H 23 LEU cc_start: 0.8190 (tp) cc_final: 0.7739 (tp) REVERT: H 31 GLN cc_start: 0.7715 (mt0) cc_final: 0.7234 (mt0) REVERT: H 70 ARG cc_start: 0.7397 (mmt90) cc_final: 0.7015 (mmt90) REVERT: H 75 ASP cc_start: 0.5921 (t0) cc_final: 0.5272 (t0) REVERT: H 83 GLU cc_start: 0.7892 (tm-30) cc_final: 0.7462 (tm-30) REVERT: H 84 ILE cc_start: 0.8901 (mt) cc_final: 0.8468 (mm) REVERT: H 93 PHE cc_start: 0.7113 (m-80) cc_final: 0.6852 (m-80) REVERT: H 96 GLU cc_start: 0.7441 (tt0) cc_final: 0.6786 (tt0) REVERT: H 104 ASP cc_start: 0.5435 (t0) cc_final: 0.5114 (t0) REVERT: H 120 ILE cc_start: 0.8451 (tp) cc_final: 0.8193 (tp) REVERT: H 161 GLU cc_start: 0.7734 (tt0) cc_final: 0.7431 (tt0) REVERT: H 170 LYS cc_start: 0.7970 (tppt) cc_final: 0.7525 (tppp) REVERT: H 174 GLU cc_start: 0.7199 (mp0) cc_final: 0.6073 (mp0) REVERT: H 203 HIS cc_start: 0.7787 (m-70) cc_final: 0.7518 (m-70) REVERT: H 206 CYS cc_start: 0.7604 (p) cc_final: 0.6529 (p) REVERT: H 209 MET cc_start: 0.7999 (mmm) cc_final: 0.7567 (mmm) REVERT: H 211 ASP cc_start: 0.6763 (t0) cc_final: 0.6345 (t0) REVERT: H 232 ASN cc_start: 0.8738 (m110) cc_final: 0.7353 (m110) REVERT: H 235 ARG cc_start: 0.8258 (mtt-85) cc_final: 0.7631 (mtt-85) REVERT: H 257 ASP cc_start: 0.7482 (p0) cc_final: 0.6983 (p0) REVERT: H 303 GLU cc_start: 0.7648 (tm-30) cc_final: 0.7350 (tm-30) REVERT: H 308 MET cc_start: 0.7373 (mpp) cc_final: 0.6940 (mmt) REVERT: H 311 CYS cc_start: 0.7872 (m) cc_final: 0.7549 (m) REVERT: H 312 ASP cc_start: 0.8116 (t0) cc_final: 0.7776 (t0) REVERT: H 317 LYS cc_start: 0.7904 (mttm) cc_final: 0.6838 (mmtm) REVERT: H 319 MET cc_start: 0.5972 (mmm) cc_final: 0.5290 (mmm) REVERT: H 338 ILE cc_start: 0.8123 (pt) cc_final: 0.7900 (pt) REVERT: H 405 TYR cc_start: 0.7813 (t80) cc_final: 0.7377 (t80) REVERT: H 407 LYS cc_start: 0.8792 (mmmt) cc_final: 0.8460 (mmmt) REVERT: H 408 ARG cc_start: 0.7948 (mmt-90) cc_final: 0.7223 (mmt-90) REVERT: H 426 GLU cc_start: 0.7853 (mm-30) cc_final: 0.7170 (mm-30) REVERT: H 430 ASP cc_start: 0.8172 (t0) cc_final: 0.7935 (t0) REVERT: R 3 GLU cc_start: 0.6866 (mp0) cc_final: 0.6184 (mp0) REVERT: R 11 GLN cc_start: 0.7257 (tt0) cc_final: 0.6673 (tm-30) REVERT: R 73 MET cc_start: 0.8344 (mmt) cc_final: 0.7597 (mmt) REVERT: R 74 ASP cc_start: 0.8038 (m-30) cc_final: 0.7718 (m-30) REVERT: R 100 ASN cc_start: 0.8009 (t0) cc_final: 0.7438 (t0) REVERT: R 108 GLU cc_start: 0.8050 (mm-30) cc_final: 0.7600 (mm-30) REVERT: R 111 GLU cc_start: 0.7715 (pp20) cc_final: 0.7481 (pp20) REVERT: R 121 ARG cc_start: 0.8273 (mtt180) cc_final: 0.7879 (ptp-110) REVERT: R 128 ASP cc_start: 0.7318 (p0) cc_final: 0.6750 (p0) REVERT: R 129 CYS cc_start: 0.6702 (t) cc_final: 0.5714 (p) REVERT: R 164 MET cc_start: 0.5876 (mtp) cc_final: 0.5434 (mtp) REVERT: R 167 PHE cc_start: 0.8130 (m-80) cc_final: 0.7689 (m-10) REVERT: R 216 LYS cc_start: 0.8052 (ptmt) cc_final: 0.7598 (ptmt) REVERT: R 217 LEU cc_start: 0.8225 (mm) cc_final: 0.7847 (mm) REVERT: R 224 ASP cc_start: 0.8082 (m-30) cc_final: 0.7877 (m-30) REVERT: R 242 PHE cc_start: 0.8492 (m-80) cc_final: 0.8217 (m-80) REVERT: R 260 PHE cc_start: 0.7581 (m-10) cc_final: 0.7363 (m-10) REVERT: R 264 HIS cc_start: 0.8073 (p-80) cc_final: 0.6554 (p-80) REVERT: R 266 PHE cc_start: 0.7199 (m-10) cc_final: 0.6980 (m-10) REVERT: R 289 LEU cc_start: 0.8214 (mt) cc_final: 0.7929 (pp) REVERT: R 290 THR cc_start: 0.8585 (m) cc_final: 0.8299 (p) REVERT: R 292 GLN cc_start: 0.8458 (tt0) cc_final: 0.8080 (tt0) REVERT: R 293 MET cc_start: 0.7902 (mtp) cc_final: 0.7199 (mtp) REVERT: R 297 LYS cc_start: 0.7717 (mmmt) cc_final: 0.7380 (mmmt) REVERT: R 298 ASN cc_start: 0.8365 (t0) cc_final: 0.7774 (t0) REVERT: R 303 CYS cc_start: 0.6053 (m) cc_final: 0.5519 (m) REVERT: R 323 MET cc_start: 0.7485 (mmp) cc_final: 0.7243 (mmp) REVERT: R 326 VAL cc_start: 0.9125 (t) cc_final: 0.8525 (t) REVERT: R 327 ASP cc_start: 0.8719 (m-30) cc_final: 0.8327 (m-30) REVERT: R 328 GLU cc_start: 0.7433 (pp20) cc_final: 0.6927 (pp20) REVERT: R 330 MET cc_start: 0.8447 (mmp) cc_final: 0.8036 (mmp) REVERT: R 347 ASN cc_start: 0.7507 (t0) cc_final: 0.7231 (t0) REVERT: R 350 LYS cc_start: 0.8033 (tmtt) cc_final: 0.7707 (tmtt) REVERT: R 362 LYS cc_start: 0.8162 (mmmt) cc_final: 0.7288 (mmmt) REVERT: R 363 MET cc_start: 0.8081 (mmm) cc_final: 0.7675 (mmp) REVERT: R 367 PHE cc_start: 0.8346 (t80) cc_final: 0.7556 (t80) REVERT: R 390 ARG cc_start: 0.7630 (ptt90) cc_final: 0.7124 (ptt90) REVERT: R 392 LYS cc_start: 0.7574 (mtmm) cc_final: 0.7084 (mmtm) REVERT: R 397 TRP cc_start: 0.6629 (m100) cc_final: 0.6329 (m100) REVERT: R 410 GLU cc_start: 0.7775 (mt-10) cc_final: 0.7325 (mt-10) REVERT: R 415 MET cc_start: 0.8111 (mmm) cc_final: 0.7760 (mmm) REVERT: a 36 GLU cc_start: 0.6987 (mt-10) cc_final: 0.6476 (mt-10) REVERT: a 44 LYS cc_start: 0.6905 (tmtt) cc_final: 0.6429 (tmtt) REVERT: a 95 MET cc_start: 0.7281 (mtt) cc_final: 0.6917 (mtt) REVERT: a 103 GLU cc_start: 0.7676 (tp30) cc_final: 0.7184 (tp30) REVERT: a 122 MET cc_start: 0.5921 (mmp) cc_final: 0.5719 (mmp) REVERT: a 176 PRO cc_start: 0.5986 (Cg_endo) cc_final: 0.5445 (Cg_exo) REVERT: a 248 LEU cc_start: 0.8062 (mt) cc_final: 0.7543 (mt) REVERT: a 252 LYS cc_start: 0.6958 (mttt) cc_final: 0.6600 (mttt) REVERT: a 268 LEU cc_start: 0.7927 (mt) cc_final: 0.7679 (mt) REVERT: a 282 MET cc_start: 0.8351 (tpt) cc_final: 0.7915 (tpt) REVERT: a 307 TYR cc_start: 0.6224 (t80) cc_final: 0.5756 (t80) REVERT: a 308 ASN cc_start: 0.7392 (m-40) cc_final: 0.7026 (m-40) REVERT: a 310 SER cc_start: 0.8488 (t) cc_final: 0.7940 (m) REVERT: a 311 GLU cc_start: 0.8620 (pm20) cc_final: 0.8000 (pm20) outliers start: 9 outliers final: 0 residues processed: 3740 average time/residue: 0.8473 time to fit residues: 5391.9594 Evaluate side-chains 3607 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3606 time to evaluate : 6.936 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 840 optimal weight: 0.9990 chunk 572 optimal weight: 6.9990 chunk 14 optimal weight: 0.6980 chunk 751 optimal weight: 8.9990 chunk 416 optimal weight: 1.9990 chunk 861 optimal weight: 2.9990 chunk 697 optimal weight: 4.9990 chunk 1 optimal weight: 1.9990 chunk 515 optimal weight: 10.0000 chunk 905 optimal weight: 0.1980 chunk 254 optimal weight: 4.9990 overall best weight: 1.1786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** I 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 139 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 198 HIS I 306 ASN ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 184 ASN Q 292 GLN Q 375 GLN Q 396 HIS Y 156 HIS A 198 HIS ** A 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 262 GLN ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 190 HIS T 156 HIS ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 99 ASN ** L 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 337 ASN ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 117 ASN ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 291 GLN D 335 ASN M 424 GLN V 156 HIS V 211 ASN ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 145 HIS E 291 GLN ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 335 ASN ** O 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 86 GLN X 156 HIS ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 327 ASN G 97 GLN ** G 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 198 HIS G 262 GLN G 289 HIS G 335 ASN ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 298 ASN Z 60 GLN H 28 HIS ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 335 ASN ** R 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 337 ASN ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 35 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6666 moved from start: 0.4533 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.040 85869 Z= 0.159 Angle : 0.561 11.183 116442 Z= 0.280 Chirality : 0.045 0.264 12780 Planarity : 0.003 0.066 15093 Dihedral : 8.333 152.742 12231 Min Nonbonded Distance : 2.119 Molprobity Statistics. All-atom Clashscore : 12.89 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.64 % Favored : 97.36 % Rotamer: Outliers : 0.05 % Allowed : 2.30 % Favored : 97.64 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.97 (0.08), residues: 10530 helix: -0.24 (0.08), residues: 4239 sheet: -0.71 (0.12), residues: 1926 loop : -0.86 (0.09), residues: 4365 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.030 0.001 TRP P 397 HIS 0.010 0.001 HIS G 289 PHE 0.031 0.001 PHE O 212 TYR 0.028 0.001 TYR I 230 ARG 0.010 0.000 ARG G 408 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3709 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 3704 time to evaluate : 7.079 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 11 GLN cc_start: 0.6822 (tp-100) cc_final: 0.6453 (tp40) REVERT: I 15 GLN cc_start: 0.8188 (mm-40) cc_final: 0.7942 (mm110) REVERT: I 16 MET cc_start: 0.8545 (mtm) cc_final: 0.8278 (mtm) REVERT: I 23 LEU cc_start: 0.8639 (tp) cc_final: 0.8380 (tp) REVERT: I 31 GLN cc_start: 0.7682 (mt0) cc_final: 0.7423 (mt0) REVERT: I 61 GLU cc_start: 0.6185 (tm-30) cc_final: 0.5940 (tm-30) REVERT: I 75 ASP cc_start: 0.6330 (t0) cc_final: 0.6122 (t0) REVERT: I 83 GLU cc_start: 0.8288 (tm-30) cc_final: 0.7965 (tm-30) REVERT: I 93 PHE cc_start: 0.7233 (m-80) cc_final: 0.6874 (m-80) REVERT: I 119 GLU cc_start: 0.7935 (pp20) cc_final: 0.7679 (pp20) REVERT: I 127 ARG cc_start: 0.8130 (tpp-160) cc_final: 0.7767 (tpt-90) REVERT: I 134 GLN cc_start: 0.8489 (tm-30) cc_final: 0.8059 (tp40) REVERT: I 155 PHE cc_start: 0.7830 (t80) cc_final: 0.7030 (t80) REVERT: I 158 LEU cc_start: 0.8487 (tp) cc_final: 0.7994 (tp) REVERT: I 160 MET cc_start: 0.8084 (tmm) cc_final: 0.7036 (tmm) REVERT: I 161 GLU cc_start: 0.8233 (tt0) cc_final: 0.7638 (tm-30) REVERT: I 164 SER cc_start: 0.8321 (p) cc_final: 0.8117 (p) REVERT: I 169 LYS cc_start: 0.8680 (ptpp) cc_final: 0.8362 (ptpp) REVERT: I 170 LYS cc_start: 0.8323 (mmtt) cc_final: 0.8102 (tppt) REVERT: I 178 TYR cc_start: 0.5595 (m-10) cc_final: 0.5320 (m-10) REVERT: I 196 THR cc_start: 0.8276 (t) cc_final: 0.7813 (p) REVERT: I 205 ASP cc_start: 0.7898 (m-30) cc_final: 0.7466 (m-30) REVERT: I 212 ASN cc_start: 0.8295 (m-40) cc_final: 0.7190 (m-40) REVERT: I 217 ASP cc_start: 0.7292 (t0) cc_final: 0.7035 (t0) REVERT: I 221 ARG cc_start: 0.7033 (ttm110) cc_final: 0.6569 (ttm110) REVERT: I 235 ARG cc_start: 0.7744 (mtt-85) cc_final: 0.7434 (mtt-85) REVERT: I 248 LEU cc_start: 0.8724 (mt) cc_final: 0.8483 (mp) REVERT: I 255 ASN cc_start: 0.7437 (m110) cc_final: 0.6995 (m110) REVERT: I 257 ASP cc_start: 0.7396 (p0) cc_final: 0.6338 (p0) REVERT: I 258 LEU cc_start: 0.8247 (mt) cc_final: 0.7704 (mm) REVERT: I 262 GLN cc_start: 0.7947 (mp-120) cc_final: 0.7145 (mp-120) REVERT: I 312 ASP cc_start: 0.7521 (t0) cc_final: 0.6285 (t0) REVERT: I 315 HIS cc_start: 0.7339 (m90) cc_final: 0.7122 (m-70) REVERT: I 332 LYS cc_start: 0.7839 (pttm) cc_final: 0.7142 (ptmt) REVERT: I 342 LYS cc_start: 0.8913 (tptt) cc_final: 0.8347 (mmmt) REVERT: I 344 LYS cc_start: 0.8005 (ttmm) cc_final: 0.7778 (ttmm) REVERT: I 345 ARG cc_start: 0.7582 (mmm160) cc_final: 0.7248 (tpp-160) REVERT: I 358 LYS cc_start: 0.6950 (tptt) cc_final: 0.6006 (mmmt) REVERT: I 378 GLN cc_start: 0.7616 (mm110) cc_final: 0.7034 (mm-40) REVERT: I 379 ARG cc_start: 0.8405 (ptp90) cc_final: 0.7898 (mtm180) REVERT: I 400 LYS cc_start: 0.8472 (ptpt) cc_final: 0.8093 (ptpp) REVERT: I 408 ARG cc_start: 0.8004 (mmp80) cc_final: 0.7777 (mmp-170) REVERT: I 419 MET cc_start: 0.3969 (tpp) cc_final: 0.3279 (ttm) REVERT: I 428 ARG cc_start: 0.7885 (tpt90) cc_final: 0.7598 (tpt90) REVERT: I 441 VAL cc_start: 0.8766 (p) cc_final: 0.8353 (p) REVERT: Q 11 GLN cc_start: 0.7677 (tt0) cc_final: 0.6545 (tm-30) REVERT: Q 21 TRP cc_start: 0.8658 (m100) cc_final: 0.7880 (m100) REVERT: Q 24 ILE cc_start: 0.8575 (pt) cc_final: 0.8349 (pt) REVERT: Q 31 ASP cc_start: 0.7318 (t0) cc_final: 0.6907 (t0) REVERT: Q 58 LYS cc_start: 0.7814 (ttmt) cc_final: 0.7352 (ttmt) REVERT: Q 73 MET cc_start: 0.8628 (mmt) cc_final: 0.7656 (mmt) REVERT: Q 99 ASN cc_start: 0.7106 (m-40) cc_final: 0.6776 (m-40) REVERT: Q 108 GLU cc_start: 0.7720 (mp0) cc_final: 0.6800 (mp0) REVERT: Q 117 LEU cc_start: 0.8270 (mp) cc_final: 0.7604 (mp) REVERT: Q 120 VAL cc_start: 0.8678 (m) cc_final: 0.8320 (t) REVERT: Q 121 ARG cc_start: 0.8086 (mtt180) cc_final: 0.7698 (mtt-85) REVERT: Q 123 GLU cc_start: 0.8584 (mm-30) cc_final: 0.8381 (mm-30) REVERT: Q 147 MET cc_start: 0.7438 (tmm) cc_final: 0.6957 (tmm) REVERT: Q 164 MET cc_start: 0.7072 (mtp) cc_final: 0.6058 (mtp) REVERT: Q 165 ASN cc_start: 0.7579 (t0) cc_final: 0.7080 (t0) REVERT: Q 178 THR cc_start: 0.7202 (m) cc_final: 0.6584 (m) REVERT: Q 180 VAL cc_start: 0.7871 (t) cc_final: 0.7151 (p) REVERT: Q 181 GLU cc_start: 0.7685 (mt-10) cc_final: 0.7028 (mt-10) REVERT: Q 195 ASN cc_start: 0.8123 (m-40) cc_final: 0.7045 (m-40) REVERT: Q 196 THR cc_start: 0.7838 (t) cc_final: 0.7274 (t) REVERT: Q 197 ASP cc_start: 0.6889 (m-30) cc_final: 0.6394 (m-30) REVERT: Q 198 GLU cc_start: 0.6297 (pt0) cc_final: 0.6037 (pt0) REVERT: Q 202 ILE cc_start: 0.6346 (mt) cc_final: 0.5932 (tp) REVERT: Q 204 ASN cc_start: 0.8209 (t0) cc_final: 0.8002 (t0) REVERT: Q 209 ASP cc_start: 0.7234 (t70) cc_final: 0.6698 (t70) REVERT: Q 216 LYS cc_start: 0.8480 (ptpt) cc_final: 0.8224 (ptpt) REVERT: Q 232 THR cc_start: 0.8540 (p) cc_final: 0.8228 (t) REVERT: Q 240 LEU cc_start: 0.8225 (pp) cc_final: 0.7980 (pp) REVERT: Q 257 MET cc_start: 0.7254 (mmm) cc_final: 0.6793 (mmm) REVERT: Q 262 ARG cc_start: 0.8204 (mtp85) cc_final: 0.7392 (mtp180) REVERT: Q 264 HIS cc_start: 0.7963 (p-80) cc_final: 0.7190 (p-80) REVERT: Q 273 LEU cc_start: 0.8298 (mp) cc_final: 0.7901 (mp) REVERT: Q 288 GLU cc_start: 0.7464 (tt0) cc_final: 0.6533 (tt0) REVERT: Q 289 LEU cc_start: 0.8107 (mt) cc_final: 0.7903 (mt) REVERT: Q 290 THR cc_start: 0.8185 (p) cc_final: 0.7008 (t) REVERT: Q 297 LYS cc_start: 0.8140 (mmmt) cc_final: 0.7504 (mmmt) REVERT: Q 299 MET cc_start: 0.7202 (mtp) cc_final: 0.6804 (mtp) REVERT: Q 300 MET cc_start: 0.7331 (mtm) cc_final: 0.7116 (mtm) REVERT: Q 309 ARG cc_start: 0.7168 (mtt-85) cc_final: 0.6430 (mtp180) REVERT: Q 321 MET cc_start: 0.8272 (ptp) cc_final: 0.7570 (ptp) REVERT: Q 323 MET cc_start: 0.8379 (mmp) cc_final: 0.7860 (mmp) REVERT: Q 330 MET cc_start: 0.8160 (mmp) cc_final: 0.7556 (mmp) REVERT: Q 331 LEU cc_start: 0.8704 (tp) cc_final: 0.8343 (tp) REVERT: Q 350 LYS cc_start: 0.7655 (tptp) cc_final: 0.6629 (tptp) REVERT: Q 354 CYS cc_start: 0.8254 (t) cc_final: 0.7878 (p) REVERT: Q 362 LYS cc_start: 0.7771 (mmmt) cc_final: 0.6985 (mmmt) REVERT: Q 363 MET cc_start: 0.7881 (mmm) cc_final: 0.7145 (mmm) REVERT: Q 367 PHE cc_start: 0.8267 (t80) cc_final: 0.7620 (t80) REVERT: Q 372 THR cc_start: 0.7617 (p) cc_final: 0.7136 (p) REVERT: Q 404 ASP cc_start: 0.8302 (t0) cc_final: 0.7941 (t0) REVERT: Q 406 MET cc_start: 0.8078 (tpp) cc_final: 0.7571 (tpp) REVERT: Q 407 GLU cc_start: 0.8072 (mt-10) cc_final: 0.7530 (mt-10) REVERT: Q 409 THR cc_start: 0.8631 (m) cc_final: 0.8150 (p) REVERT: Q 414 ASN cc_start: 0.8598 (m-40) cc_final: 0.8292 (m-40) REVERT: Q 415 MET cc_start: 0.7848 (tpt) cc_final: 0.7508 (tpt) REVERT: Q 421 GLU cc_start: 0.7862 (tt0) cc_final: 0.7598 (tt0) REVERT: Q 422 TYR cc_start: 0.7625 (m-80) cc_final: 0.7379 (m-80) REVERT: Y 12 MET cc_start: 0.6992 (mpp) cc_final: 0.6326 (mpp) REVERT: Y 32 LYS cc_start: 0.7716 (tppt) cc_final: 0.6950 (mmtp) REVERT: Y 58 GLN cc_start: 0.7142 (mm110) cc_final: 0.6691 (mm110) REVERT: Y 93 HIS cc_start: 0.7865 (t-90) cc_final: 0.6940 (t-90) REVERT: Y 101 ASP cc_start: 0.5568 (t70) cc_final: 0.4958 (t0) REVERT: Y 103 GLU cc_start: 0.7991 (tp30) cc_final: 0.7779 (tp30) REVERT: Y 147 ASP cc_start: 0.6924 (m-30) cc_final: 0.6261 (m-30) REVERT: Y 178 GLU cc_start: 0.7840 (mt-10) cc_final: 0.7235 (mt-10) REVERT: Y 220 GLU cc_start: 0.6032 (mm-30) cc_final: 0.5572 (mm-30) REVERT: Y 227 LEU cc_start: 0.7332 (tp) cc_final: 0.7048 (tp) REVERT: Y 274 TYR cc_start: 0.6387 (t80) cc_final: 0.6040 (t80) REVERT: Y 282 MET cc_start: 0.7857 (tpt) cc_final: 0.7387 (tpt) REVERT: A 11 GLN cc_start: 0.6988 (tt0) cc_final: 0.5322 (tm-30) REVERT: A 15 GLN cc_start: 0.7820 (mm-40) cc_final: 0.7352 (mt0) REVERT: A 16 MET cc_start: 0.8320 (mtm) cc_final: 0.7381 (mtm) REVERT: A 23 LEU cc_start: 0.8370 (tp) cc_final: 0.7174 (tp) REVERT: A 24 TYR cc_start: 0.7951 (m-80) cc_final: 0.7129 (m-80) REVERT: A 27 GLU cc_start: 0.7969 (mt-10) cc_final: 0.7597 (mt-10) REVERT: A 79 THR cc_start: 0.7498 (p) cc_final: 0.6942 (p) REVERT: A 93 PHE cc_start: 0.6934 (m-80) cc_final: 0.6199 (m-80) REVERT: A 96 GLU cc_start: 0.7753 (tt0) cc_final: 0.6945 (tt0) REVERT: A 97 GLN cc_start: 0.8269 (mt0) cc_final: 0.7635 (mt0) REVERT: A 121 ILE cc_start: 0.8636 (pt) cc_final: 0.8399 (pt) REVERT: A 129 ARG cc_start: 0.8106 (mmm160) cc_final: 0.7693 (mmm160) REVERT: A 160 MET cc_start: 0.8106 (tmm) cc_final: 0.7531 (tmm) REVERT: A 161 GLU cc_start: 0.8077 (tt0) cc_final: 0.7640 (tt0) REVERT: A 163 LEU cc_start: 0.8815 (pp) cc_final: 0.8277 (tt) REVERT: A 172 LYS cc_start: 0.7668 (mtmm) cc_final: 0.7419 (mtpt) REVERT: A 174 GLU cc_start: 0.7353 (mp0) cc_final: 0.6931 (mp0) REVERT: A 189 GLU cc_start: 0.8540 (pt0) cc_final: 0.7964 (pt0) REVERT: A 203 HIS cc_start: 0.8255 (m170) cc_final: 0.7356 (m90) REVERT: A 206 CYS cc_start: 0.7267 (p) cc_final: 0.6374 (p) REVERT: A 209 MET cc_start: 0.7068 (mmp) cc_final: 0.6777 (mmm) REVERT: A 218 ILE cc_start: 0.8596 (mm) cc_final: 0.8326 (mm) REVERT: A 232 ASN cc_start: 0.8437 (m110) cc_final: 0.8099 (m110) REVERT: A 235 ARG cc_start: 0.8710 (mtt-85) cc_final: 0.8092 (mtt-85) REVERT: A 308 MET cc_start: 0.7389 (mpp) cc_final: 0.6966 (mpp) REVERT: A 309 VAL cc_start: 0.8332 (p) cc_final: 0.8092 (m) REVERT: A 317 LYS cc_start: 0.7452 (mttm) cc_final: 0.7035 (mmtm) REVERT: A 329 VAL cc_start: 0.8479 (t) cc_final: 0.8041 (p) REVERT: A 333 ASP cc_start: 0.6998 (p0) cc_final: 0.6648 (p0) REVERT: A 345 ARG cc_start: 0.7691 (mmm160) cc_final: 0.7412 (mmp80) REVERT: A 347 ILE cc_start: 0.6951 (pt) cc_final: 0.6597 (pt) REVERT: A 363 TYR cc_start: 0.7739 (m-80) cc_final: 0.7396 (m-10) REVERT: A 396 ARG cc_start: 0.7984 (ttp-110) cc_final: 0.7462 (ttp-110) REVERT: A 397 LEU cc_start: 0.8898 (mt) cc_final: 0.8523 (mt) REVERT: A 400 LYS cc_start: 0.8371 (ptpt) cc_final: 0.7713 (ptpt) REVERT: A 401 PHE cc_start: 0.8490 (t80) cc_final: 0.7730 (t80) REVERT: A 402 ASP cc_start: 0.7899 (m-30) cc_final: 0.7685 (m-30) REVERT: A 404 MET cc_start: 0.8236 (mtm) cc_final: 0.7716 (mtm) REVERT: A 430 ASP cc_start: 0.8611 (t0) cc_final: 0.8233 (t0) REVERT: A 439 GLU cc_start: 0.7379 (pp20) cc_final: 0.7063 (pp20) REVERT: A 440 GLU cc_start: 0.7158 (mt-10) cc_final: 0.6629 (mt-10) REVERT: J 3 GLU cc_start: 0.6326 (mp0) cc_final: 0.5743 (mp0) REVERT: J 20 PHE cc_start: 0.8608 (t80) cc_final: 0.8310 (t80) REVERT: J 42 LEU cc_start: 0.8592 (mt) cc_final: 0.8311 (mp) REVERT: J 57 ASN cc_start: 0.7731 (m110) cc_final: 0.7504 (m110) REVERT: J 59 TYR cc_start: 0.7330 (m-80) cc_final: 0.7045 (m-80) REVERT: J 62 ARG cc_start: 0.7309 (ptp-110) cc_final: 0.7041 (ptp-110) REVERT: J 67 ASP cc_start: 0.6815 (t70) cc_final: 0.6081 (t70) REVERT: J 73 MET cc_start: 0.8453 (mmt) cc_final: 0.7686 (mmt) REVERT: J 74 ASP cc_start: 0.7908 (m-30) cc_final: 0.7464 (m-30) REVERT: J 90 PHE cc_start: 0.7917 (m-80) cc_final: 0.7493 (m-80) REVERT: J 100 ASN cc_start: 0.8775 (t0) cc_final: 0.8340 (t0) REVERT: J 106 TYR cc_start: 0.8462 (m-80) cc_final: 0.7411 (m-80) REVERT: J 108 GLU cc_start: 0.8117 (mm-30) cc_final: 0.6956 (tp30) REVERT: J 122 LYS cc_start: 0.8102 (ttpp) cc_final: 0.7634 (ttpp) REVERT: J 128 ASP cc_start: 0.7531 (p0) cc_final: 0.7242 (p0) REVERT: J 134 GLN cc_start: 0.6400 (tp40) cc_final: 0.5680 (tp40) REVERT: J 136 THR cc_start: 0.6824 (p) cc_final: 0.6314 (p) REVERT: J 143 THR cc_start: 0.7947 (t) cc_final: 0.7217 (t) REVERT: J 158 GLU cc_start: 0.7852 (tt0) cc_final: 0.7582 (tt0) REVERT: J 159 TYR cc_start: 0.8394 (m-10) cc_final: 0.7365 (m-10) REVERT: J 160 PRO cc_start: 0.8720 (Cg_endo) cc_final: 0.8350 (Cg_exo) REVERT: J 161 ASP cc_start: 0.7743 (p0) cc_final: 0.7419 (p0) REVERT: J 181 GLU cc_start: 0.7223 (mt-10) cc_final: 0.6580 (mt-10) REVERT: J 226 ASN cc_start: 0.8012 (m-40) cc_final: 0.7692 (m-40) REVERT: J 233 MET cc_start: 0.8291 (mmm) cc_final: 0.7870 (mmp) REVERT: J 247 ASN cc_start: 0.7045 (m110) cc_final: 0.6781 (m110) REVERT: J 250 LEU cc_start: 0.8325 (mt) cc_final: 0.7954 (tp) REVERT: J 251 ARG cc_start: 0.7915 (tpt-90) cc_final: 0.7258 (tpt-90) REVERT: J 257 MET cc_start: 0.7205 (mmm) cc_final: 0.6599 (mmm) REVERT: J 276 ARG cc_start: 0.7342 (tpm170) cc_final: 0.7019 (tpm170) REVERT: J 297 LYS cc_start: 0.7938 (mmmt) cc_final: 0.7260 (mmmt) REVERT: J 300 MET cc_start: 0.6117 (mpp) cc_final: 0.5805 (mpp) REVERT: J 323 MET cc_start: 0.7868 (mmp) cc_final: 0.7088 (mmp) REVERT: J 324 LYS cc_start: 0.8282 (ttpt) cc_final: 0.7552 (ttpt) REVERT: J 325 GLU cc_start: 0.7656 (pt0) cc_final: 0.7252 (pt0) REVERT: J 327 ASP cc_start: 0.8465 (m-30) cc_final: 0.7998 (m-30) REVERT: J 330 MET cc_start: 0.8190 (mmp) cc_final: 0.7859 (mmt) REVERT: J 367 PHE cc_start: 0.8029 (t80) cc_final: 0.7395 (t80) REVERT: J 389 PHE cc_start: 0.7891 (t80) cc_final: 0.7537 (t80) REVERT: J 390 ARG cc_start: 0.7879 (ptt90) cc_final: 0.7639 (ptt90) REVERT: J 391 ARG cc_start: 0.7098 (ttt180) cc_final: 0.6703 (ttt180) REVERT: J 392 LYS cc_start: 0.7657 (mtmm) cc_final: 0.7019 (mmtm) REVERT: J 395 LEU cc_start: 0.7867 (mt) cc_final: 0.7665 (mt) REVERT: J 404 ASP cc_start: 0.8349 (t0) cc_final: 0.7965 (t0) REVERT: J 407 GLU cc_start: 0.8202 (mt-10) cc_final: 0.7714 (mt-10) REVERT: J 410 GLU cc_start: 0.7974 (mt-10) cc_final: 0.7247 (mt-10) REVERT: J 413 SER cc_start: 0.7552 (t) cc_final: 0.7304 (m) REVERT: J 414 ASN cc_start: 0.8628 (m-40) cc_final: 0.8156 (m-40) REVERT: J 415 MET cc_start: 0.8248 (tpt) cc_final: 0.7453 (mmm) REVERT: J 421 GLU cc_start: 0.7810 (tt0) cc_final: 0.7354 (tt0) REVERT: J 423 GLN cc_start: 0.8660 (tp-100) cc_final: 0.8250 (tp-100) REVERT: S 18 LEU cc_start: 0.7473 (mt) cc_final: 0.7150 (mt) REVERT: S 32 LYS cc_start: 0.8155 (mmpt) cc_final: 0.7717 (mppt) REVERT: S 36 GLU cc_start: 0.7405 (mt-10) cc_final: 0.6785 (mt-10) REVERT: S 41 ILE cc_start: 0.6840 (mm) cc_final: 0.6439 (mm) REVERT: S 60 GLN cc_start: 0.7534 (tp40) cc_final: 0.7303 (tp-100) REVERT: S 82 PHE cc_start: 0.7573 (p90) cc_final: 0.7365 (p90) REVERT: S 103 GLU cc_start: 0.8244 (tp30) cc_final: 0.7495 (tp30) REVERT: S 114 ASP cc_start: 0.7968 (t0) cc_final: 0.7543 (p0) REVERT: S 117 ASN cc_start: 0.7180 (m110) cc_final: 0.6911 (m-40) REVERT: S 131 LYS cc_start: 0.7224 (mtmm) cc_final: 0.6575 (mtmm) REVERT: S 178 GLU cc_start: 0.8310 (mt-10) cc_final: 0.7545 (mt-10) REVERT: S 210 ILE cc_start: 0.7325 (mp) cc_final: 0.6830 (mp) REVERT: S 229 LEU cc_start: 0.7495 (mp) cc_final: 0.7218 (mp) REVERT: S 282 MET cc_start: 0.8473 (tpt) cc_final: 0.8221 (tpt) REVERT: S 307 TYR cc_start: 0.6616 (t80) cc_final: 0.5909 (t80) REVERT: S 310 SER cc_start: 0.8684 (t) cc_final: 0.8386 (m) REVERT: S 311 GLU cc_start: 0.8675 (pm20) cc_final: 0.8328 (pm20) REVERT: B 11 GLN cc_start: 0.7474 (tp-100) cc_final: 0.6013 (tm-30) REVERT: B 15 GLN cc_start: 0.8700 (mm-40) cc_final: 0.7928 (mm110) REVERT: B 24 TYR cc_start: 0.8179 (m-80) cc_final: 0.7276 (m-80) REVERT: B 31 GLN cc_start: 0.8217 (mt0) cc_final: 0.7797 (mp10) REVERT: B 75 ASP cc_start: 0.6935 (t0) cc_final: 0.6301 (t0) REVERT: B 84 ILE cc_start: 0.8657 (mm) cc_final: 0.8317 (mt) REVERT: B 96 GLU cc_start: 0.7252 (tt0) cc_final: 0.6864 (tt0) REVERT: B 107 ASN cc_start: 0.7895 (m110) cc_final: 0.7681 (m110) REVERT: B 116 ILE cc_start: 0.8018 (mm) cc_final: 0.7814 (mm) REVERT: B 120 ILE cc_start: 0.8550 (tp) cc_final: 0.8215 (mm) REVERT: B 134 GLN cc_start: 0.7043 (pp30) cc_final: 0.6761 (tm-30) REVERT: B 139 GLN cc_start: 0.7071 (mp10) cc_final: 0.6701 (mp10) REVERT: B 158 LEU cc_start: 0.8323 (tp) cc_final: 0.8067 (tp) REVERT: B 170 LYS cc_start: 0.8241 (mmtp) cc_final: 0.7912 (mmtp) REVERT: B 178 TYR cc_start: 0.4807 (m-10) cc_final: 0.4224 (m-10) REVERT: B 189 GLU cc_start: 0.7645 (pm20) cc_final: 0.7126 (pm20) REVERT: B 192 ASN cc_start: 0.8260 (m110) cc_final: 0.7925 (m110) REVERT: B 203 HIS cc_start: 0.7227 (m-70) cc_final: 0.6445 (m-70) REVERT: B 209 MET cc_start: 0.6951 (mmp) cc_final: 0.6515 (mmp) REVERT: B 217 ASP cc_start: 0.7665 (t70) cc_final: 0.7364 (t70) REVERT: B 218 ILE cc_start: 0.8518 (mp) cc_final: 0.8108 (mp) REVERT: B 222 ASN cc_start: 0.8083 (m-40) cc_final: 0.7861 (m-40) REVERT: B 230 TYR cc_start: 0.7890 (m-10) cc_final: 0.7578 (m-80) REVERT: B 232 ASN cc_start: 0.8463 (m-40) cc_final: 0.8161 (m-40) REVERT: B 265 LEU cc_start: 0.8278 (mm) cc_final: 0.7958 (mm) REVERT: B 268 TYR cc_start: 0.8644 (m-80) cc_final: 0.8363 (m-80) REVERT: B 277 THR cc_start: 0.7015 (t) cc_final: 0.6249 (p) REVERT: B 282 ILE cc_start: 0.7710 (tp) cc_final: 0.7355 (tp) REVERT: B 286 LYS cc_start: 0.7854 (ttmt) cc_final: 0.7575 (ttmt) REVERT: B 299 ASN cc_start: 0.7968 (m110) cc_final: 0.7735 (m110) REVERT: B 308 MET cc_start: 0.7929 (mmt) cc_final: 0.7602 (mmp) REVERT: B 318 TYR cc_start: 0.8136 (m-10) cc_final: 0.7716 (m-10) REVERT: B 319 MET cc_start: 0.7500 (mmm) cc_final: 0.6331 (mmm) REVERT: B 322 CYS cc_start: 0.7455 (t) cc_final: 0.6793 (t) REVERT: B 338 ILE cc_start: 0.8430 (pt) cc_final: 0.8141 (pt) REVERT: B 344 LYS cc_start: 0.6875 (ttmm) cc_final: 0.6475 (ttmm) REVERT: B 355 THR cc_start: 0.7442 (t) cc_final: 0.7032 (t) REVERT: B 358 LYS cc_start: 0.7437 (tmtt) cc_final: 0.7080 (tmtt) REVERT: B 378 GLN cc_start: 0.7773 (mm110) cc_final: 0.7473 (mm-40) REVERT: B 386 ASN cc_start: 0.7219 (t0) cc_final: 0.6677 (t0) REVERT: B 400 LYS cc_start: 0.7920 (ptpp) cc_final: 0.7484 (pttm) REVERT: B 404 MET cc_start: 0.8071 (mtm) cc_final: 0.7305 (mmm) REVERT: B 410 PHE cc_start: 0.8287 (m-80) cc_final: 0.7702 (m-10) REVERT: B 412 HIS cc_start: 0.7867 (p90) cc_final: 0.6979 (p-80) REVERT: B 413 TRP cc_start: 0.8118 (m100) cc_final: 0.7438 (m100) REVERT: B 426 GLU cc_start: 0.8261 (mm-30) cc_final: 0.7882 (mm-30) REVERT: B 430 ASP cc_start: 0.8601 (t0) cc_final: 0.8388 (t0) REVERT: B 440 GLU cc_start: 0.7441 (mt-10) cc_final: 0.6879 (mt-10) REVERT: K 11 GLN cc_start: 0.7617 (mt0) cc_final: 0.7403 (mt0) REVERT: K 21 TRP cc_start: 0.8427 (m100) cc_final: 0.7669 (m100) REVERT: K 22 GLU cc_start: 0.8342 (mt-10) cc_final: 0.8115 (mt-10) REVERT: K 27 GLU cc_start: 0.8156 (mt-10) cc_final: 0.7661 (mt-10) REVERT: K 45 GLU cc_start: 0.8237 (tt0) cc_final: 0.7116 (tt0) REVERT: K 46 ARG cc_start: 0.8347 (mmp80) cc_final: 0.7852 (mmp80) REVERT: K 67 ASP cc_start: 0.7002 (t70) cc_final: 0.6159 (t70) REVERT: K 73 MET cc_start: 0.8034 (mmt) cc_final: 0.7523 (mmt) REVERT: K 108 GLU cc_start: 0.7903 (mm-30) cc_final: 0.7531 (mm-30) REVERT: K 123 GLU cc_start: 0.9126 (mm-30) cc_final: 0.8618 (mm-30) REVERT: K 133 PHE cc_start: 0.7206 (m-80) cc_final: 0.6965 (m-80) REVERT: K 147 MET cc_start: 0.7175 (tmm) cc_final: 0.6496 (tmm) REVERT: K 150 LEU cc_start: 0.8089 (tp) cc_final: 0.7577 (tp) REVERT: K 154 LYS cc_start: 0.8000 (mmmt) cc_final: 0.7224 (mmmt) REVERT: K 155 ILE cc_start: 0.8781 (pt) cc_final: 0.8523 (mt) REVERT: K 164 MET cc_start: 0.6431 (mtp) cc_final: 0.5438 (mtp) REVERT: K 165 ASN cc_start: 0.7126 (t0) cc_final: 0.6127 (t0) REVERT: K 181 GLU cc_start: 0.7910 (mt-10) cc_final: 0.7414 (mt-10) REVERT: K 183 TYR cc_start: 0.7771 (m-10) cc_final: 0.7208 (m-10) REVERT: K 187 LEU cc_start: 0.8272 (mt) cc_final: 0.7941 (mt) REVERT: K 194 GLU cc_start: 0.8293 (mm-30) cc_final: 0.7872 (mm-30) REVERT: K 195 ASN cc_start: 0.7639 (m-40) cc_final: 0.6736 (m-40) REVERT: K 198 GLU cc_start: 0.7231 (pt0) cc_final: 0.6821 (pt0) REVERT: K 207 LEU cc_start: 0.8602 (mt) cc_final: 0.8099 (mt) REVERT: K 216 LYS cc_start: 0.8427 (pttp) cc_final: 0.8181 (pttp) REVERT: K 233 MET cc_start: 0.8685 (mtp) cc_final: 0.8411 (mtp) REVERT: K 242 PHE cc_start: 0.8376 (m-80) cc_final: 0.8129 (m-80) REVERT: K 247 ASN cc_start: 0.7500 (m110) cc_final: 0.7145 (m110) REVERT: K 251 ARG cc_start: 0.7512 (mtp85) cc_final: 0.6915 (mtp85) REVERT: K 260 PHE cc_start: 0.7940 (m-80) cc_final: 0.7609 (m-80) REVERT: K 262 ARG cc_start: 0.7454 (mtp85) cc_final: 0.7032 (mtp85) REVERT: K 266 PHE cc_start: 0.6851 (m-10) cc_final: 0.6454 (m-10) REVERT: K 274 THR cc_start: 0.8184 (p) cc_final: 0.7649 (t) REVERT: K 290 THR cc_start: 0.8334 (m) cc_final: 0.7796 (t) REVERT: K 298 ASN cc_start: 0.7939 (t0) cc_final: 0.7717 (t0) REVERT: K 317 PHE cc_start: 0.8067 (m-80) cc_final: 0.7757 (m-10) REVERT: K 320 ARG cc_start: 0.7122 (mmm160) cc_final: 0.6526 (mmm160) REVERT: K 323 MET cc_start: 0.8347 (mmp) cc_final: 0.7999 (mmp) REVERT: K 326 VAL cc_start: 0.8567 (t) cc_final: 0.7651 (t) REVERT: K 327 ASP cc_start: 0.8412 (m-30) cc_final: 0.7584 (p0) REVERT: K 330 MET cc_start: 0.8291 (mmp) cc_final: 0.7870 (mmp) REVERT: K 331 LEU cc_start: 0.8467 (tp) cc_final: 0.8253 (tp) REVERT: K 362 LYS cc_start: 0.7461 (mmmt) cc_final: 0.6895 (mmmt) REVERT: K 363 MET cc_start: 0.7840 (mmm) cc_final: 0.7222 (mmm) REVERT: K 383 GLU cc_start: 0.8179 (mm-30) cc_final: 0.7558 (mm-30) REVERT: K 385 PHE cc_start: 0.8032 (t80) cc_final: 0.7649 (t80) REVERT: K 389 PHE cc_start: 0.8305 (t80) cc_final: 0.7900 (t80) REVERT: K 403 MET cc_start: 0.5619 (ttt) cc_final: 0.5046 (ttt) REVERT: K 404 ASP cc_start: 0.7766 (t0) cc_final: 0.6435 (p0) REVERT: K 407 GLU cc_start: 0.8287 (mt-10) cc_final: 0.7216 (mt-10) REVERT: K 408 PHE cc_start: 0.8481 (m-80) cc_final: 0.7507 (m-80) REVERT: K 415 MET cc_start: 0.8074 (tpt) cc_final: 0.7852 (tpt) REVERT: K 421 GLU cc_start: 0.7849 (tt0) cc_final: 0.7149 (tt0) REVERT: K 422 TYR cc_start: 0.7577 (m-80) cc_final: 0.7184 (m-80) REVERT: T 41 ILE cc_start: 0.6419 (mm) cc_final: 0.6014 (mm) REVERT: T 46 TYR cc_start: 0.5644 (m-80) cc_final: 0.4562 (m-80) REVERT: T 95 MET cc_start: 0.7092 (mtt) cc_final: 0.6814 (mtt) REVERT: T 180 MET cc_start: 0.7524 (tmm) cc_final: 0.7097 (tmm) REVERT: T 228 TYR cc_start: 0.6018 (m-80) cc_final: 0.5151 (m-80) REVERT: T 256 LYS cc_start: 0.7768 (mmmt) cc_final: 0.7273 (mmmt) REVERT: T 313 LYS cc_start: 0.7742 (mtmt) cc_final: 0.7507 (tppt) REVERT: T 318 PHE cc_start: 0.8226 (t80) cc_final: 0.7801 (t80) REVERT: T 321 ARG cc_start: 0.7692 (mtm180) cc_final: 0.7179 (mtm180) REVERT: C 11 GLN cc_start: 0.7519 (tp-100) cc_final: 0.6968 (tp-100) REVERT: C 15 GLN cc_start: 0.8248 (mm-40) cc_final: 0.7997 (mm-40) REVERT: C 21 TRP cc_start: 0.8318 (m100) cc_final: 0.7311 (m100) REVERT: C 23 LEU cc_start: 0.8498 (tp) cc_final: 0.8178 (tp) REVERT: C 31 GLN cc_start: 0.8017 (mt0) cc_final: 0.7537 (mt0) REVERT: C 77 GLU cc_start: 0.6503 (pp20) cc_final: 0.6292 (pp20) REVERT: C 96 GLU cc_start: 0.7281 (tt0) cc_final: 0.6816 (tt0) REVERT: C 108 ASN cc_start: 0.7074 (t0) cc_final: 0.6455 (t0) REVERT: C 134 GLN cc_start: 0.7390 (tm-30) cc_final: 0.7158 (tm-30) REVERT: C 138 LEU cc_start: 0.6587 (tp) cc_final: 0.6371 (tp) REVERT: C 158 LEU cc_start: 0.8451 (tp) cc_final: 0.8160 (tp) REVERT: C 160 MET cc_start: 0.7951 (tmm) cc_final: 0.7622 (tmm) REVERT: C 189 GLU cc_start: 0.8115 (pm20) cc_final: 0.7418 (pm20) REVERT: C 206 CYS cc_start: 0.7099 (p) cc_final: 0.6805 (p) REVERT: C 222 ASN cc_start: 0.8436 (m-40) cc_final: 0.7974 (m-40) REVERT: C 230 TYR cc_start: 0.7684 (m-10) cc_final: 0.7144 (m-80) REVERT: C 232 ASN cc_start: 0.8267 (m-40) cc_final: 0.7847 (m-40) REVERT: C 250 PHE cc_start: 0.7028 (m-80) cc_final: 0.6722 (m-80) REVERT: C 265 LEU cc_start: 0.8297 (mm) cc_final: 0.7804 (mm) REVERT: C 271 ILE cc_start: 0.8239 (tp) cc_final: 0.7968 (tp) REVERT: C 277 THR cc_start: 0.7598 (t) cc_final: 0.6648 (p) REVERT: C 282 ILE cc_start: 0.7376 (tp) cc_final: 0.7165 (tp) REVERT: C 286 LYS cc_start: 0.8157 (mtpt) cc_final: 0.7795 (mtpt) REVERT: C 290 GLU cc_start: 0.6505 (tm-30) cc_final: 0.5647 (tm-30) REVERT: C 308 MET cc_start: 0.7807 (mpp) cc_final: 0.7204 (mpp) REVERT: C 312 ASP cc_start: 0.7683 (t0) cc_final: 0.7126 (t0) REVERT: C 319 MET cc_start: 0.7646 (ttt) cc_final: 0.6795 (ttt) REVERT: C 349 PHE cc_start: 0.7973 (m-80) cc_final: 0.7556 (m-10) REVERT: C 379 ARG cc_start: 0.8012 (ptp90) cc_final: 0.7758 (mtm180) REVERT: C 386 ASN cc_start: 0.7516 (t0) cc_final: 0.5654 (t0) REVERT: C 400 LYS cc_start: 0.7863 (ptpt) cc_final: 0.7492 (pttm) REVERT: C 402 ASP cc_start: 0.7905 (m-30) cc_final: 0.7650 (m-30) REVERT: C 404 MET cc_start: 0.8173 (mtm) cc_final: 0.7252 (mtm) REVERT: C 410 PHE cc_start: 0.7816 (m-80) cc_final: 0.7263 (m-80) REVERT: C 414 TYR cc_start: 0.8643 (m-80) cc_final: 0.8366 (m-80) REVERT: C 426 GLU cc_start: 0.8283 (mm-30) cc_final: 0.7853 (mm-30) REVERT: C 431 MET cc_start: 0.8564 (mmm) cc_final: 0.7968 (mmm) REVERT: C 440 GLU cc_start: 0.7217 (mt-10) cc_final: 0.6802 (mt-10) REVERT: L 20 PHE cc_start: 0.8614 (t80) cc_final: 0.8108 (t80) REVERT: L 21 TRP cc_start: 0.8511 (m100) cc_final: 0.8037 (m100) REVERT: L 22 GLU cc_start: 0.8356 (mt-10) cc_final: 0.8028 (tm-30) REVERT: L 27 GLU cc_start: 0.8237 (mt-10) cc_final: 0.7814 (mt-10) REVERT: L 62 ARG cc_start: 0.7254 (ttm110) cc_final: 0.6348 (ttm110) REVERT: L 69 GLU cc_start: 0.6184 (tm-30) cc_final: 0.5943 (tm-30) REVERT: L 73 MET cc_start: 0.8084 (mmt) cc_final: 0.7405 (mmt) REVERT: L 91 VAL cc_start: 0.8041 (p) cc_final: 0.7758 (m) REVERT: L 92 PHE cc_start: 0.8444 (p90) cc_final: 0.7964 (p90) REVERT: L 117 LEU cc_start: 0.8335 (mp) cc_final: 0.8115 (mp) REVERT: L 134 GLN cc_start: 0.6666 (tp-100) cc_final: 0.6331 (tp-100) REVERT: L 136 THR cc_start: 0.6831 (p) cc_final: 0.6589 (p) REVERT: L 147 MET cc_start: 0.7383 (tmm) cc_final: 0.6865 (tmm) REVERT: L 150 LEU cc_start: 0.8206 (tp) cc_final: 0.7867 (tp) REVERT: L 154 LYS cc_start: 0.8642 (mmtt) cc_final: 0.7834 (mmtt) REVERT: L 157 GLU cc_start: 0.8353 (mt-10) cc_final: 0.7969 (mt-10) REVERT: L 162 ARG cc_start: 0.7299 (mmt180) cc_final: 0.7004 (mmt-90) REVERT: L 181 GLU cc_start: 0.7325 (mt-10) cc_final: 0.6839 (mt-10) REVERT: L 187 LEU cc_start: 0.8243 (mt) cc_final: 0.7983 (mt) REVERT: L 198 GLU cc_start: 0.7432 (pt0) cc_final: 0.6936 (pt0) REVERT: L 200 TYR cc_start: 0.7682 (m-80) cc_final: 0.7051 (m-80) REVERT: L 207 LEU cc_start: 0.8665 (mt) cc_final: 0.8396 (mt) REVERT: L 227 HIS cc_start: 0.7614 (m90) cc_final: 0.7224 (m90) REVERT: L 233 MET cc_start: 0.8745 (mtp) cc_final: 0.8353 (mtp) REVERT: L 241 ARG cc_start: 0.7552 (mtm110) cc_final: 0.6781 (ttm110) REVERT: L 242 PHE cc_start: 0.8170 (m-80) cc_final: 0.7861 (m-80) REVERT: L 253 LEU cc_start: 0.8619 (mp) cc_final: 0.8325 (mp) REVERT: L 257 MET cc_start: 0.7488 (mmm) cc_final: 0.7125 (mmm) REVERT: L 260 PHE cc_start: 0.8050 (m-80) cc_final: 0.7719 (m-80) REVERT: L 270 PHE cc_start: 0.7370 (t80) cc_final: 0.7069 (t80) REVERT: L 286 VAL cc_start: 0.8701 (m) cc_final: 0.8381 (p) REVERT: L 289 LEU cc_start: 0.8996 (mt) cc_final: 0.8053 (mt) REVERT: L 292 GLN cc_start: 0.8178 (tt0) cc_final: 0.7825 (tt0) REVERT: L 293 MET cc_start: 0.7475 (mmm) cc_final: 0.6728 (mmm) REVERT: L 297 LYS cc_start: 0.8527 (mmmt) cc_final: 0.8277 (tmmt) REVERT: L 318 ARG cc_start: 0.5747 (ttp-110) cc_final: 0.4848 (mtp85) REVERT: L 323 MET cc_start: 0.7597 (mmp) cc_final: 0.6617 (mmp) REVERT: L 324 LYS cc_start: 0.7771 (ttpt) cc_final: 0.7277 (ttpt) REVERT: L 327 ASP cc_start: 0.8449 (m-30) cc_final: 0.8141 (m-30) REVERT: L 341 PHE cc_start: 0.7145 (m-80) cc_final: 0.6839 (m-80) REVERT: L 347 ASN cc_start: 0.6517 (t0) cc_final: 0.5739 (t0) REVERT: L 353 VAL cc_start: 0.8232 (m) cc_final: 0.7907 (p) REVERT: L 362 LYS cc_start: 0.7283 (mmmt) cc_final: 0.6512 (mmmt) REVERT: L 363 MET cc_start: 0.8183 (tpt) cc_final: 0.7904 (mmm) REVERT: L 386 THR cc_start: 0.8584 (p) cc_final: 0.8352 (p) REVERT: L 389 PHE cc_start: 0.8555 (t80) cc_final: 0.8305 (t80) REVERT: L 390 ARG cc_start: 0.7820 (ptt90) cc_final: 0.7078 (ptt90) REVERT: L 396 HIS cc_start: 0.6929 (p-80) cc_final: 0.6726 (p-80) REVERT: L 398 TYR cc_start: 0.6786 (m-80) cc_final: 0.5915 (m-80) REVERT: L 403 MET cc_start: 0.6611 (ttt) cc_final: 0.5667 (ttt) REVERT: L 407 GLU cc_start: 0.8198 (mt-10) cc_final: 0.7688 (mt-10) REVERT: L 408 PHE cc_start: 0.8023 (m-80) cc_final: 0.6811 (m-80) REVERT: L 415 MET cc_start: 0.8106 (tpt) cc_final: 0.7844 (tpt) REVERT: L 422 TYR cc_start: 0.7617 (m-80) cc_final: 0.7014 (m-80) REVERT: U 22 GLU cc_start: 0.6392 (mt-10) cc_final: 0.5877 (mt-10) REVERT: U 41 ILE cc_start: 0.6924 (mm) cc_final: 0.6596 (mm) REVERT: U 46 TYR cc_start: 0.5493 (m-80) cc_final: 0.4450 (m-80) REVERT: U 74 LEU cc_start: 0.7441 (mt) cc_final: 0.7227 (mt) REVERT: U 95 MET cc_start: 0.8217 (mmm) cc_final: 0.7928 (mmm) REVERT: U 228 TYR cc_start: 0.5633 (m-80) cc_final: 0.4881 (m-80) REVERT: U 256 LYS cc_start: 0.7575 (mmmt) cc_final: 0.7120 (mmmt) REVERT: U 307 TYR cc_start: 0.7915 (t80) cc_final: 0.7084 (t80) REVERT: U 313 LYS cc_start: 0.7554 (ttmt) cc_final: 0.7187 (tppt) REVERT: U 321 ARG cc_start: 0.7464 (mtm180) cc_final: 0.6955 (mtm180) REVERT: D 11 GLN cc_start: 0.6604 (tp-100) cc_final: 0.6034 (tm-30) REVERT: D 16 MET cc_start: 0.8235 (mtm) cc_final: 0.7241 (mtm) REVERT: D 31 GLN cc_start: 0.7751 (mt0) cc_final: 0.7072 (mt0) REVERT: D 72 VAL cc_start: 0.7554 (m) cc_final: 0.7180 (p) REVERT: D 92 LEU cc_start: 0.7902 (mt) cc_final: 0.7568 (mt) REVERT: D 93 PHE cc_start: 0.7130 (m-80) cc_final: 0.6788 (m-80) REVERT: D 97 GLN cc_start: 0.8130 (mp10) cc_final: 0.7917 (mp10) REVERT: D 119 GLU cc_start: 0.8110 (pp20) cc_final: 0.7804 (pp20) REVERT: D 127 ARG cc_start: 0.8128 (mmm160) cc_final: 0.7866 (mmm160) REVERT: D 160 MET cc_start: 0.7854 (tmm) cc_final: 0.7441 (tmm) REVERT: D 192 ASN cc_start: 0.8539 (m110) cc_final: 0.8275 (m110) REVERT: D 205 ASP cc_start: 0.6922 (m-30) cc_final: 0.6573 (m-30) REVERT: D 220 ARG cc_start: 0.7330 (ttt-90) cc_final: 0.6988 (mmm-85) REVERT: D 221 ARG cc_start: 0.7685 (ttm110) cc_final: 0.7295 (ttm110) REVERT: D 222 ASN cc_start: 0.8597 (m-40) cc_final: 0.8045 (m-40) REVERT: D 223 LEU cc_start: 0.7868 (tp) cc_final: 0.7645 (tp) REVERT: D 232 ASN cc_start: 0.8451 (m-40) cc_final: 0.8112 (m-40) REVERT: D 257 ASP cc_start: 0.7211 (p0) cc_final: 0.6255 (p0) REVERT: D 277 THR cc_start: 0.8060 (t) cc_final: 0.7440 (p) REVERT: D 286 LYS cc_start: 0.8174 (ttmt) cc_final: 0.7900 (ttpp) REVERT: D 308 MET cc_start: 0.7610 (mmt) cc_final: 0.6509 (mmt) REVERT: D 310 LYS cc_start: 0.8194 (mmmt) cc_final: 0.7939 (mmmt) REVERT: D 311 CYS cc_start: 0.8302 (m) cc_final: 0.7981 (m) REVERT: D 312 ASP cc_start: 0.7495 (t0) cc_final: 0.6673 (t0) REVERT: D 315 HIS cc_start: 0.7576 (m170) cc_final: 0.7367 (m170) REVERT: D 319 MET cc_start: 0.7042 (mmm) cc_final: 0.6724 (mmm) REVERT: D 344 LYS cc_start: 0.8067 (ttmm) cc_final: 0.7811 (ttmm) REVERT: D 376 LYS cc_start: 0.8254 (tmtt) cc_final: 0.7993 (tptp) REVERT: D 378 GLN cc_start: 0.8077 (mm110) cc_final: 0.7050 (mm-40) REVERT: D 379 ARG cc_start: 0.8383 (ptp90) cc_final: 0.7868 (mtm180) REVERT: D 382 CYS cc_start: 0.7251 (p) cc_final: 0.6929 (p) REVERT: D 383 MET cc_start: 0.6807 (ttp) cc_final: 0.6437 (ttp) REVERT: D 386 ASN cc_start: 0.7438 (t0) cc_final: 0.7171 (t0) REVERT: D 392 GLU cc_start: 0.7169 (pt0) cc_final: 0.6920 (pt0) REVERT: D 400 LYS cc_start: 0.8634 (ptpt) cc_final: 0.7720 (ptpp) REVERT: D 401 PHE cc_start: 0.8489 (t80) cc_final: 0.7829 (t80) REVERT: D 404 MET cc_start: 0.8470 (mtm) cc_final: 0.7639 (mmm) REVERT: D 410 PHE cc_start: 0.7897 (m-80) cc_final: 0.7211 (m-80) REVERT: D 423 GLU cc_start: 0.8158 (pm20) cc_final: 0.7783 (pm20) REVERT: D 431 MET cc_start: 0.6989 (tpt) cc_final: 0.6414 (tpt) REVERT: D 437 ASP cc_start: 0.7665 (m-30) cc_final: 0.7021 (m-30) REVERT: D 440 GLU cc_start: 0.7790 (mt-10) cc_final: 0.7469 (mt-10) REVERT: D 443 ILE cc_start: 0.6818 (mt) cc_final: 0.6465 (mt) REVERT: M 11 GLN cc_start: 0.7372 (tt0) cc_final: 0.6229 (tp40) REVERT: M 24 ILE cc_start: 0.8407 (pt) cc_final: 0.7876 (pt) REVERT: M 27 GLU cc_start: 0.8545 (mt-10) cc_final: 0.7881 (mt-10) REVERT: M 31 ASP cc_start: 0.7771 (t0) cc_final: 0.7421 (t0) REVERT: M 47 ILE cc_start: 0.8456 (tt) cc_final: 0.8154 (tt) REVERT: M 73 MET cc_start: 0.8375 (mmt) cc_final: 0.7469 (mmt) REVERT: M 117 LEU cc_start: 0.8173 (mp) cc_final: 0.7915 (mp) REVERT: M 120 VAL cc_start: 0.8918 (m) cc_final: 0.8661 (t) REVERT: M 136 THR cc_start: 0.7132 (m) cc_final: 0.6757 (t) REVERT: M 151 LEU cc_start: 0.8326 (pp) cc_final: 0.7831 (tt) REVERT: M 164 MET cc_start: 0.7106 (mtp) cc_final: 0.5958 (mtp) REVERT: M 191 GLN cc_start: 0.8070 (mm-40) cc_final: 0.7045 (mt0) REVERT: M 195 ASN cc_start: 0.8309 (m-40) cc_final: 0.6812 (m110) REVERT: M 198 GLU cc_start: 0.6613 (pt0) cc_final: 0.5642 (pt0) REVERT: M 202 ILE cc_start: 0.6628 (mt) cc_final: 0.6110 (mt) REVERT: M 215 LEU cc_start: 0.8620 (tp) cc_final: 0.8049 (tp) REVERT: M 217 LEU cc_start: 0.8664 (mt) cc_final: 0.8219 (mt) REVERT: M 233 MET cc_start: 0.8249 (mtp) cc_final: 0.7903 (mtp) REVERT: M 257 MET cc_start: 0.8099 (mmm) cc_final: 0.7270 (mmm) REVERT: M 262 ARG cc_start: 0.8025 (mmm-85) cc_final: 0.7652 (mmm160) REVERT: M 264 HIS cc_start: 0.7878 (p-80) cc_final: 0.7381 (p-80) REVERT: M 267 MET cc_start: 0.7639 (mtp) cc_final: 0.7162 (mtp) REVERT: M 270 PHE cc_start: 0.7948 (t80) cc_final: 0.7633 (t80) REVERT: M 274 THR cc_start: 0.8057 (p) cc_final: 0.7783 (p) REVERT: M 276 ARG cc_start: 0.7917 (tmt170) cc_final: 0.7494 (tmt170) REVERT: M 290 THR cc_start: 0.8432 (m) cc_final: 0.7814 (p) REVERT: M 292 GLN cc_start: 0.8659 (tt0) cc_final: 0.8207 (tt0) REVERT: M 294 PHE cc_start: 0.7472 (m-80) cc_final: 0.7111 (m-80) REVERT: M 297 LYS cc_start: 0.8407 (mmmt) cc_final: 0.7709 (mmmt) REVERT: M 298 ASN cc_start: 0.8523 (t0) cc_final: 0.8079 (t0) REVERT: M 300 MET cc_start: 0.6422 (mpp) cc_final: 0.5947 (mpp) REVERT: M 323 MET cc_start: 0.7756 (mmp) cc_final: 0.7206 (mmp) REVERT: M 324 LYS cc_start: 0.7991 (ttpt) cc_final: 0.7727 (ttpt) REVERT: M 327 ASP cc_start: 0.8388 (m-30) cc_final: 0.7979 (m-30) REVERT: M 330 MET cc_start: 0.8383 (mmp) cc_final: 0.8066 (mmp) REVERT: M 345 ILE cc_start: 0.8528 (tp) cc_final: 0.8064 (tp) REVERT: M 359 ARG cc_start: 0.6938 (ttm-80) cc_final: 0.6488 (ttm-80) REVERT: M 362 LYS cc_start: 0.7852 (mmmt) cc_final: 0.7309 (mmmt) REVERT: M 375 GLN cc_start: 0.7618 (pt0) cc_final: 0.7299 (pt0) REVERT: M 379 LYS cc_start: 0.8196 (mmtm) cc_final: 0.7413 (mmtm) REVERT: M 392 LYS cc_start: 0.8175 (mtmm) cc_final: 0.7714 (mtmm) REVERT: M 395 LEU cc_start: 0.8691 (mt) cc_final: 0.8311 (mt) REVERT: M 397 TRP cc_start: 0.7177 (m100) cc_final: 0.6918 (m100) REVERT: M 410 GLU cc_start: 0.7674 (mt-10) cc_final: 0.7094 (mm-30) REVERT: M 415 MET cc_start: 0.7891 (tpt) cc_final: 0.7459 (tpt) REVERT: M 421 GLU cc_start: 0.7957 (tt0) cc_final: 0.7542 (tt0) REVERT: M 424 GLN cc_start: 0.7655 (tm130) cc_final: 0.7382 (tm-30) REVERT: V 22 GLU cc_start: 0.7677 (mt-10) cc_final: 0.7386 (mt-10) REVERT: V 28 LYS cc_start: 0.7027 (mmmm) cc_final: 0.6583 (mmmm) REVERT: V 32 LYS cc_start: 0.7809 (tppp) cc_final: 0.7184 (mmtp) REVERT: V 37 ASP cc_start: 0.6407 (p0) cc_final: 0.6064 (p0) REVERT: V 46 TYR cc_start: 0.6523 (m-80) cc_final: 0.6303 (m-80) REVERT: V 59 GLU cc_start: 0.7212 (mp0) cc_final: 0.6948 (mp0) REVERT: V 95 MET cc_start: 0.7179 (mtt) cc_final: 0.6961 (mtt) REVERT: V 103 GLU cc_start: 0.7455 (tp30) cc_final: 0.6889 (tp30) REVERT: V 110 ARG cc_start: 0.6204 (mpt-90) cc_final: 0.5930 (mtt90) REVERT: V 129 HIS cc_start: 0.5353 (m-70) cc_final: 0.5088 (m-70) REVERT: V 180 MET cc_start: 0.7711 (mpp) cc_final: 0.7479 (mmt) REVERT: V 220 GLU cc_start: 0.6053 (mm-30) cc_final: 0.5669 (mm-30) REVERT: V 256 LYS cc_start: 0.7532 (mmmt) cc_final: 0.7212 (mmmt) REVERT: V 278 ARG cc_start: 0.6693 (mtt180) cc_final: 0.6298 (mtt180) REVERT: V 284 ARG cc_start: 0.8188 (mtp85) cc_final: 0.7584 (mtp85) REVERT: V 311 GLU cc_start: 0.7942 (pm20) cc_final: 0.7688 (pm20) REVERT: E 11 GLN cc_start: 0.7321 (tt0) cc_final: 0.5870 (tm-30) REVERT: E 16 MET cc_start: 0.8300 (mtm) cc_final: 0.7255 (mtm) REVERT: E 18 ASN cc_start: 0.7894 (t0) cc_final: 0.7314 (t0) REVERT: E 22 GLU cc_start: 0.7723 (pt0) cc_final: 0.6984 (pt0) REVERT: E 23 LEU cc_start: 0.8441 (tp) cc_final: 0.7408 (tp) REVERT: E 27 GLU cc_start: 0.7718 (mt-10) cc_final: 0.7289 (mt-10) REVERT: E 31 GLN cc_start: 0.7630 (mt0) cc_final: 0.7303 (mt0) REVERT: E 97 GLN cc_start: 0.8125 (mp10) cc_final: 0.7788 (mp10) REVERT: E 104 ASP cc_start: 0.5497 (t0) cc_final: 0.5034 (t0) REVERT: E 107 ASN cc_start: 0.7315 (t0) cc_final: 0.6897 (t0) REVERT: E 125 LEU cc_start: 0.7961 (mm) cc_final: 0.7758 (mm) REVERT: E 160 MET cc_start: 0.7792 (tmm) cc_final: 0.7456 (tmm) REVERT: E 161 GLU cc_start: 0.7970 (tt0) cc_final: 0.7396 (tt0) REVERT: E 163 LEU cc_start: 0.8658 (pp) cc_final: 0.8061 (tt) REVERT: E 169 LYS cc_start: 0.8238 (pptt) cc_final: 0.7815 (ttpp) REVERT: E 170 LYS cc_start: 0.8471 (mttm) cc_final: 0.7896 (mppt) REVERT: E 174 GLU cc_start: 0.7172 (mp0) cc_final: 0.6935 (mp0) REVERT: E 187 VAL cc_start: 0.8435 (m) cc_final: 0.7856 (t) REVERT: E 189 GLU cc_start: 0.8234 (mt-10) cc_final: 0.7587 (mt-10) REVERT: E 198 HIS cc_start: 0.7800 (t-90) cc_final: 0.7188 (t-90) REVERT: E 203 HIS cc_start: 0.7789 (m170) cc_final: 0.7549 (m-70) REVERT: E 218 ILE cc_start: 0.8803 (mm) cc_final: 0.8538 (mm) REVERT: E 222 ASN cc_start: 0.8763 (m-40) cc_final: 0.8278 (m-40) REVERT: E 232 ASN cc_start: 0.8945 (m-40) cc_final: 0.7406 (m-40) REVERT: E 235 ARG cc_start: 0.8619 (mtt-85) cc_final: 0.7889 (mtt-85) REVERT: E 257 ASP cc_start: 0.7511 (p0) cc_final: 0.7142 (p0) REVERT: E 258 LEU cc_start: 0.8469 (mt) cc_final: 0.8027 (mt) REVERT: E 261 PHE cc_start: 0.8360 (m-80) cc_final: 0.7351 (m-80) REVERT: E 272 HIS cc_start: 0.7421 (p90) cc_final: 0.6440 (p90) REVERT: E 312 ASP cc_start: 0.7784 (t0) cc_final: 0.7343 (t70) REVERT: E 319 MET cc_start: 0.5774 (mmm) cc_final: 0.5308 (mmm) REVERT: E 379 ARG cc_start: 0.8637 (ptp-170) cc_final: 0.8134 (mtp180) REVERT: E 401 PHE cc_start: 0.8493 (t80) cc_final: 0.7743 (t80) REVERT: E 402 ASP cc_start: 0.8090 (m-30) cc_final: 0.7746 (m-30) REVERT: E 405 TYR cc_start: 0.7833 (t80) cc_final: 0.7410 (t80) REVERT: E 407 LYS cc_start: 0.8659 (mmmt) cc_final: 0.8246 (mmmt) REVERT: E 426 GLU cc_start: 0.8021 (mm-30) cc_final: 0.7731 (mm-30) REVERT: E 431 MET cc_start: 0.8061 (mmp) cc_final: 0.7624 (mmp) REVERT: N 3 GLU cc_start: 0.7323 (mp0) cc_final: 0.6807 (mp0) REVERT: N 19 LYS cc_start: 0.8369 (tppt) cc_final: 0.8000 (tppt) REVERT: N 20 PHE cc_start: 0.8791 (t80) cc_final: 0.8537 (t80) REVERT: N 23 VAL cc_start: 0.8484 (p) cc_final: 0.8075 (p) REVERT: N 27 GLU cc_start: 0.7899 (mt-10) cc_final: 0.7696 (mt-10) REVERT: N 48 ASN cc_start: 0.8042 (p0) cc_final: 0.7820 (p0) REVERT: N 58 LYS cc_start: 0.7507 (tttt) cc_final: 0.7286 (tttt) REVERT: N 62 ARG cc_start: 0.7416 (ttm110) cc_final: 0.6610 (ttm110) REVERT: N 67 ASP cc_start: 0.6998 (t70) cc_final: 0.6682 (t70) REVERT: N 73 MET cc_start: 0.8603 (mmt) cc_final: 0.8000 (mmt) REVERT: N 74 ASP cc_start: 0.7942 (m-30) cc_final: 0.7691 (m-30) REVERT: N 77 ARG cc_start: 0.8122 (ttm110) cc_final: 0.7414 (ttm110) REVERT: N 94 GLN cc_start: 0.7564 (mt0) cc_final: 0.7328 (mt0) REVERT: N 100 ASN cc_start: 0.8573 (t0) cc_final: 0.8220 (t0) REVERT: N 111 GLU cc_start: 0.7972 (pp20) cc_final: 0.7756 (pp20) REVERT: N 121 ARG cc_start: 0.8695 (mtt90) cc_final: 0.8188 (ptp-170) REVERT: N 123 GLU cc_start: 0.8291 (mm-30) cc_final: 0.7484 (mm-30) REVERT: N 128 ASP cc_start: 0.7304 (p0) cc_final: 0.6387 (p0) REVERT: N 129 CYS cc_start: 0.7776 (m) cc_final: 0.7214 (p) REVERT: N 147 MET cc_start: 0.7196 (tmm) cc_final: 0.6831 (tmm) REVERT: N 151 LEU cc_start: 0.8818 (pp) cc_final: 0.8580 (pp) REVERT: N 154 LYS cc_start: 0.8306 (mmpt) cc_final: 0.8010 (mmpt) REVERT: N 159 TYR cc_start: 0.8307 (m-80) cc_final: 0.7996 (m-80) REVERT: N 170 MET cc_start: 0.7558 (mtm) cc_final: 0.7225 (mpp) REVERT: N 195 ASN cc_start: 0.7691 (m-40) cc_final: 0.6447 (m-40) REVERT: N 197 ASP cc_start: 0.6778 (m-30) cc_final: 0.6034 (m-30) REVERT: N 198 GLU cc_start: 0.6406 (pm20) cc_final: 0.5403 (pm20) REVERT: N 202 ILE cc_start: 0.6805 (mt) cc_final: 0.6177 (mt) REVERT: N 205 GLU cc_start: 0.7497 (pt0) cc_final: 0.6716 (pt0) REVERT: N 215 LEU cc_start: 0.8235 (tp) cc_final: 0.7872 (tp) REVERT: N 217 LEU cc_start: 0.8431 (mt) cc_final: 0.8084 (mt) REVERT: N 232 THR cc_start: 0.8905 (p) cc_final: 0.8555 (m) REVERT: N 242 PHE cc_start: 0.8496 (m-80) cc_final: 0.7878 (m-80) REVERT: N 247 ASN cc_start: 0.7267 (m110) cc_final: 0.6965 (m110) REVERT: N 257 MET cc_start: 0.6774 (mtt) cc_final: 0.6202 (mtt) REVERT: N 262 ARG cc_start: 0.7778 (mtp85) cc_final: 0.7193 (mtt180) REVERT: N 264 HIS cc_start: 0.7674 (p-80) cc_final: 0.7148 (p-80) REVERT: N 270 PHE cc_start: 0.7420 (t80) cc_final: 0.6806 (t80) REVERT: N 289 LEU cc_start: 0.8641 (mt) cc_final: 0.7769 (mt) REVERT: N 292 GLN cc_start: 0.8596 (tt0) cc_final: 0.7730 (tt0) REVERT: N 293 MET cc_start: 0.7406 (mmm) cc_final: 0.6606 (mmm) REVERT: N 309 ARG cc_start: 0.6464 (mtp180) cc_final: 0.5810 (ttm-80) REVERT: N 324 LYS cc_start: 0.8273 (ttpt) cc_final: 0.7947 (ttpt) REVERT: N 326 VAL cc_start: 0.9326 (t) cc_final: 0.8944 (t) REVERT: N 327 ASP cc_start: 0.8766 (m-30) cc_final: 0.8325 (m-30) REVERT: N 330 MET cc_start: 0.8156 (mmp) cc_final: 0.7889 (mmp) REVERT: N 347 ASN cc_start: 0.7465 (t0) cc_final: 0.7065 (t0) REVERT: N 362 LYS cc_start: 0.7896 (mmmt) cc_final: 0.7021 (mmmt) REVERT: N 363 MET cc_start: 0.7464 (mmm) cc_final: 0.7131 (mmt) REVERT: N 367 PHE cc_start: 0.8292 (t80) cc_final: 0.7992 (t80) REVERT: N 381 ILE cc_start: 0.8402 (mm) cc_final: 0.8078 (mm) REVERT: N 388 MET cc_start: 0.7957 (mtp) cc_final: 0.7475 (mmp) REVERT: N 391 ARG cc_start: 0.7275 (ttt180) cc_final: 0.6911 (ttm170) REVERT: N 392 LYS cc_start: 0.7478 (mtmm) cc_final: 0.6959 (mmtm) REVERT: N 397 TRP cc_start: 0.6968 (m100) cc_final: 0.6092 (m100) REVERT: N 406 MET cc_start: 0.8562 (mmp) cc_final: 0.8123 (mmp) REVERT: N 415 MET cc_start: 0.8260 (tpt) cc_final: 0.7642 (tpp) REVERT: N 417 ASP cc_start: 0.7240 (m-30) cc_final: 0.6848 (m-30) REVERT: N 423 GLN cc_start: 0.8597 (tp-100) cc_final: 0.8237 (tp-100) REVERT: W 10 LYS cc_start: 0.7255 (mttt) cc_final: 0.7030 (mttt) REVERT: W 32 LYS cc_start: 0.8530 (mmmt) cc_final: 0.8210 (mmmt) REVERT: W 95 MET cc_start: 0.7223 (mtt) cc_final: 0.6644 (mtt) REVERT: W 110 ARG cc_start: 0.4413 (mtt-85) cc_final: 0.4142 (mtt-85) REVERT: W 113 GLN cc_start: 0.8315 (mm-40) cc_final: 0.7979 (mm-40) REVERT: W 171 ARG cc_start: 0.6756 (mtt180) cc_final: 0.6352 (mtt180) REVERT: W 185 GLU cc_start: 0.7432 (pp20) cc_final: 0.6412 (pp20) REVERT: W 268 LEU cc_start: 0.7909 (mt) cc_final: 0.7652 (mt) REVERT: W 311 GLU cc_start: 0.8543 (pm20) cc_final: 0.8177 (pm20) REVERT: F 11 GLN cc_start: 0.7355 (tp40) cc_final: 0.6933 (tp-100) REVERT: F 15 GLN cc_start: 0.8376 (mm-40) cc_final: 0.8091 (mm-40) REVERT: F 16 MET cc_start: 0.8529 (mtm) cc_final: 0.8316 (mtm) REVERT: F 18 ASN cc_start: 0.8607 (t0) cc_final: 0.8062 (t0) REVERT: F 24 TYR cc_start: 0.7943 (m-80) cc_final: 0.7229 (m-80) REVERT: F 31 GLN cc_start: 0.7591 (mt0) cc_final: 0.6903 (mp10) REVERT: F 55 PHE cc_start: 0.6834 (p90) cc_final: 0.6634 (p90) REVERT: F 72 VAL cc_start: 0.8023 (m) cc_final: 0.7686 (p) REVERT: F 79 THR cc_start: 0.8093 (p) cc_final: 0.7648 (p) REVERT: F 83 GLU cc_start: 0.7639 (tm-30) cc_final: 0.7382 (tm-30) REVERT: F 84 ILE cc_start: 0.8757 (mt) cc_final: 0.8445 (mp) REVERT: F 96 GLU cc_start: 0.7268 (tt0) cc_final: 0.7061 (tt0) REVERT: F 134 GLN cc_start: 0.7486 (pp30) cc_final: 0.7267 (tm-30) REVERT: F 160 MET cc_start: 0.7958 (tmm) cc_final: 0.6820 (tmm) REVERT: F 172 LYS cc_start: 0.7871 (ptpp) cc_final: 0.6627 (ptmt) REVERT: F 189 GLU cc_start: 0.7400 (pm20) cc_final: 0.6924 (pm20) REVERT: F 192 ASN cc_start: 0.8271 (m-40) cc_final: 0.7793 (m-40) REVERT: F 205 ASP cc_start: 0.6737 (m-30) cc_final: 0.6466 (m-30) REVERT: F 206 CYS cc_start: 0.7579 (p) cc_final: 0.6933 (p) REVERT: F 209 MET cc_start: 0.6461 (mmp) cc_final: 0.4299 (mmp) REVERT: F 235 ARG cc_start: 0.7470 (mtt-85) cc_final: 0.6954 (mtt-85) REVERT: F 277 THR cc_start: 0.7307 (t) cc_final: 0.5770 (p) REVERT: F 282 ILE cc_start: 0.7579 (tp) cc_final: 0.7306 (tp) REVERT: F 285 GLU cc_start: 0.8396 (pm20) cc_final: 0.7752 (pm20) REVERT: F 286 LYS cc_start: 0.8368 (ttmm) cc_final: 0.8152 (ttmm) REVERT: F 303 GLU cc_start: 0.8445 (tm-30) cc_final: 0.8012 (tm-30) REVERT: F 308 MET cc_start: 0.7336 (mpp) cc_final: 0.6676 (mpp) REVERT: F 321 CYS cc_start: 0.8227 (t) cc_final: 0.8020 (t) REVERT: F 355 THR cc_start: 0.7842 (p) cc_final: 0.7557 (p) REVERT: F 358 LYS cc_start: 0.7200 (tptp) cc_final: 0.6890 (tptp) REVERT: F 369 VAL cc_start: 0.8217 (t) cc_final: 0.7609 (p) REVERT: F 390 ILE cc_start: 0.8452 (mt) cc_final: 0.8185 (mt) REVERT: F 412 HIS cc_start: 0.7878 (p90) cc_final: 0.6972 (p90) REVERT: F 423 GLU cc_start: 0.8552 (pp20) cc_final: 0.8329 (pp20) REVERT: F 426 GLU cc_start: 0.8218 (mm-30) cc_final: 0.7500 (mm-30) REVERT: O 50 TYR cc_start: 0.7180 (m-80) cc_final: 0.6926 (m-10) REVERT: O 68 LEU cc_start: 0.7904 (tp) cc_final: 0.7579 (tp) REVERT: O 73 MET cc_start: 0.8053 (mmt) cc_final: 0.7469 (mmt) REVERT: O 74 ASP cc_start: 0.7959 (m-30) cc_final: 0.7744 (m-30) REVERT: O 78 SER cc_start: 0.8278 (m) cc_final: 0.7846 (p) REVERT: O 83 GLN cc_start: 0.7869 (mm-40) cc_final: 0.7592 (mm110) REVERT: O 92 PHE cc_start: 0.7905 (p90) cc_final: 0.7342 (p90) REVERT: O 100 ASN cc_start: 0.8041 (t0) cc_final: 0.7754 (t0) REVERT: O 123 GLU cc_start: 0.9120 (mm-30) cc_final: 0.8761 (mm-30) REVERT: O 147 MET cc_start: 0.7281 (tmm) cc_final: 0.6882 (tmm) REVERT: O 164 MET cc_start: 0.7257 (mtp) cc_final: 0.5988 (mtp) REVERT: O 181 GLU cc_start: 0.7725 (mt-10) cc_final: 0.7090 (mt-10) REVERT: O 195 ASN cc_start: 0.7594 (m-40) cc_final: 0.6443 (m-40) REVERT: O 198 GLU cc_start: 0.7522 (pt0) cc_final: 0.6909 (pt0) REVERT: O 200 TYR cc_start: 0.7672 (m-80) cc_final: 0.7150 (m-80) REVERT: O 250 LEU cc_start: 0.8414 (mm) cc_final: 0.7920 (mp) REVERT: O 253 LEU cc_start: 0.8408 (mp) cc_final: 0.8117 (mp) REVERT: O 256 ASN cc_start: 0.8164 (m-40) cc_final: 0.7712 (m-40) REVERT: O 264 HIS cc_start: 0.7371 (p-80) cc_final: 0.6841 (p-80) REVERT: O 286 VAL cc_start: 0.8709 (m) cc_final: 0.8451 (p) REVERT: O 293 MET cc_start: 0.7616 (mtp) cc_final: 0.7169 (mtp) REVERT: O 311 LEU cc_start: 0.6847 (mt) cc_final: 0.6473 (mt) REVERT: O 323 MET cc_start: 0.7732 (mmp) cc_final: 0.6488 (mmp) REVERT: O 327 ASP cc_start: 0.8527 (m-30) cc_final: 0.8062 (m-30) REVERT: O 336 LYS cc_start: 0.7944 (mtmt) cc_final: 0.7652 (mtmm) REVERT: O 362 LYS cc_start: 0.7707 (mmmt) cc_final: 0.6679 (mmmt) REVERT: O 363 MET cc_start: 0.7651 (mmm) cc_final: 0.7333 (mmm) REVERT: O 367 PHE cc_start: 0.7800 (t80) cc_final: 0.7463 (t80) REVERT: O 375 GLN cc_start: 0.7660 (pp30) cc_final: 0.7298 (pp30) REVERT: O 392 LYS cc_start: 0.8468 (mtmm) cc_final: 0.8167 (mtmm) REVERT: O 408 PHE cc_start: 0.7831 (m-80) cc_final: 0.7268 (m-80) REVERT: O 414 ASN cc_start: 0.8497 (m110) cc_final: 0.8090 (m110) REVERT: O 421 GLU cc_start: 0.7434 (tt0) cc_final: 0.7009 (tt0) REVERT: X 86 GLN cc_start: 0.4540 (OUTLIER) cc_final: 0.4096 (tm130) REVERT: X 95 MET cc_start: 0.7306 (mmp) cc_final: 0.7090 (mmp) REVERT: X 127 GLU cc_start: 0.5745 (tt0) cc_final: 0.5233 (tt0) REVERT: X 197 MET cc_start: 0.6471 (mmt) cc_final: 0.6188 (mpp) REVERT: X 220 GLU cc_start: 0.6860 (mm-30) cc_final: 0.6631 (mp0) REVERT: X 302 CYS cc_start: 0.7277 (m) cc_final: 0.6858 (m) REVERT: G 11 GLN cc_start: 0.6418 (tp-100) cc_final: 0.5845 (tp40) REVERT: G 23 LEU cc_start: 0.8289 (tp) cc_final: 0.7702 (tp) REVERT: G 27 GLU cc_start: 0.7991 (mt-10) cc_final: 0.7390 (mt-10) REVERT: G 83 GLU cc_start: 0.8210 (tm-30) cc_final: 0.7702 (tm-30) REVERT: G 97 GLN cc_start: 0.7717 (mm110) cc_final: 0.7192 (mm110) REVERT: G 119 GLU cc_start: 0.7758 (pp20) cc_final: 0.7404 (pp20) REVERT: G 134 GLN cc_start: 0.8630 (tm-30) cc_final: 0.8338 (tm-30) REVERT: G 169 LYS cc_start: 0.8497 (ptpp) cc_final: 0.8253 (ptpp) REVERT: G 174 GLU cc_start: 0.6681 (mp0) cc_final: 0.5966 (mp0) REVERT: G 192 ASN cc_start: 0.8453 (m-40) cc_final: 0.8040 (m-40) REVERT: G 199 THR cc_start: 0.8089 (p) cc_final: 0.7745 (p) REVERT: G 205 ASP cc_start: 0.7583 (m-30) cc_final: 0.7083 (m-30) REVERT: G 206 CYS cc_start: 0.7059 (p) cc_final: 0.5781 (p) REVERT: G 217 ASP cc_start: 0.7529 (t0) cc_final: 0.7073 (t0) REVERT: G 230 TYR cc_start: 0.7443 (m-80) cc_final: 0.6976 (m-80) REVERT: G 235 ARG cc_start: 0.7619 (mtt-85) cc_final: 0.7308 (tpp80) REVERT: G 236 LEU cc_start: 0.7708 (pt) cc_final: 0.7493 (pt) REVERT: G 248 LEU cc_start: 0.8497 (mt) cc_final: 0.8280 (mp) REVERT: G 258 LEU cc_start: 0.8057 (mt) cc_final: 0.7846 (mm) REVERT: G 277 THR cc_start: 0.8125 (t) cc_final: 0.7297 (p) REVERT: G 299 ASN cc_start: 0.8260 (m110) cc_final: 0.7993 (m110) REVERT: G 303 GLU cc_start: 0.8112 (tm-30) cc_final: 0.7617 (tm-30) REVERT: G 312 ASP cc_start: 0.7978 (t0) cc_final: 0.6963 (t0) REVERT: G 315 HIS cc_start: 0.7966 (m90) cc_final: 0.7584 (m170) REVERT: G 317 LYS cc_start: 0.7914 (mttm) cc_final: 0.7579 (mttm) REVERT: G 321 CYS cc_start: 0.6901 (t) cc_final: 0.6096 (t) REVERT: G 323 LEU cc_start: 0.7743 (mm) cc_final: 0.7256 (mm) REVERT: G 324 LEU cc_start: 0.7643 (mp) cc_final: 0.7109 (mp) REVERT: G 344 LYS cc_start: 0.7978 (ttmm) cc_final: 0.7597 (mmmm) REVERT: G 347 ILE cc_start: 0.7524 (pt) cc_final: 0.6943 (pt) REVERT: G 348 GLN cc_start: 0.7801 (pt0) cc_final: 0.7447 (mp10) REVERT: G 363 TYR cc_start: 0.7083 (m-80) cc_final: 0.6823 (m-80) REVERT: G 369 VAL cc_start: 0.8252 (t) cc_final: 0.7916 (p) REVERT: G 378 GLN cc_start: 0.8229 (mm110) cc_final: 0.7586 (mm110) REVERT: G 382 CYS cc_start: 0.6743 (p) cc_final: 0.6411 (p) REVERT: G 400 LYS cc_start: 0.7901 (ptpt) cc_final: 0.7590 (ptpp) REVERT: G 404 MET cc_start: 0.8768 (mtm) cc_final: 0.8386 (mtt) REVERT: G 407 LYS cc_start: 0.8571 (mmmt) cc_final: 0.8113 (mmmm) REVERT: G 423 GLU cc_start: 0.7607 (pm20) cc_final: 0.7120 (pm20) REVERT: G 426 GLU cc_start: 0.7970 (mm-30) cc_final: 0.7166 (mm-30) REVERT: G 431 MET cc_start: 0.7900 (mmp) cc_final: 0.7455 (mmp) REVERT: G 440 GLU cc_start: 0.7862 (mt-10) cc_final: 0.7354 (mt-10) REVERT: P 11 GLN cc_start: 0.7391 (tt0) cc_final: 0.6558 (tp40) REVERT: P 19 LYS cc_start: 0.7879 (tptt) cc_final: 0.7149 (tptt) REVERT: P 21 TRP cc_start: 0.7969 (m100) cc_final: 0.7622 (m100) REVERT: P 47 ILE cc_start: 0.8106 (tt) cc_final: 0.7791 (tt) REVERT: P 59 TYR cc_start: 0.7744 (m-80) cc_final: 0.7281 (m-80) REVERT: P 73 MET cc_start: 0.8494 (mmt) cc_final: 0.7529 (mmt) REVERT: P 74 ASP cc_start: 0.8197 (m-30) cc_final: 0.7853 (m-30) REVERT: P 84 ILE cc_start: 0.7912 (tt) cc_final: 0.7666 (tt) REVERT: P 86 ARG cc_start: 0.8216 (tpp80) cc_final: 0.7751 (tpp80) REVERT: P 89 ASN cc_start: 0.8482 (m-40) cc_final: 0.8091 (m110) REVERT: P 99 ASN cc_start: 0.7227 (m-40) cc_final: 0.6619 (m110) REVERT: P 134 GLN cc_start: 0.6657 (tp-100) cc_final: 0.6311 (tp-100) REVERT: P 147 MET cc_start: 0.7253 (tmm) cc_final: 0.6879 (tmm) REVERT: P 160 PRO cc_start: 0.8121 (Cg_endo) cc_final: 0.7871 (Cg_exo) REVERT: P 164 MET cc_start: 0.7799 (mtp) cc_final: 0.6896 (mtp) REVERT: P 179 VAL cc_start: 0.7838 (t) cc_final: 0.7607 (p) REVERT: P 181 GLU cc_start: 0.7335 (mt-10) cc_final: 0.6809 (mt-10) REVERT: P 184 ASN cc_start: 0.7730 (m-40) cc_final: 0.7334 (m-40) REVERT: P 195 ASN cc_start: 0.8319 (m-40) cc_final: 0.7190 (m-40) REVERT: P 198 GLU cc_start: 0.6835 (pt0) cc_final: 0.6236 (pt0) REVERT: P 202 ILE cc_start: 0.5798 (mt) cc_final: 0.5135 (mt) REVERT: P 216 LYS cc_start: 0.8805 (ptpt) cc_final: 0.8250 (ptpt) REVERT: P 262 ARG cc_start: 0.8160 (mtp85) cc_final: 0.7679 (mtp180) REVERT: P 264 HIS cc_start: 0.7809 (p-80) cc_final: 0.6658 (p-80) REVERT: P 284 LEU cc_start: 0.8256 (pt) cc_final: 0.8018 (pp) REVERT: P 289 LEU cc_start: 0.8256 (mt) cc_final: 0.7977 (mt) REVERT: P 297 LYS cc_start: 0.8044 (mmmt) cc_final: 0.7646 (mmmt) REVERT: P 299 MET cc_start: 0.7013 (mtm) cc_final: 0.6749 (mtm) REVERT: P 300 MET cc_start: 0.6933 (mtm) cc_final: 0.6415 (mtm) REVERT: P 318 ARG cc_start: 0.6772 (ttp-170) cc_final: 0.5231 (ttp-170) REVERT: P 320 ARG cc_start: 0.7081 (mmm160) cc_final: 0.6798 (mmm160) REVERT: P 323 MET cc_start: 0.7718 (mmp) cc_final: 0.6405 (mmp) REVERT: P 327 ASP cc_start: 0.8491 (m-30) cc_final: 0.8165 (m-30) REVERT: P 336 LYS cc_start: 0.8429 (mtmm) cc_final: 0.8081 (mtmm) REVERT: P 337 ASN cc_start: 0.7728 (m-40) cc_final: 0.6853 (t0) REVERT: P 349 VAL cc_start: 0.8257 (t) cc_final: 0.7881 (m) REVERT: P 350 LYS cc_start: 0.7897 (tptp) cc_final: 0.7590 (tptp) REVERT: P 351 THR cc_start: 0.7872 (p) cc_final: 0.7600 (p) REVERT: P 359 ARG cc_start: 0.7103 (ttm-80) cc_final: 0.6761 (ttm-80) REVERT: P 362 LYS cc_start: 0.7554 (mmmt) cc_final: 0.6583 (mmmt) REVERT: P 363 MET cc_start: 0.7853 (mmm) cc_final: 0.7241 (mmm) REVERT: P 364 SER cc_start: 0.7453 (m) cc_final: 0.6997 (p) REVERT: P 375 GLN cc_start: 0.7673 (pt0) cc_final: 0.6961 (pt0) REVERT: P 379 LYS cc_start: 0.8340 (mmtp) cc_final: 0.7678 (mmtp) REVERT: P 380 ARG cc_start: 0.8081 (ptm-80) cc_final: 0.7571 (ptm-80) REVERT: P 388 MET cc_start: 0.7976 (mtp) cc_final: 0.7579 (tpp) REVERT: P 392 LYS cc_start: 0.8097 (mtmm) cc_final: 0.7590 (mtmm) REVERT: P 395 LEU cc_start: 0.8353 (mt) cc_final: 0.7926 (mt) REVERT: P 397 TRP cc_start: 0.7031 (m100) cc_final: 0.6729 (m100) REVERT: P 407 GLU cc_start: 0.8223 (mt-10) cc_final: 0.7362 (mt-10) REVERT: P 410 GLU cc_start: 0.7964 (mt-10) cc_final: 0.7597 (mt-10) REVERT: P 414 ASN cc_start: 0.8290 (m-40) cc_final: 0.7966 (m-40) REVERT: P 423 GLN cc_start: 0.7878 (tp40) cc_final: 0.7472 (tp40) REVERT: Z 18 LEU cc_start: 0.7956 (mt) cc_final: 0.7742 (mt) REVERT: Z 32 LYS cc_start: 0.7494 (tppt) cc_final: 0.6745 (tptp) REVERT: Z 58 GLN cc_start: 0.7700 (mm110) cc_final: 0.7353 (mm110) REVERT: Z 105 MET cc_start: 0.4541 (mmt) cc_final: 0.4254 (mmm) REVERT: Z 185 GLU cc_start: 0.5875 (pp20) cc_final: 0.5338 (pp20) REVERT: Z 197 MET cc_start: 0.6654 (pmm) cc_final: 0.5648 (pmm) REVERT: Z 282 MET cc_start: 0.7774 (tpt) cc_final: 0.7257 (tpt) REVERT: Z 311 GLU cc_start: 0.8430 (mp0) cc_final: 0.7745 (mp0) REVERT: H 11 GLN cc_start: 0.6715 (tp-100) cc_final: 0.5715 (tp40) REVERT: H 15 GLN cc_start: 0.7566 (mm-40) cc_final: 0.7172 (mm110) REVERT: H 16 MET cc_start: 0.7699 (mtm) cc_final: 0.6872 (mmt) REVERT: H 23 LEU cc_start: 0.8165 (tp) cc_final: 0.7728 (tp) REVERT: H 31 GLN cc_start: 0.7699 (mt0) cc_final: 0.7234 (mt0) REVERT: H 70 ARG cc_start: 0.7416 (mmt90) cc_final: 0.7078 (mpt-90) REVERT: H 74 VAL cc_start: 0.7834 (m) cc_final: 0.7634 (p) REVERT: H 75 ASP cc_start: 0.5894 (t0) cc_final: 0.5665 (t0) REVERT: H 83 GLU cc_start: 0.7841 (tm-30) cc_final: 0.7428 (tm-30) REVERT: H 84 ILE cc_start: 0.8909 (mt) cc_final: 0.8413 (mm) REVERT: H 93 PHE cc_start: 0.7028 (m-80) cc_final: 0.6795 (m-80) REVERT: H 96 GLU cc_start: 0.7476 (tt0) cc_final: 0.6797 (tt0) REVERT: H 104 ASP cc_start: 0.5545 (t0) cc_final: 0.5210 (t0) REVERT: H 161 GLU cc_start: 0.7716 (tt0) cc_final: 0.7397 (tt0) REVERT: H 170 LYS cc_start: 0.8100 (tppt) cc_final: 0.7675 (tppp) REVERT: H 189 GLU cc_start: 0.8112 (pt0) cc_final: 0.7630 (mt-10) REVERT: H 203 HIS cc_start: 0.7737 (m-70) cc_final: 0.7437 (m-70) REVERT: H 209 MET cc_start: 0.7938 (mmm) cc_final: 0.7229 (mmm) REVERT: H 211 ASP cc_start: 0.6834 (t0) cc_final: 0.6384 (t0) REVERT: H 218 ILE cc_start: 0.8536 (mm) cc_final: 0.8301 (mm) REVERT: H 222 ASN cc_start: 0.8327 (m-40) cc_final: 0.8064 (t0) REVERT: H 232 ASN cc_start: 0.8731 (m110) cc_final: 0.7382 (m110) REVERT: H 235 ARG cc_start: 0.8263 (mtt-85) cc_final: 0.7620 (mtt-85) REVERT: H 257 ASP cc_start: 0.7473 (p0) cc_final: 0.7044 (p0) REVERT: H 272 HIS cc_start: 0.7260 (p90) cc_final: 0.6161 (p90) REVERT: H 291 GLN cc_start: 0.7823 (tp40) cc_final: 0.7602 (tm-30) REVERT: H 308 MET cc_start: 0.7318 (mpp) cc_final: 0.7046 (mpp) REVERT: H 311 CYS cc_start: 0.7810 (m) cc_final: 0.7452 (m) REVERT: H 312 ASP cc_start: 0.8169 (t0) cc_final: 0.7807 (t0) REVERT: H 319 MET cc_start: 0.6079 (mmm) cc_final: 0.5383 (mmm) REVERT: H 332 LYS cc_start: 0.7255 (mtmt) cc_final: 0.6727 (mttt) REVERT: H 338 ILE cc_start: 0.8235 (pt) cc_final: 0.7730 (pt) REVERT: H 342 LYS cc_start: 0.8385 (mttt) cc_final: 0.7804 (mttt) REVERT: H 402 ASP cc_start: 0.7882 (m-30) cc_final: 0.7673 (m-30) REVERT: H 405 TYR cc_start: 0.7833 (t80) cc_final: 0.7572 (t80) REVERT: H 407 LYS cc_start: 0.8922 (mmmt) cc_final: 0.8405 (mmmt) REVERT: H 426 GLU cc_start: 0.7789 (mm-30) cc_final: 0.7116 (mm-30) REVERT: H 430 ASP cc_start: 0.8145 (t0) cc_final: 0.7924 (t0) REVERT: H 431 MET cc_start: 0.8146 (mmp) cc_final: 0.7942 (mmp) REVERT: H 434 LEU cc_start: 0.8522 (pp) cc_final: 0.8131 (pp) REVERT: R 3 GLU cc_start: 0.6851 (mp0) cc_final: 0.6137 (mp0) REVERT: R 73 MET cc_start: 0.8258 (mmt) cc_final: 0.7595 (mmt) REVERT: R 74 ASP cc_start: 0.7986 (m-30) cc_final: 0.7610 (m-30) REVERT: R 100 ASN cc_start: 0.7966 (t0) cc_final: 0.7444 (t0) REVERT: R 108 GLU cc_start: 0.8013 (mm-30) cc_final: 0.7510 (mm-30) REVERT: R 111 GLU cc_start: 0.7640 (pp20) cc_final: 0.7348 (pp20) REVERT: R 123 GLU cc_start: 0.8380 (mm-30) cc_final: 0.7639 (mm-30) REVERT: R 128 ASP cc_start: 0.7339 (p0) cc_final: 0.6724 (p0) REVERT: R 129 CYS cc_start: 0.6664 (t) cc_final: 0.5618 (p) REVERT: R 164 MET cc_start: 0.5825 (mtp) cc_final: 0.5319 (mtp) REVERT: R 178 THR cc_start: 0.6623 (m) cc_final: 0.6267 (p) REVERT: R 188 SER cc_start: 0.8472 (m) cc_final: 0.7989 (p) REVERT: R 216 LYS cc_start: 0.8137 (ptmt) cc_final: 0.7697 (ptmt) REVERT: R 217 LEU cc_start: 0.8156 (mm) cc_final: 0.7845 (mm) REVERT: R 224 ASP cc_start: 0.8028 (m-30) cc_final: 0.7783 (m-30) REVERT: R 242 PHE cc_start: 0.8472 (m-80) cc_final: 0.8207 (m-80) REVERT: R 264 HIS cc_start: 0.7922 (p-80) cc_final: 0.6622 (p-80) REVERT: R 266 PHE cc_start: 0.6855 (m-10) cc_final: 0.6144 (m-10) REVERT: R 282 ARG cc_start: 0.7056 (ttt90) cc_final: 0.6617 (ttt90) REVERT: R 289 LEU cc_start: 0.8180 (mt) cc_final: 0.7911 (pp) REVERT: R 290 THR cc_start: 0.8604 (m) cc_final: 0.8316 (p) REVERT: R 292 GLN cc_start: 0.8512 (tt0) cc_final: 0.8050 (tt0) REVERT: R 293 MET cc_start: 0.7741 (mtp) cc_final: 0.7141 (mtp) REVERT: R 298 ASN cc_start: 0.8226 (t0) cc_final: 0.7843 (t0) REVERT: R 299 MET cc_start: 0.6888 (mtm) cc_final: 0.6050 (mtm) REVERT: R 300 MET cc_start: 0.7214 (mtm) cc_final: 0.6072 (mtm) REVERT: R 311 LEU cc_start: 0.7308 (mp) cc_final: 0.6977 (mp) REVERT: R 320 ARG cc_start: 0.7180 (ttt-90) cc_final: 0.6872 (ttt-90) REVERT: R 321 MET cc_start: 0.8503 (ptp) cc_final: 0.8060 (ptp) REVERT: R 323 MET cc_start: 0.7499 (mmp) cc_final: 0.7064 (mmp) REVERT: R 326 VAL cc_start: 0.9133 (t) cc_final: 0.8563 (t) REVERT: R 327 ASP cc_start: 0.8750 (m-30) cc_final: 0.8321 (m-30) REVERT: R 328 GLU cc_start: 0.7431 (pp20) cc_final: 0.6818 (pp20) REVERT: R 330 MET cc_start: 0.8427 (mmp) cc_final: 0.8035 (mmp) REVERT: R 350 LYS cc_start: 0.8015 (tmtt) cc_final: 0.7744 (tmtt) REVERT: R 362 LYS cc_start: 0.8173 (mmmt) cc_final: 0.7264 (mmmt) REVERT: R 363 MET cc_start: 0.7994 (mmm) cc_final: 0.7584 (mmp) REVERT: R 367 PHE cc_start: 0.8435 (t80) cc_final: 0.7623 (t80) REVERT: R 392 LYS cc_start: 0.7589 (mtmm) cc_final: 0.7011 (mmtm) REVERT: R 397 TRP cc_start: 0.6631 (m100) cc_final: 0.6326 (m100) REVERT: R 410 GLU cc_start: 0.7635 (mt-10) cc_final: 0.7162 (mt-10) REVERT: R 415 MET cc_start: 0.7941 (mmm) cc_final: 0.7474 (mmm) REVERT: a 36 GLU cc_start: 0.7006 (mt-10) cc_final: 0.6464 (mt-10) REVERT: a 53 GLN cc_start: 0.3915 (mp10) cc_final: 0.3514 (mp10) REVERT: a 67 LYS cc_start: 0.6563 (tptt) cc_final: 0.5969 (pttm) REVERT: a 95 MET cc_start: 0.7277 (mtt) cc_final: 0.6873 (mtt) REVERT: a 122 MET cc_start: 0.5987 (mmp) cc_final: 0.5770 (mmp) REVERT: a 252 LYS cc_start: 0.6913 (mttt) cc_final: 0.6505 (mttt) REVERT: a 268 LEU cc_start: 0.7939 (mt) cc_final: 0.7713 (mt) REVERT: a 282 MET cc_start: 0.8310 (tpt) cc_final: 0.7909 (tpt) REVERT: a 307 TYR cc_start: 0.6258 (t80) cc_final: 0.5892 (t80) REVERT: a 311 GLU cc_start: 0.8621 (pm20) cc_final: 0.8284 (pm20) outliers start: 5 outliers final: 0 residues processed: 3705 average time/residue: 0.7873 time to fit residues: 4914.0216 Evaluate side-chains 3592 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3591 time to evaluate : 6.715 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 339 optimal weight: 30.0000 chunk 908 optimal weight: 10.0000 chunk 199 optimal weight: 5.9990 chunk 592 optimal weight: 4.9990 chunk 249 optimal weight: 10.0000 chunk 1010 optimal weight: 8.9990 chunk 838 optimal weight: 0.2980 chunk 467 optimal weight: 0.0030 chunk 83 optimal weight: 5.9990 chunk 334 optimal weight: 8.9990 chunk 530 optimal weight: 0.9990 overall best weight: 2.4596 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** I 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 306 ASN I 307 GLN I 348 GLN ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 94 GLN ** Q 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 292 GLN Q 375 GLN Y 8 ASN Y 156 HIS ** A 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 192 ASN A 198 HIS ** J 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 165 ASN J 292 GLN ** J 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 375 GLN J 424 GLN B 262 GLN ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 14 ASN K 48 ASN K 190 HIS K 292 GLN ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 414 ASN T 8 ASN T 86 GLN T 117 ASN ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 255 ASN C 299 ASN C 315 HIS C 378 GLN ** L 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 86 GLN U 156 HIS ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 289 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 307 GLN ** D 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 412 HIS M 48 ASN M 227 HIS ** M 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 348 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 424 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 145 HIS E 232 ASN ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 212 ASN F 262 GLN ** O 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 37 HIS O 48 ASN ** O 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 99 ASN O 414 ASN ** X 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 117 ASN ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 198 HIS G 262 GLN G 289 HIS ** G 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 227 HIS Z 60 GLN Z 156 HIS H 28 HIS ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 262 GLN H 307 GLN ** R 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 292 GLN ** R 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 60 GLN Total number of N/Q/H flips: 53 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6742 moved from start: 0.5295 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.040 85869 Z= 0.230 Angle : 0.630 10.705 116442 Z= 0.323 Chirality : 0.047 0.300 12780 Planarity : 0.004 0.065 15093 Dihedral : 8.741 165.535 12231 Min Nonbonded Distance : 2.086 Molprobity Statistics. All-atom Clashscore : 16.74 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.66 % Favored : 96.34 % Rotamer: Outliers : 0.03 % Allowed : 2.49 % Favored : 97.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.83 (0.08), residues: 10530 helix: -0.23 (0.08), residues: 4248 sheet: -0.44 (0.13), residues: 1719 loop : -0.74 (0.09), residues: 4563 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.025 0.002 TRP F 394 HIS 0.012 0.001 HIS G 289 PHE 0.036 0.002 PHE a 82 TYR 0.033 0.002 TYR H 230 ARG 0.011 0.000 ARG A 111 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3791 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 3788 time to evaluate : 6.968 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 8 HIS cc_start: 0.7405 (m170) cc_final: 0.6812 (m170) REVERT: I 11 GLN cc_start: 0.7048 (tp-100) cc_final: 0.6672 (tp-100) REVERT: I 15 GLN cc_start: 0.8270 (mm-40) cc_final: 0.8003 (mm-40) REVERT: I 16 MET cc_start: 0.8487 (mtm) cc_final: 0.8135 (mtm) REVERT: I 31 GLN cc_start: 0.7482 (mt0) cc_final: 0.7278 (mt0) REVERT: I 61 GLU cc_start: 0.6293 (tm-30) cc_final: 0.6007 (tm-30) REVERT: I 83 GLU cc_start: 0.8447 (tm-30) cc_final: 0.8042 (tm-30) REVERT: I 119 GLU cc_start: 0.7994 (pp20) cc_final: 0.7749 (pp20) REVERT: I 120 ILE cc_start: 0.8579 (tp) cc_final: 0.8371 (tp) REVERT: I 125 LEU cc_start: 0.8637 (mt) cc_final: 0.8421 (tt) REVERT: I 134 GLN cc_start: 0.8564 (tm-30) cc_final: 0.8053 (tm-30) REVERT: I 144 PHE cc_start: 0.7614 (m-80) cc_final: 0.6483 (m-80) REVERT: I 158 LEU cc_start: 0.8486 (tp) cc_final: 0.8118 (tp) REVERT: I 160 MET cc_start: 0.8030 (tmm) cc_final: 0.7086 (tmm) REVERT: I 161 GLU cc_start: 0.8248 (tt0) cc_final: 0.7712 (tm-30) REVERT: I 169 LYS cc_start: 0.8660 (ptpp) cc_final: 0.8385 (ptpp) REVERT: I 178 TYR cc_start: 0.5650 (m-10) cc_final: 0.4121 (m-10) REVERT: I 209 MET cc_start: 0.6708 (mmt) cc_final: 0.5898 (mmt) REVERT: I 212 ASN cc_start: 0.8398 (m-40) cc_final: 0.7701 (m-40) REVERT: I 216 TYR cc_start: 0.7666 (m-80) cc_final: 0.6948 (m-80) REVERT: I 218 ILE cc_start: 0.8296 (mm) cc_final: 0.7957 (mm) REVERT: I 248 LEU cc_start: 0.8732 (mt) cc_final: 0.8501 (mt) REVERT: I 250 PHE cc_start: 0.7294 (m-80) cc_final: 0.7077 (m-80) REVERT: I 257 ASP cc_start: 0.7261 (p0) cc_final: 0.6120 (p0) REVERT: I 258 LEU cc_start: 0.8269 (mt) cc_final: 0.7727 (mm) REVERT: I 262 GLN cc_start: 0.7979 (mp-120) cc_final: 0.7322 (mp-120) REVERT: I 290 GLU cc_start: 0.7755 (tp30) cc_final: 0.7101 (mm-30) REVERT: I 291 GLN cc_start: 0.7678 (tm-30) cc_final: 0.7319 (tm-30) REVERT: I 303 GLU cc_start: 0.8259 (pp20) cc_final: 0.7978 (pp20) REVERT: I 309 VAL cc_start: 0.8525 (p) cc_final: 0.8292 (t) REVERT: I 311 CYS cc_start: 0.8275 (m) cc_final: 0.8055 (m) REVERT: I 312 ASP cc_start: 0.7678 (t0) cc_final: 0.6799 (t0) REVERT: I 315 HIS cc_start: 0.7635 (m90) cc_final: 0.7315 (m-70) REVERT: I 332 LYS cc_start: 0.8181 (pttm) cc_final: 0.7697 (pttm) REVERT: I 342 LYS cc_start: 0.8780 (tptt) cc_final: 0.8419 (tptt) REVERT: I 344 LYS cc_start: 0.8158 (ttmm) cc_final: 0.7844 (ttmm) REVERT: I 348 GLN cc_start: 0.8610 (pt0) cc_final: 0.8276 (pt0) REVERT: I 378 GLN cc_start: 0.7791 (mm110) cc_final: 0.7515 (mm-40) REVERT: I 379 ARG cc_start: 0.8369 (ptp90) cc_final: 0.7914 (mtm180) REVERT: I 398 ASP cc_start: 0.8476 (t70) cc_final: 0.7639 (t0) REVERT: I 400 LYS cc_start: 0.8681 (ptpt) cc_final: 0.8270 (ptpp) REVERT: I 402 ASP cc_start: 0.8213 (m-30) cc_final: 0.7783 (m-30) REVERT: I 408 ARG cc_start: 0.8141 (mmp80) cc_final: 0.7895 (mmp-170) REVERT: I 428 ARG cc_start: 0.7956 (tpt90) cc_final: 0.7669 (tpt90) REVERT: I 441 VAL cc_start: 0.8682 (p) cc_final: 0.8283 (p) REVERT: Q 11 GLN cc_start: 0.7472 (tt0) cc_final: 0.6430 (tm-30) REVERT: Q 31 ASP cc_start: 0.7178 (t0) cc_final: 0.6729 (t0) REVERT: Q 45 GLU cc_start: 0.7040 (tm-30) cc_final: 0.6812 (tm-30) REVERT: Q 62 ARG cc_start: 0.7768 (ttm110) cc_final: 0.7465 (ttm110) REVERT: Q 73 MET cc_start: 0.8631 (mmt) cc_final: 0.7741 (mmt) REVERT: Q 99 ASN cc_start: 0.7308 (m-40) cc_final: 0.7020 (m-40) REVERT: Q 108 GLU cc_start: 0.7897 (mp0) cc_final: 0.6983 (mp0) REVERT: Q 117 LEU cc_start: 0.8345 (mp) cc_final: 0.7864 (mp) REVERT: Q 120 VAL cc_start: 0.8929 (m) cc_final: 0.8498 (t) REVERT: Q 121 ARG cc_start: 0.8100 (mtt180) cc_final: 0.7793 (ttm110) REVERT: Q 147 MET cc_start: 0.7594 (tmm) cc_final: 0.7090 (tmm) REVERT: Q 164 MET cc_start: 0.6948 (mtp) cc_final: 0.5878 (mtp) REVERT: Q 165 ASN cc_start: 0.7686 (t0) cc_final: 0.7213 (t0) REVERT: Q 178 THR cc_start: 0.7317 (m) cc_final: 0.6606 (m) REVERT: Q 181 GLU cc_start: 0.7639 (mt-10) cc_final: 0.7004 (mt-10) REVERT: Q 184 ASN cc_start: 0.8423 (m-40) cc_final: 0.8040 (m-40) REVERT: Q 195 ASN cc_start: 0.8202 (m-40) cc_final: 0.7191 (m-40) REVERT: Q 196 THR cc_start: 0.7906 (t) cc_final: 0.7380 (t) REVERT: Q 197 ASP cc_start: 0.6948 (m-30) cc_final: 0.6513 (m-30) REVERT: Q 198 GLU cc_start: 0.6284 (pt0) cc_final: 0.5982 (pt0) REVERT: Q 204 ASN cc_start: 0.8237 (t0) cc_final: 0.8028 (t0) REVERT: Q 209 ASP cc_start: 0.7249 (t70) cc_final: 0.6741 (t70) REVERT: Q 216 LYS cc_start: 0.8507 (ptpt) cc_final: 0.8242 (ptpt) REVERT: Q 232 THR cc_start: 0.8552 (p) cc_final: 0.8331 (t) REVERT: Q 240 LEU cc_start: 0.8247 (pp) cc_final: 0.7987 (pp) REVERT: Q 257 MET cc_start: 0.7242 (mmm) cc_final: 0.6788 (mmm) REVERT: Q 262 ARG cc_start: 0.8274 (mtp85) cc_final: 0.7737 (mtp180) REVERT: Q 264 HIS cc_start: 0.8045 (p-80) cc_final: 0.7252 (p-80) REVERT: Q 273 LEU cc_start: 0.8560 (mp) cc_final: 0.8237 (mp) REVERT: Q 290 THR cc_start: 0.8157 (p) cc_final: 0.7919 (p) REVERT: Q 297 LYS cc_start: 0.8337 (mmmt) cc_final: 0.7653 (mmmt) REVERT: Q 299 MET cc_start: 0.7111 (mtp) cc_final: 0.6660 (mtp) REVERT: Q 300 MET cc_start: 0.7510 (mtm) cc_final: 0.7078 (mtm) REVERT: Q 321 MET cc_start: 0.8561 (ptp) cc_final: 0.7916 (ptp) REVERT: Q 330 MET cc_start: 0.8234 (mmp) cc_final: 0.7556 (mmp) REVERT: Q 331 LEU cc_start: 0.8751 (tp) cc_final: 0.8480 (tp) REVERT: Q 350 LYS cc_start: 0.7616 (tptp) cc_final: 0.6509 (tptp) REVERT: Q 354 CYS cc_start: 0.8206 (t) cc_final: 0.7774 (p) REVERT: Q 362 LYS cc_start: 0.7883 (mmmt) cc_final: 0.7054 (mmmt) REVERT: Q 363 MET cc_start: 0.7936 (mmm) cc_final: 0.7068 (mmm) REVERT: Q 367 PHE cc_start: 0.8173 (t80) cc_final: 0.7309 (t80) REVERT: Q 397 TRP cc_start: 0.7650 (m100) cc_final: 0.7157 (m100) REVERT: Q 404 ASP cc_start: 0.8321 (t0) cc_final: 0.7342 (t0) REVERT: Q 407 GLU cc_start: 0.8131 (mt-10) cc_final: 0.7312 (pt0) REVERT: Q 409 THR cc_start: 0.8565 (m) cc_final: 0.8332 (p) REVERT: Q 415 MET cc_start: 0.7828 (tpt) cc_final: 0.7545 (tpt) REVERT: Q 422 TYR cc_start: 0.7512 (m-80) cc_final: 0.7277 (m-80) REVERT: Y 32 LYS cc_start: 0.7517 (tppt) cc_final: 0.6642 (mmtp) REVERT: Y 58 GLN cc_start: 0.7455 (mm110) cc_final: 0.7046 (mm110) REVERT: Y 93 HIS cc_start: 0.7854 (t-90) cc_final: 0.7118 (t-90) REVERT: Y 101 ASP cc_start: 0.5772 (t70) cc_final: 0.5408 (t0) REVERT: Y 113 GLN cc_start: 0.7117 (mm110) cc_final: 0.6684 (mm-40) REVERT: Y 147 ASP cc_start: 0.7009 (m-30) cc_final: 0.6680 (m-30) REVERT: Y 178 GLU cc_start: 0.7932 (mt-10) cc_final: 0.7296 (mt-10) REVERT: Y 220 GLU cc_start: 0.6103 (mm-30) cc_final: 0.5692 (mm-30) REVERT: Y 282 MET cc_start: 0.7855 (tpt) cc_final: 0.7503 (tpt) REVERT: A 11 GLN cc_start: 0.7313 (tt0) cc_final: 0.6482 (tm-30) REVERT: A 16 MET cc_start: 0.8399 (mtm) cc_final: 0.7849 (mtm) REVERT: A 23 LEU cc_start: 0.8374 (tp) cc_final: 0.7172 (tp) REVERT: A 24 TYR cc_start: 0.7996 (m-80) cc_final: 0.7300 (m-80) REVERT: A 27 GLU cc_start: 0.8054 (mt-10) cc_final: 0.7770 (mt-10) REVERT: A 31 GLN cc_start: 0.8182 (mt0) cc_final: 0.7913 (mt0) REVERT: A 79 THR cc_start: 0.7388 (p) cc_final: 0.6829 (p) REVERT: A 93 PHE cc_start: 0.6969 (m-80) cc_final: 0.6146 (m-80) REVERT: A 96 GLU cc_start: 0.7913 (tt0) cc_final: 0.7002 (tt0) REVERT: A 97 GLN cc_start: 0.8190 (mt0) cc_final: 0.7399 (mt0) REVERT: A 125 LEU cc_start: 0.8163 (mm) cc_final: 0.7929 (mm) REVERT: A 129 ARG cc_start: 0.8423 (mmm160) cc_final: 0.8042 (mmm160) REVERT: A 160 MET cc_start: 0.8075 (tmm) cc_final: 0.7451 (tmm) REVERT: A 161 GLU cc_start: 0.8096 (tt0) cc_final: 0.7583 (tt0) REVERT: A 163 LEU cc_start: 0.8894 (pp) cc_final: 0.8418 (tt) REVERT: A 170 LYS cc_start: 0.7944 (tppt) cc_final: 0.7314 (tppp) REVERT: A 172 LYS cc_start: 0.7755 (mtmm) cc_final: 0.7441 (mtpt) REVERT: A 175 PHE cc_start: 0.6952 (m-10) cc_final: 0.6749 (m-10) REVERT: A 189 GLU cc_start: 0.8611 (pt0) cc_final: 0.8102 (pt0) REVERT: A 203 HIS cc_start: 0.8458 (m170) cc_final: 0.7497 (m90) REVERT: A 213 GLU cc_start: 0.7820 (pt0) cc_final: 0.7383 (pt0) REVERT: A 218 ILE cc_start: 0.8705 (mm) cc_final: 0.8446 (mm) REVERT: A 232 ASN cc_start: 0.8530 (m110) cc_final: 0.8186 (m110) REVERT: A 235 ARG cc_start: 0.8774 (mtt-85) cc_final: 0.8163 (mtt-85) REVERT: A 309 VAL cc_start: 0.8343 (p) cc_final: 0.8130 (m) REVERT: A 329 VAL cc_start: 0.8435 (t) cc_final: 0.7956 (p) REVERT: A 333 ASP cc_start: 0.7637 (p0) cc_final: 0.7428 (p0) REVERT: A 342 LYS cc_start: 0.8612 (mttt) cc_final: 0.7928 (mttt) REVERT: A 345 ARG cc_start: 0.7717 (mmm160) cc_final: 0.7441 (mmp80) REVERT: A 348 GLN cc_start: 0.7279 (mp10) cc_final: 0.6953 (mp10) REVERT: A 363 TYR cc_start: 0.7860 (m-80) cc_final: 0.7403 (m-10) REVERT: A 377 VAL cc_start: 0.8514 (m) cc_final: 0.8247 (p) REVERT: A 396 ARG cc_start: 0.8188 (ttp-110) cc_final: 0.7624 (ttp-110) REVERT: A 397 LEU cc_start: 0.8939 (mt) cc_final: 0.8555 (mt) REVERT: A 400 LYS cc_start: 0.8620 (ptpt) cc_final: 0.7954 (ptpt) REVERT: A 401 PHE cc_start: 0.8552 (t80) cc_final: 0.7853 (t80) REVERT: A 402 ASP cc_start: 0.8064 (m-30) cc_final: 0.7785 (m-30) REVERT: A 404 MET cc_start: 0.8329 (mtm) cc_final: 0.7848 (mtm) REVERT: A 405 TYR cc_start: 0.8185 (t80) cc_final: 0.7424 (t80) REVERT: A 407 LYS cc_start: 0.8733 (mmmt) cc_final: 0.8187 (mmmt) REVERT: A 408 ARG cc_start: 0.7937 (mmt180) cc_final: 0.7269 (mmt180) REVERT: A 424 PHE cc_start: 0.8417 (m-10) cc_final: 0.8117 (m-10) REVERT: A 426 GLU cc_start: 0.7735 (mm-30) cc_final: 0.7442 (mm-30) REVERT: A 430 ASP cc_start: 0.8648 (t0) cc_final: 0.8326 (t0) REVERT: A 437 ASP cc_start: 0.6097 (m-30) cc_final: 0.5783 (m-30) REVERT: A 440 GLU cc_start: 0.7392 (mt-10) cc_final: 0.6754 (mt-10) REVERT: J 3 GLU cc_start: 0.6589 (mp0) cc_final: 0.6383 (mp0) REVERT: J 4 ILE cc_start: 0.8166 (mt) cc_final: 0.7746 (mt) REVERT: J 20 PHE cc_start: 0.8539 (t80) cc_final: 0.8255 (t80) REVERT: J 45 GLU cc_start: 0.7573 (tm-30) cc_final: 0.7310 (tm-30) REVERT: J 58 LYS cc_start: 0.7886 (tttt) cc_final: 0.7574 (tttt) REVERT: J 59 TYR cc_start: 0.7324 (m-80) cc_final: 0.7119 (m-80) REVERT: J 62 ARG cc_start: 0.7325 (ptp-110) cc_final: 0.7058 (ptp-110) REVERT: J 64 ILE cc_start: 0.7730 (mp) cc_final: 0.7462 (mp) REVERT: J 67 ASP cc_start: 0.6815 (t70) cc_final: 0.6017 (t70) REVERT: J 73 MET cc_start: 0.8451 (mmt) cc_final: 0.7647 (mmt) REVERT: J 74 ASP cc_start: 0.7885 (m-30) cc_final: 0.7468 (m-30) REVERT: J 84 ILE cc_start: 0.8214 (tt) cc_final: 0.7944 (tp) REVERT: J 90 PHE cc_start: 0.8124 (m-80) cc_final: 0.6976 (m-80) REVERT: J 100 ASN cc_start: 0.8570 (t0) cc_final: 0.8129 (t0) REVERT: J 106 TYR cc_start: 0.8478 (m-80) cc_final: 0.7473 (m-80) REVERT: J 108 GLU cc_start: 0.8120 (mm-30) cc_final: 0.7357 (tp30) REVERT: J 121 ARG cc_start: 0.8484 (mtt180) cc_final: 0.8141 (ptp-110) REVERT: J 122 LYS cc_start: 0.8256 (ttpp) cc_final: 0.7747 (ttpp) REVERT: J 128 ASP cc_start: 0.7661 (p0) cc_final: 0.7454 (p0) REVERT: J 136 THR cc_start: 0.6801 (p) cc_final: 0.6430 (p) REVERT: J 143 THR cc_start: 0.8433 (t) cc_final: 0.7845 (t) REVERT: J 159 TYR cc_start: 0.8297 (m-10) cc_final: 0.7383 (m-10) REVERT: J 160 PRO cc_start: 0.8780 (Cg_endo) cc_final: 0.8571 (Cg_exo) REVERT: J 181 GLU cc_start: 0.7395 (mt-10) cc_final: 0.6521 (mt-10) REVERT: J 184 ASN cc_start: 0.8496 (p0) cc_final: 0.7650 (p0) REVERT: J 194 GLU cc_start: 0.6792 (pm20) cc_final: 0.6563 (pm20) REVERT: J 195 ASN cc_start: 0.7421 (m-40) cc_final: 0.7195 (m-40) REVERT: J 209 ASP cc_start: 0.6889 (t70) cc_final: 0.6409 (t0) REVERT: J 233 MET cc_start: 0.8199 (mmm) cc_final: 0.7071 (mmm) REVERT: J 250 LEU cc_start: 0.8534 (mt) cc_final: 0.8202 (tp) REVERT: J 251 ARG cc_start: 0.8107 (tpt-90) cc_final: 0.7529 (tpt-90) REVERT: J 257 MET cc_start: 0.7415 (mmm) cc_final: 0.5771 (mmm) REVERT: J 297 LYS cc_start: 0.7937 (mmmt) cc_final: 0.7056 (mmmt) REVERT: J 323 MET cc_start: 0.7912 (mmp) cc_final: 0.7009 (mmp) REVERT: J 324 LYS cc_start: 0.8337 (ttpt) cc_final: 0.7649 (ttpt) REVERT: J 325 GLU cc_start: 0.7845 (pt0) cc_final: 0.7467 (pt0) REVERT: J 327 ASP cc_start: 0.8490 (m-30) cc_final: 0.7941 (m-30) REVERT: J 330 MET cc_start: 0.8144 (mmp) cc_final: 0.7815 (mmt) REVERT: J 345 ILE cc_start: 0.8519 (tp) cc_final: 0.8242 (tp) REVERT: J 347 ASN cc_start: 0.7455 (t0) cc_final: 0.7224 (t0) REVERT: J 367 PHE cc_start: 0.7815 (t80) cc_final: 0.7033 (t80) REVERT: J 375 GLN cc_start: 0.7828 (tm130) cc_final: 0.7409 (tm-30) REVERT: J 379 LYS cc_start: 0.8045 (mmtm) cc_final: 0.7605 (mmtm) REVERT: J 381 ILE cc_start: 0.8593 (mm) cc_final: 0.8390 (mm) REVERT: J 389 PHE cc_start: 0.7954 (t80) cc_final: 0.7569 (t80) REVERT: J 390 ARG cc_start: 0.8231 (ttp80) cc_final: 0.8007 (ttp80) REVERT: J 391 ARG cc_start: 0.7051 (ttt180) cc_final: 0.6781 (ttt180) REVERT: J 392 LYS cc_start: 0.7790 (mtmm) cc_final: 0.7253 (mmtm) REVERT: J 404 ASP cc_start: 0.8371 (t0) cc_final: 0.7921 (t0) REVERT: J 407 GLU cc_start: 0.8192 (mt-10) cc_final: 0.7681 (mt-10) REVERT: J 410 GLU cc_start: 0.8015 (mt-10) cc_final: 0.7328 (mt-10) REVERT: J 414 ASN cc_start: 0.8727 (m-40) cc_final: 0.8114 (m-40) REVERT: J 415 MET cc_start: 0.8262 (tpt) cc_final: 0.7386 (mmm) REVERT: J 421 GLU cc_start: 0.7970 (tt0) cc_final: 0.7502 (tt0) REVERT: J 423 GLN cc_start: 0.8663 (tp-100) cc_final: 0.8137 (tp-100) REVERT: S 32 LYS cc_start: 0.8035 (mmpt) cc_final: 0.7515 (mtmm) REVERT: S 36 GLU cc_start: 0.7547 (mt-10) cc_final: 0.6855 (mt-10) REVERT: S 41 ILE cc_start: 0.6904 (mm) cc_final: 0.6435 (mm) REVERT: S 60 GLN cc_start: 0.8078 (tp40) cc_final: 0.7790 (tp-100) REVERT: S 103 GLU cc_start: 0.8005 (tp30) cc_final: 0.7470 (tp30) REVERT: S 110 ARG cc_start: 0.6353 (mtt-85) cc_final: 0.6131 (mtp85) REVERT: S 131 LYS cc_start: 0.7330 (mtmm) cc_final: 0.6599 (mtmm) REVERT: S 178 GLU cc_start: 0.8343 (mt-10) cc_final: 0.7628 (mt-10) REVERT: S 210 ILE cc_start: 0.7480 (mp) cc_final: 0.7199 (mp) REVERT: S 217 THR cc_start: 0.5945 (m) cc_final: 0.5104 (m) REVERT: S 220 GLU cc_start: 0.4979 (mm-30) cc_final: 0.4663 (mm-30) REVERT: S 227 LEU cc_start: 0.8030 (tp) cc_final: 0.7773 (tp) REVERT: S 229 LEU cc_start: 0.7540 (mp) cc_final: 0.7308 (mp) REVERT: S 307 TYR cc_start: 0.6729 (t80) cc_final: 0.5902 (t80) REVERT: S 311 GLU cc_start: 0.8672 (pm20) cc_final: 0.8317 (pm20) REVERT: B 11 GLN cc_start: 0.7804 (tp-100) cc_final: 0.7019 (tm-30) REVERT: B 15 GLN cc_start: 0.8668 (mm-40) cc_final: 0.8453 (mm110) REVERT: B 24 TYR cc_start: 0.8355 (m-80) cc_final: 0.7387 (m-80) REVERT: B 31 GLN cc_start: 0.8231 (mt0) cc_final: 0.7759 (mp10) REVERT: B 36 MET cc_start: 0.7316 (tmm) cc_final: 0.6501 (tmm) REVERT: B 75 ASP cc_start: 0.6811 (t0) cc_final: 0.6382 (t0) REVERT: B 80 VAL cc_start: 0.9201 (m) cc_final: 0.8995 (m) REVERT: B 83 GLU cc_start: 0.7929 (tm-30) cc_final: 0.7566 (tm-30) REVERT: B 84 ILE cc_start: 0.8700 (mm) cc_final: 0.7982 (mm) REVERT: B 97 GLN cc_start: 0.7541 (mm110) cc_final: 0.7202 (mm-40) REVERT: B 120 ILE cc_start: 0.8527 (tp) cc_final: 0.8225 (mm) REVERT: B 158 LEU cc_start: 0.8433 (tp) cc_final: 0.8147 (tp) REVERT: B 170 LYS cc_start: 0.8334 (mmtp) cc_final: 0.7966 (mmtp) REVERT: B 172 LYS cc_start: 0.8415 (mtmm) cc_final: 0.7999 (mtmm) REVERT: B 178 TYR cc_start: 0.5180 (m-10) cc_final: 0.4102 (m-10) REVERT: B 189 GLU cc_start: 0.7746 (pm20) cc_final: 0.7256 (pm20) REVERT: B 192 ASN cc_start: 0.8472 (m110) cc_final: 0.8164 (m110) REVERT: B 205 ASP cc_start: 0.7342 (m-30) cc_final: 0.6558 (m-30) REVERT: B 209 MET cc_start: 0.6720 (mmp) cc_final: 0.6507 (mmp) REVERT: B 218 ILE cc_start: 0.8662 (mp) cc_final: 0.8376 (mp) REVERT: B 222 ASN cc_start: 0.8405 (m-40) cc_final: 0.8059 (m-40) REVERT: B 230 TYR cc_start: 0.7915 (m-10) cc_final: 0.7376 (m-10) REVERT: B 232 ASN cc_start: 0.8362 (m-40) cc_final: 0.8146 (m-40) REVERT: B 265 LEU cc_start: 0.8306 (mm) cc_final: 0.8004 (mm) REVERT: B 277 THR cc_start: 0.7052 (t) cc_final: 0.6500 (p) REVERT: B 282 ILE cc_start: 0.7878 (tp) cc_final: 0.7531 (tp) REVERT: B 286 LYS cc_start: 0.7922 (ttmt) cc_final: 0.7640 (ttmt) REVERT: B 299 ASN cc_start: 0.8047 (m110) cc_final: 0.7844 (m110) REVERT: B 308 MET cc_start: 0.7863 (mmt) cc_final: 0.7286 (mmt) REVERT: B 312 ASP cc_start: 0.7331 (t0) cc_final: 0.6803 (t0) REVERT: B 315 HIS cc_start: 0.8013 (m90) cc_final: 0.7632 (m90) REVERT: B 317 LYS cc_start: 0.7902 (mttm) cc_final: 0.6919 (mttm) REVERT: B 318 TYR cc_start: 0.8233 (m-10) cc_final: 0.7860 (m-10) REVERT: B 319 MET cc_start: 0.7378 (mmm) cc_final: 0.6118 (mmm) REVERT: B 322 CYS cc_start: 0.7489 (t) cc_final: 0.6549 (t) REVERT: B 323 LEU cc_start: 0.8323 (mm) cc_final: 0.8108 (mm) REVERT: B 338 ILE cc_start: 0.8370 (pt) cc_final: 0.8112 (pt) REVERT: B 344 LYS cc_start: 0.7018 (ttmm) cc_final: 0.6617 (ttmm) REVERT: B 355 THR cc_start: 0.7460 (t) cc_final: 0.6965 (t) REVERT: B 358 LYS cc_start: 0.7542 (tmtt) cc_final: 0.7117 (tmtt) REVERT: B 378 GLN cc_start: 0.7953 (mm110) cc_final: 0.7572 (mm110) REVERT: B 385 SER cc_start: 0.7889 (t) cc_final: 0.7687 (m) REVERT: B 386 ASN cc_start: 0.7212 (t0) cc_final: 0.6313 (t0) REVERT: B 400 LYS cc_start: 0.7934 (ptpp) cc_final: 0.7567 (pttm) REVERT: B 404 MET cc_start: 0.8243 (mtm) cc_final: 0.7617 (mmm) REVERT: B 405 TYR cc_start: 0.7545 (t80) cc_final: 0.7012 (t80) REVERT: B 410 PHE cc_start: 0.8418 (m-80) cc_final: 0.7731 (m-80) REVERT: B 412 HIS cc_start: 0.7962 (p90) cc_final: 0.7546 (p-80) REVERT: B 414 TYR cc_start: 0.8663 (m-10) cc_final: 0.8457 (m-10) REVERT: B 419 MET cc_start: 0.5352 (tpp) cc_final: 0.4954 (tpt) REVERT: B 426 GLU cc_start: 0.8107 (mm-30) cc_final: 0.7813 (mm-30) REVERT: B 435 GLU cc_start: 0.8158 (mm-30) cc_final: 0.7838 (mm-30) REVERT: B 440 GLU cc_start: 0.7943 (mt-10) cc_final: 0.7300 (mt-10) REVERT: K 21 TRP cc_start: 0.8414 (m100) cc_final: 0.7817 (m100) REVERT: K 22 GLU cc_start: 0.8254 (mt-10) cc_final: 0.7946 (mt-10) REVERT: K 27 GLU cc_start: 0.8284 (mt-10) cc_final: 0.7899 (mt-10) REVERT: K 48 ASN cc_start: 0.7592 (p0) cc_final: 0.7074 (p0) REVERT: K 67 ASP cc_start: 0.7061 (t70) cc_final: 0.6332 (t70) REVERT: K 73 MET cc_start: 0.8033 (mmt) cc_final: 0.7429 (mmt) REVERT: K 108 GLU cc_start: 0.8017 (mm-30) cc_final: 0.7737 (mm-30) REVERT: K 112 LEU cc_start: 0.8821 (tp) cc_final: 0.8616 (tp) REVERT: K 123 GLU cc_start: 0.9161 (mm-30) cc_final: 0.8721 (mm-30) REVERT: K 133 PHE cc_start: 0.7223 (m-80) cc_final: 0.7015 (m-80) REVERT: K 147 MET cc_start: 0.7221 (tmm) cc_final: 0.6418 (tmm) REVERT: K 150 LEU cc_start: 0.8128 (tp) cc_final: 0.7722 (tp) REVERT: K 153 SER cc_start: 0.7804 (m) cc_final: 0.7467 (t) REVERT: K 154 LYS cc_start: 0.8088 (mmmt) cc_final: 0.7337 (mmmt) REVERT: K 155 ILE cc_start: 0.8639 (pt) cc_final: 0.8416 (mt) REVERT: K 164 MET cc_start: 0.6200 (mtp) cc_final: 0.5242 (mtp) REVERT: K 165 ASN cc_start: 0.7053 (t0) cc_final: 0.6111 (t0) REVERT: K 170 MET cc_start: 0.7664 (tpt) cc_final: 0.7368 (mmp) REVERT: K 181 GLU cc_start: 0.7949 (mt-10) cc_final: 0.7427 (mt-10) REVERT: K 187 LEU cc_start: 0.8353 (mt) cc_final: 0.7994 (mt) REVERT: K 194 GLU cc_start: 0.8273 (mm-30) cc_final: 0.8011 (mm-30) REVERT: K 195 ASN cc_start: 0.7642 (m-40) cc_final: 0.6863 (m-40) REVERT: K 198 GLU cc_start: 0.7114 (pt0) cc_final: 0.6850 (pt0) REVERT: K 207 LEU cc_start: 0.8527 (mt) cc_final: 0.8195 (mt) REVERT: K 209 ASP cc_start: 0.8016 (t70) cc_final: 0.7787 (t70) REVERT: K 213 ARG cc_start: 0.8211 (mtm110) cc_final: 0.7791 (mtm110) REVERT: K 216 LYS cc_start: 0.8502 (pttp) cc_final: 0.8279 (pttp) REVERT: K 233 MET cc_start: 0.8669 (mtp) cc_final: 0.8453 (mtp) REVERT: K 251 ARG cc_start: 0.7572 (mtp85) cc_final: 0.7008 (mtp85) REVERT: K 260 PHE cc_start: 0.8080 (m-80) cc_final: 0.7733 (m-80) REVERT: K 262 ARG cc_start: 0.7641 (mtp85) cc_final: 0.7298 (mtp85) REVERT: K 266 PHE cc_start: 0.6928 (m-10) cc_final: 0.6466 (m-10) REVERT: K 270 PHE cc_start: 0.7278 (t80) cc_final: 0.6994 (t80) REVERT: K 280 GLN cc_start: 0.8313 (mp10) cc_final: 0.8093 (mp10) REVERT: K 290 THR cc_start: 0.8458 (m) cc_final: 0.8157 (t) REVERT: K 299 MET cc_start: 0.6206 (ptp) cc_final: 0.5851 (ptp) REVERT: K 317 PHE cc_start: 0.8018 (m-80) cc_final: 0.7750 (m-10) REVERT: K 320 ARG cc_start: 0.7117 (mmm160) cc_final: 0.6745 (mmm160) REVERT: K 323 MET cc_start: 0.8313 (mmp) cc_final: 0.8052 (mmp) REVERT: K 326 VAL cc_start: 0.8785 (t) cc_final: 0.7968 (t) REVERT: K 327 ASP cc_start: 0.8413 (m-30) cc_final: 0.7664 (p0) REVERT: K 329 GLN cc_start: 0.8396 (mm-40) cc_final: 0.7916 (mm110) REVERT: K 330 MET cc_start: 0.8358 (mmp) cc_final: 0.7979 (mmp) REVERT: K 331 LEU cc_start: 0.8499 (tp) cc_final: 0.8252 (tp) REVERT: K 344 TRP cc_start: 0.7714 (p-90) cc_final: 0.7337 (p-90) REVERT: K 350 LYS cc_start: 0.7993 (tptp) cc_final: 0.7310 (tptp) REVERT: K 362 LYS cc_start: 0.7731 (mmmt) cc_final: 0.6956 (mmmt) REVERT: K 363 MET cc_start: 0.7905 (mmm) cc_final: 0.7396 (mmm) REVERT: K 383 GLU cc_start: 0.8310 (mm-30) cc_final: 0.7772 (mm-30) REVERT: K 385 PHE cc_start: 0.8016 (t80) cc_final: 0.7756 (t80) REVERT: K 389 PHE cc_start: 0.8062 (t80) cc_final: 0.7662 (t80) REVERT: K 398 TYR cc_start: 0.6931 (m-80) cc_final: 0.6706 (m-80) REVERT: K 403 MET cc_start: 0.5911 (ttt) cc_final: 0.5694 (ttt) REVERT: K 404 ASP cc_start: 0.7609 (t0) cc_final: 0.6791 (p0) REVERT: K 408 PHE cc_start: 0.8516 (m-80) cc_final: 0.7580 (m-80) REVERT: K 415 MET cc_start: 0.7897 (tpt) cc_final: 0.7643 (tpt) REVERT: K 421 GLU cc_start: 0.7962 (tt0) cc_final: 0.7203 (tt0) REVERT: T 22 GLU cc_start: 0.6739 (mt-10) cc_final: 0.6443 (mt-10) REVERT: T 41 ILE cc_start: 0.6512 (mm) cc_final: 0.6239 (mm) REVERT: T 46 TYR cc_start: 0.5484 (m-80) cc_final: 0.4395 (m-80) REVERT: T 60 GLN cc_start: 0.6685 (mt0) cc_final: 0.6357 (mt0) REVERT: T 86 GLN cc_start: 0.4822 (OUTLIER) cc_final: 0.4580 (tm130) REVERT: T 93 HIS cc_start: 0.5580 (m-70) cc_final: 0.5188 (m-70) REVERT: T 95 MET cc_start: 0.7489 (mtt) cc_final: 0.7254 (mtt) REVERT: T 178 GLU cc_start: 0.7820 (mt-10) cc_final: 0.7557 (mt-10) REVERT: T 180 MET cc_start: 0.7620 (tmm) cc_final: 0.7311 (tmm) REVERT: T 213 LYS cc_start: 0.7680 (tmmt) cc_final: 0.7277 (tmmt) REVERT: T 228 TYR cc_start: 0.6030 (m-80) cc_final: 0.5071 (m-80) REVERT: T 256 LYS cc_start: 0.7705 (mmmt) cc_final: 0.7144 (mmmt) REVERT: T 289 SER cc_start: 0.6657 (p) cc_final: 0.6374 (t) REVERT: T 296 THR cc_start: 0.3965 (m) cc_final: 0.3311 (m) REVERT: T 313 LYS cc_start: 0.7729 (mtmt) cc_final: 0.7476 (tppt) REVERT: T 316 LEU cc_start: 0.8428 (mp) cc_final: 0.8065 (mp) REVERT: T 321 ARG cc_start: 0.7677 (mtm180) cc_final: 0.7119 (mtm180) REVERT: C 11 GLN cc_start: 0.7549 (tp-100) cc_final: 0.7187 (tp-100) REVERT: C 23 LEU cc_start: 0.8568 (tp) cc_final: 0.8272 (tp) REVERT: C 83 GLU cc_start: 0.8074 (tm-30) cc_final: 0.7786 (tm-30) REVERT: C 84 ILE cc_start: 0.8774 (mt) cc_final: 0.8401 (mt) REVERT: C 96 GLU cc_start: 0.7604 (tt0) cc_final: 0.6928 (tt0) REVERT: C 97 GLN cc_start: 0.7370 (mp10) cc_final: 0.6170 (mp10) REVERT: C 134 GLN cc_start: 0.7513 (tm-30) cc_final: 0.7118 (tm-30) REVERT: C 160 MET cc_start: 0.7973 (tmm) cc_final: 0.7592 (tmm) REVERT: C 206 CYS cc_start: 0.7006 (p) cc_final: 0.6566 (p) REVERT: C 222 ASN cc_start: 0.8547 (m-40) cc_final: 0.8304 (m-40) REVERT: C 230 TYR cc_start: 0.7648 (m-10) cc_final: 0.6451 (m-80) REVERT: C 265 LEU cc_start: 0.8309 (mm) cc_final: 0.7770 (mm) REVERT: C 271 ILE cc_start: 0.8222 (tp) cc_final: 0.7936 (tp) REVERT: C 277 THR cc_start: 0.7626 (t) cc_final: 0.6679 (p) REVERT: C 282 ILE cc_start: 0.7510 (tp) cc_final: 0.7268 (tp) REVERT: C 286 LYS cc_start: 0.8342 (mtpt) cc_final: 0.7908 (mtpt) REVERT: C 290 GLU cc_start: 0.6736 (tm-30) cc_final: 0.5872 (tm-30) REVERT: C 308 MET cc_start: 0.7637 (mpp) cc_final: 0.6974 (mpp) REVERT: C 312 ASP cc_start: 0.7430 (t0) cc_final: 0.7022 (t0) REVERT: C 315 HIS cc_start: 0.8115 (m90) cc_final: 0.7825 (m90) REVERT: C 319 MET cc_start: 0.7740 (ttt) cc_final: 0.7032 (ttt) REVERT: C 349 PHE cc_start: 0.8161 (m-80) cc_final: 0.7664 (m-10) REVERT: C 357 PHE cc_start: 0.6925 (m-80) cc_final: 0.6478 (m-80) REVERT: C 379 ARG cc_start: 0.8087 (ptp90) cc_final: 0.7141 (mtm110) REVERT: C 386 ASN cc_start: 0.7688 (t0) cc_final: 0.5313 (t0) REVERT: C 402 ASP cc_start: 0.8217 (m-30) cc_final: 0.7913 (m-30) REVERT: C 403 LEU cc_start: 0.8307 (mt) cc_final: 0.8034 (mt) REVERT: C 410 PHE cc_start: 0.7915 (m-80) cc_final: 0.7374 (m-80) REVERT: C 414 TYR cc_start: 0.8651 (m-80) cc_final: 0.8185 (m-80) REVERT: C 426 GLU cc_start: 0.8267 (mm-30) cc_final: 0.7887 (mm-30) REVERT: C 431 MET cc_start: 0.8228 (mmm) cc_final: 0.7995 (mmm) REVERT: C 440 GLU cc_start: 0.7367 (mt-10) cc_final: 0.6920 (mt-10) REVERT: L 11 GLN cc_start: 0.7327 (mt0) cc_final: 0.6986 (mt0) REVERT: L 14 ASN cc_start: 0.8126 (m-40) cc_final: 0.7590 (m-40) REVERT: L 20 PHE cc_start: 0.8721 (t80) cc_final: 0.7926 (t80) REVERT: L 21 TRP cc_start: 0.8563 (m100) cc_final: 0.7960 (m100) REVERT: L 22 GLU cc_start: 0.8394 (mt-10) cc_final: 0.8100 (tm-30) REVERT: L 24 ILE cc_start: 0.9007 (pt) cc_final: 0.8626 (pt) REVERT: L 27 GLU cc_start: 0.8384 (mt-10) cc_final: 0.8076 (mt-10) REVERT: L 62 ARG cc_start: 0.6960 (ttm110) cc_final: 0.6194 (ttm110) REVERT: L 67 ASP cc_start: 0.7255 (t70) cc_final: 0.6829 (t70) REVERT: L 73 MET cc_start: 0.8082 (mmt) cc_final: 0.7429 (mmt) REVERT: L 92 PHE cc_start: 0.8467 (p90) cc_final: 0.8118 (p90) REVERT: L 95 SER cc_start: 0.7913 (m) cc_final: 0.7660 (m) REVERT: L 123 GLU cc_start: 0.8837 (mm-30) cc_final: 0.8614 (mm-30) REVERT: L 134 GLN cc_start: 0.6662 (tp-100) cc_final: 0.5685 (tp-100) REVERT: L 136 THR cc_start: 0.6671 (p) cc_final: 0.6468 (p) REVERT: L 147 MET cc_start: 0.7434 (tmm) cc_final: 0.6989 (tmm) REVERT: L 154 LYS cc_start: 0.8577 (mmtt) cc_final: 0.7669 (mmtt) REVERT: L 157 GLU cc_start: 0.8465 (mt-10) cc_final: 0.8067 (mt-10) REVERT: L 165 ASN cc_start: 0.7198 (t0) cc_final: 0.5474 (t0) REVERT: L 181 GLU cc_start: 0.7692 (mt-10) cc_final: 0.7103 (mt-10) REVERT: L 187 LEU cc_start: 0.8268 (mt) cc_final: 0.7704 (mt) REVERT: L 191 GLN cc_start: 0.7865 (mp-120) cc_final: 0.7246 (mp-120) REVERT: L 195 ASN cc_start: 0.8004 (m110) cc_final: 0.7765 (m-40) REVERT: L 197 ASP cc_start: 0.7139 (m-30) cc_final: 0.6767 (m-30) REVERT: L 198 GLU cc_start: 0.7324 (pt0) cc_final: 0.7114 (pt0) REVERT: L 200 TYR cc_start: 0.7559 (m-80) cc_final: 0.7281 (m-80) REVERT: L 207 LEU cc_start: 0.8609 (mt) cc_final: 0.8311 (mt) REVERT: L 213 ARG cc_start: 0.6833 (mtm110) cc_final: 0.5705 (mtm110) REVERT: L 225 LEU cc_start: 0.9303 (mt) cc_final: 0.9020 (mt) REVERT: L 227 HIS cc_start: 0.7518 (m90) cc_final: 0.7092 (m90) REVERT: L 233 MET cc_start: 0.8756 (mtp) cc_final: 0.8359 (mtp) REVERT: L 241 ARG cc_start: 0.7640 (mtm110) cc_final: 0.7016 (ttp-110) REVERT: L 253 LEU cc_start: 0.8571 (mp) cc_final: 0.8252 (mp) REVERT: L 257 MET cc_start: 0.7356 (mmm) cc_final: 0.7085 (mmm) REVERT: L 263 LEU cc_start: 0.8519 (mt) cc_final: 0.8228 (mm) REVERT: L 267 MET cc_start: 0.6874 (ttm) cc_final: 0.6651 (ttm) REVERT: L 270 PHE cc_start: 0.7324 (t80) cc_final: 0.6764 (t80) REVERT: L 289 LEU cc_start: 0.8988 (mt) cc_final: 0.8130 (mt) REVERT: L 292 GLN cc_start: 0.8219 (tt0) cc_final: 0.7741 (tt0) REVERT: L 293 MET cc_start: 0.7591 (mmm) cc_final: 0.6860 (mmm) REVERT: L 297 LYS cc_start: 0.8653 (mmmt) cc_final: 0.8386 (tmmt) REVERT: L 323 MET cc_start: 0.7813 (mmp) cc_final: 0.6018 (mmp) REVERT: L 324 LYS cc_start: 0.7931 (ttpt) cc_final: 0.7453 (ttpt) REVERT: L 327 ASP cc_start: 0.8581 (m-30) cc_final: 0.8256 (m-30) REVERT: L 335 ASN cc_start: 0.8541 (p0) cc_final: 0.8293 (p0) REVERT: L 336 LYS cc_start: 0.8399 (mtmt) cc_final: 0.8077 (mtmm) REVERT: L 341 PHE cc_start: 0.7470 (m-80) cc_final: 0.7059 (m-80) REVERT: L 342 VAL cc_start: 0.7853 (m) cc_final: 0.7641 (m) REVERT: L 347 ASN cc_start: 0.7300 (t0) cc_final: 0.6764 (t0) REVERT: L 362 LYS cc_start: 0.7620 (mmmt) cc_final: 0.7234 (mmmt) REVERT: L 363 MET cc_start: 0.8274 (tpt) cc_final: 0.8042 (mmm) REVERT: L 390 ARG cc_start: 0.8086 (ptt90) cc_final: 0.7317 (ptt90) REVERT: L 398 TYR cc_start: 0.7146 (m-80) cc_final: 0.6217 (m-80) REVERT: L 403 MET cc_start: 0.6725 (ttt) cc_final: 0.5669 (ttt) REVERT: L 406 MET cc_start: 0.8210 (mtt) cc_final: 0.8003 (mtt) REVERT: L 407 GLU cc_start: 0.8173 (mt-10) cc_final: 0.7718 (mt-10) REVERT: L 408 PHE cc_start: 0.8066 (m-80) cc_final: 0.6892 (m-80) REVERT: L 415 MET cc_start: 0.8089 (tpt) cc_final: 0.7872 (tpt) REVERT: L 424 GLN cc_start: 0.8301 (pp30) cc_final: 0.8072 (pp30) REVERT: U 22 GLU cc_start: 0.6440 (mt-10) cc_final: 0.5960 (mt-10) REVERT: U 32 LYS cc_start: 0.6240 (tptp) cc_final: 0.6022 (tptp) REVERT: U 46 TYR cc_start: 0.5399 (m-80) cc_final: 0.5057 (m-80) REVERT: U 86 GLN cc_start: 0.5366 (OUTLIER) cc_final: 0.5102 (tm130) REVERT: U 95 MET cc_start: 0.8206 (mmm) cc_final: 0.7485 (mmm) REVERT: U 103 GLU cc_start: 0.7967 (tp30) cc_final: 0.7622 (tp30) REVERT: U 228 TYR cc_start: 0.5622 (m-80) cc_final: 0.4978 (m-80) REVERT: U 256 LYS cc_start: 0.7627 (mmmt) cc_final: 0.7113 (mmmt) REVERT: U 268 LEU cc_start: 0.8316 (mt) cc_final: 0.8106 (mt) REVERT: U 307 TYR cc_start: 0.7942 (t80) cc_final: 0.7103 (t80) REVERT: U 321 ARG cc_start: 0.7414 (mtm180) cc_final: 0.6911 (mtm180) REVERT: D 11 GLN cc_start: 0.6852 (tp-100) cc_final: 0.5349 (tm-30) REVERT: D 15 GLN cc_start: 0.8521 (mm-40) cc_final: 0.7660 (mm-40) REVERT: D 16 MET cc_start: 0.8299 (mtm) cc_final: 0.7203 (mtm) REVERT: D 31 GLN cc_start: 0.7657 (mt0) cc_final: 0.7157 (mt0) REVERT: D 72 VAL cc_start: 0.7645 (m) cc_final: 0.7196 (p) REVERT: D 92 LEU cc_start: 0.7989 (mt) cc_final: 0.7566 (mt) REVERT: D 97 GLN cc_start: 0.8140 (mp10) cc_final: 0.7877 (mp10) REVERT: D 119 GLU cc_start: 0.8122 (pp20) cc_final: 0.7867 (pp20) REVERT: D 134 GLN cc_start: 0.8323 (tm-30) cc_final: 0.8020 (tp40) REVERT: D 160 MET cc_start: 0.7943 (tmm) cc_final: 0.7482 (tmm) REVERT: D 178 TYR cc_start: 0.6138 (m-10) cc_final: 0.5684 (m-10) REVERT: D 182 GLN cc_start: 0.8135 (pp30) cc_final: 0.7594 (pp30) REVERT: D 192 ASN cc_start: 0.8451 (m110) cc_final: 0.8234 (m110) REVERT: D 205 ASP cc_start: 0.6844 (m-30) cc_final: 0.6364 (m-30) REVERT: D 220 ARG cc_start: 0.7256 (ttt-90) cc_final: 0.6849 (mmm-85) REVERT: D 222 ASN cc_start: 0.8686 (m-40) cc_final: 0.8208 (m-40) REVERT: D 232 ASN cc_start: 0.8367 (m-40) cc_final: 0.8097 (m-40) REVERT: D 265 LEU cc_start: 0.8258 (mm) cc_final: 0.8052 (mm) REVERT: D 277 THR cc_start: 0.8040 (t) cc_final: 0.7388 (p) REVERT: D 286 LYS cc_start: 0.8276 (ttmt) cc_final: 0.8024 (ttmm) REVERT: D 290 GLU cc_start: 0.6946 (tm-30) cc_final: 0.6481 (tm-30) REVERT: D 308 MET cc_start: 0.7547 (mmt) cc_final: 0.6368 (mmt) REVERT: D 310 LYS cc_start: 0.8530 (mmmt) cc_final: 0.7901 (mmmt) REVERT: D 311 CYS cc_start: 0.8356 (m) cc_final: 0.7865 (m) REVERT: D 312 ASP cc_start: 0.7336 (t0) cc_final: 0.6890 (t0) REVERT: D 317 LYS cc_start: 0.7729 (mttm) cc_final: 0.7148 (mttm) REVERT: D 319 MET cc_start: 0.7052 (mmm) cc_final: 0.6807 (mmm) REVERT: D 325 TYR cc_start: 0.8030 (m-80) cc_final: 0.7509 (m-80) REVERT: D 349 PHE cc_start: 0.8646 (m-10) cc_final: 0.8303 (m-10) REVERT: D 379 ARG cc_start: 0.8318 (ptp90) cc_final: 0.7921 (mtm180) REVERT: D 386 ASN cc_start: 0.7526 (t0) cc_final: 0.7230 (t0) REVERT: D 400 LYS cc_start: 0.8690 (ptpt) cc_final: 0.8453 (ptpp) REVERT: D 401 PHE cc_start: 0.8379 (t80) cc_final: 0.8062 (t80) REVERT: D 407 LYS cc_start: 0.8600 (mmmt) cc_final: 0.7813 (mttp) REVERT: D 410 PHE cc_start: 0.7878 (m-80) cc_final: 0.7416 (m-80) REVERT: D 413 TRP cc_start: 0.8289 (m100) cc_final: 0.7734 (m100) REVERT: D 421 GLU cc_start: 0.7074 (tp30) cc_final: 0.6430 (tp30) REVERT: D 440 GLU cc_start: 0.7922 (mt-10) cc_final: 0.7171 (mt-10) REVERT: D 443 ILE cc_start: 0.6963 (mt) cc_final: 0.6762 (mt) REVERT: M 11 GLN cc_start: 0.7177 (tt0) cc_final: 0.6250 (tp40) REVERT: M 24 ILE cc_start: 0.8459 (pt) cc_final: 0.8068 (pt) REVERT: M 26 ASP cc_start: 0.8231 (m-30) cc_final: 0.7834 (m-30) REVERT: M 27 GLU cc_start: 0.8633 (mt-10) cc_final: 0.8287 (mt-10) REVERT: M 31 ASP cc_start: 0.7703 (t0) cc_final: 0.7365 (t0) REVERT: M 62 ARG cc_start: 0.6647 (ttm110) cc_final: 0.6214 (ttm110) REVERT: M 69 GLU cc_start: 0.6138 (tm-30) cc_final: 0.5488 (tm-30) REVERT: M 73 MET cc_start: 0.8348 (mmt) cc_final: 0.7489 (mmt) REVERT: M 120 VAL cc_start: 0.8920 (m) cc_final: 0.8638 (t) REVERT: M 122 LYS cc_start: 0.8292 (ttpp) cc_final: 0.7990 (ttpp) REVERT: M 136 THR cc_start: 0.7313 (m) cc_final: 0.7043 (t) REVERT: M 151 LEU cc_start: 0.8363 (pp) cc_final: 0.8060 (pp) REVERT: M 164 MET cc_start: 0.7250 (mtp) cc_final: 0.6104 (mtp) REVERT: M 184 ASN cc_start: 0.8321 (m-40) cc_final: 0.7852 (m-40) REVERT: M 195 ASN cc_start: 0.8437 (m-40) cc_final: 0.7402 (m110) REVERT: M 198 GLU cc_start: 0.6400 (pt0) cc_final: 0.5518 (pt0) REVERT: M 202 ILE cc_start: 0.6567 (mt) cc_final: 0.6166 (mt) REVERT: M 215 LEU cc_start: 0.8374 (tp) cc_final: 0.8087 (tp) REVERT: M 233 MET cc_start: 0.8307 (mtp) cc_final: 0.7947 (mtp) REVERT: M 257 MET cc_start: 0.8036 (mmm) cc_final: 0.6918 (mmm) REVERT: M 267 MET cc_start: 0.7608 (mtp) cc_final: 0.7111 (mtp) REVERT: M 274 THR cc_start: 0.8045 (p) cc_final: 0.7737 (p) REVERT: M 276 ARG cc_start: 0.7973 (tmt170) cc_final: 0.7483 (tmt170) REVERT: M 288 GLU cc_start: 0.7377 (tt0) cc_final: 0.6586 (tt0) REVERT: M 289 LEU cc_start: 0.8604 (mt) cc_final: 0.8393 (mt) REVERT: M 290 THR cc_start: 0.8444 (m) cc_final: 0.7989 (p) REVERT: M 292 GLN cc_start: 0.8648 (tt0) cc_final: 0.8253 (tt0) REVERT: M 299 MET cc_start: 0.6636 (mtm) cc_final: 0.6390 (mtm) REVERT: M 300 MET cc_start: 0.6466 (mpp) cc_final: 0.5895 (mpp) REVERT: M 323 MET cc_start: 0.7864 (mmp) cc_final: 0.7341 (mmp) REVERT: M 324 LYS cc_start: 0.7982 (ttpt) cc_final: 0.7454 (ttpt) REVERT: M 325 GLU cc_start: 0.8356 (pt0) cc_final: 0.7468 (pt0) REVERT: M 327 ASP cc_start: 0.8574 (m-30) cc_final: 0.8207 (m-30) REVERT: M 330 MET cc_start: 0.8497 (mmp) cc_final: 0.8189 (mmp) REVERT: M 337 ASN cc_start: 0.7953 (m110) cc_final: 0.7321 (t0) REVERT: M 359 ARG cc_start: 0.7156 (ttm-80) cc_final: 0.6683 (ttm-80) REVERT: M 362 LYS cc_start: 0.8027 (mmmt) cc_final: 0.7537 (mmmt) REVERT: M 367 PHE cc_start: 0.8036 (t80) cc_final: 0.7519 (t80) REVERT: M 374 ILE cc_start: 0.8101 (tp) cc_final: 0.7852 (tp) REVERT: M 389 PHE cc_start: 0.8375 (t80) cc_final: 0.7243 (t80) REVERT: M 392 LYS cc_start: 0.8331 (mtmm) cc_final: 0.7924 (mtmm) REVERT: M 395 LEU cc_start: 0.8633 (mt) cc_final: 0.8352 (mt) REVERT: M 397 TRP cc_start: 0.7379 (m100) cc_final: 0.7039 (m100) REVERT: M 408 PHE cc_start: 0.8849 (m-10) cc_final: 0.8325 (m-10) REVERT: M 414 ASN cc_start: 0.8351 (m-40) cc_final: 0.7675 (m-40) REVERT: M 415 MET cc_start: 0.7925 (tpt) cc_final: 0.7491 (tpt) REVERT: M 421 GLU cc_start: 0.7992 (tt0) cc_final: 0.7543 (tt0) REVERT: M 424 GLN cc_start: 0.7819 (tm-30) cc_final: 0.7617 (pp30) REVERT: V 22 GLU cc_start: 0.7644 (mt-10) cc_final: 0.7320 (mt-10) REVERT: V 28 LYS cc_start: 0.7053 (mmmm) cc_final: 0.6612 (mmmm) REVERT: V 46 TYR cc_start: 0.6356 (m-80) cc_final: 0.5583 (m-80) REVERT: V 59 GLU cc_start: 0.7323 (mp0) cc_final: 0.6889 (mp0) REVERT: V 93 HIS cc_start: 0.7641 (t-90) cc_final: 0.6687 (t-90) REVERT: V 103 GLU cc_start: 0.7518 (tp30) cc_final: 0.7024 (tp30) REVERT: V 129 HIS cc_start: 0.5294 (m-70) cc_final: 0.5034 (m-70) REVERT: V 180 MET cc_start: 0.7508 (mpp) cc_final: 0.7216 (mpp) REVERT: V 220 GLU cc_start: 0.6123 (mm-30) cc_final: 0.5705 (mm-30) REVERT: V 252 LYS cc_start: 0.7650 (mttt) cc_final: 0.7355 (mttt) REVERT: V 256 LYS cc_start: 0.7385 (mmmt) cc_final: 0.7103 (mmmt) REVERT: V 282 MET cc_start: 0.7485 (tpt) cc_final: 0.6856 (tpt) REVERT: V 284 ARG cc_start: 0.8274 (mtp85) cc_final: 0.7687 (mtp85) REVERT: V 311 GLU cc_start: 0.8129 (pm20) cc_final: 0.7885 (pm20) REVERT: E 3 GLU cc_start: 0.5552 (mp0) cc_final: 0.5320 (mp0) REVERT: E 11 GLN cc_start: 0.7517 (tt0) cc_final: 0.6190 (tp-100) REVERT: E 15 GLN cc_start: 0.8154 (mm110) cc_final: 0.7550 (mt0) REVERT: E 16 MET cc_start: 0.8331 (mtm) cc_final: 0.7261 (mtm) REVERT: E 18 ASN cc_start: 0.7975 (t0) cc_final: 0.7483 (t0) REVERT: E 22 GLU cc_start: 0.7846 (pt0) cc_final: 0.7133 (pt0) REVERT: E 23 LEU cc_start: 0.8489 (tp) cc_final: 0.7157 (tp) REVERT: E 27 GLU cc_start: 0.7978 (mt-10) cc_final: 0.7286 (mt-10) REVERT: E 31 GLN cc_start: 0.7699 (mt0) cc_final: 0.7362 (mt0) REVERT: E 36 MET cc_start: 0.7264 (ppp) cc_final: 0.6100 (ppp) REVERT: E 104 ASP cc_start: 0.5553 (t0) cc_final: 0.5242 (t0) REVERT: E 107 ASN cc_start: 0.7178 (t0) cc_final: 0.6788 (t0) REVERT: E 125 LEU cc_start: 0.8255 (mm) cc_final: 0.8003 (mm) REVERT: E 160 MET cc_start: 0.7797 (tmm) cc_final: 0.7328 (tmm) REVERT: E 161 GLU cc_start: 0.8001 (tt0) cc_final: 0.7369 (tt0) REVERT: E 163 LEU cc_start: 0.8709 (pp) cc_final: 0.8120 (tt) REVERT: E 170 LYS cc_start: 0.8570 (mttm) cc_final: 0.7828 (mppt) REVERT: E 187 VAL cc_start: 0.8581 (m) cc_final: 0.7805 (t) REVERT: E 189 GLU cc_start: 0.8272 (mt-10) cc_final: 0.7563 (mt-10) REVERT: E 194 ILE cc_start: 0.8532 (tt) cc_final: 0.8228 (tt) REVERT: E 203 HIS cc_start: 0.7823 (m170) cc_final: 0.7163 (m-70) REVERT: E 232 ASN cc_start: 0.9091 (m110) cc_final: 0.7481 (m-40) REVERT: E 235 ARG cc_start: 0.8644 (mtt-85) cc_final: 0.7864 (mtt-85) REVERT: E 258 LEU cc_start: 0.8418 (mt) cc_final: 0.8216 (mt) REVERT: E 261 PHE cc_start: 0.8405 (m-80) cc_final: 0.7601 (m-80) REVERT: E 272 HIS cc_start: 0.7183 (p90) cc_final: 0.6269 (p90) REVERT: E 291 GLN cc_start: 0.6913 (tm-30) cc_final: 0.6640 (tm-30) REVERT: E 312 ASP cc_start: 0.7707 (t0) cc_final: 0.6369 (t70) REVERT: E 315 HIS cc_start: 0.7128 (m90) cc_final: 0.6451 (m90) REVERT: E 319 MET cc_start: 0.6282 (mmm) cc_final: 0.5847 (mmm) REVERT: E 338 ILE cc_start: 0.8127 (pt) cc_final: 0.7919 (pt) REVERT: E 379 ARG cc_start: 0.8514 (ptp-170) cc_final: 0.8221 (mtp180) REVERT: E 383 MET cc_start: 0.7338 (mmm) cc_final: 0.7099 (mmm) REVERT: E 397 LEU cc_start: 0.9090 (mt) cc_final: 0.8847 (mt) REVERT: E 401 PHE cc_start: 0.8455 (t80) cc_final: 0.7721 (t80) REVERT: E 402 ASP cc_start: 0.8090 (m-30) cc_final: 0.7716 (m-30) REVERT: E 407 LYS cc_start: 0.8703 (mmmt) cc_final: 0.8459 (mmmt) REVERT: E 426 GLU cc_start: 0.8049 (mm-30) cc_final: 0.7547 (mm-30) REVERT: E 431 MET cc_start: 0.8152 (mmp) cc_final: 0.7738 (mmp) REVERT: E 434 LEU cc_start: 0.8977 (mm) cc_final: 0.8637 (mm) REVERT: E 438 TYR cc_start: 0.7121 (m-80) cc_final: 0.6577 (m-80) REVERT: N 3 GLU cc_start: 0.7266 (mp0) cc_final: 0.7049 (mp0) REVERT: N 19 LYS cc_start: 0.8588 (tppt) cc_final: 0.8053 (tppt) REVERT: N 20 PHE cc_start: 0.8806 (t80) cc_final: 0.8562 (t80) REVERT: N 23 VAL cc_start: 0.8551 (p) cc_final: 0.8141 (p) REVERT: N 24 ILE cc_start: 0.8902 (pt) cc_final: 0.8127 (pt) REVERT: N 27 GLU cc_start: 0.8023 (mt-10) cc_final: 0.7576 (mt-10) REVERT: N 58 LYS cc_start: 0.7638 (tttt) cc_final: 0.7409 (tttt) REVERT: N 62 ARG cc_start: 0.7444 (ttm110) cc_final: 0.7076 (ttm110) REVERT: N 67 ASP cc_start: 0.7058 (t70) cc_final: 0.6785 (t70) REVERT: N 68 LEU cc_start: 0.7724 (mt) cc_final: 0.7507 (mt) REVERT: N 73 MET cc_start: 0.8625 (mmt) cc_final: 0.8083 (mmt) REVERT: N 74 ASP cc_start: 0.7969 (m-30) cc_final: 0.7682 (m-30) REVERT: N 77 ARG cc_start: 0.8084 (ttm110) cc_final: 0.7412 (ttm110) REVERT: N 94 GLN cc_start: 0.7607 (mt0) cc_final: 0.7396 (mt0) REVERT: N 111 GLU cc_start: 0.7855 (pp20) cc_final: 0.7637 (pp20) REVERT: N 121 ARG cc_start: 0.8711 (mtt90) cc_final: 0.8229 (ptp-170) REVERT: N 123 GLU cc_start: 0.8362 (mm-30) cc_final: 0.7692 (mm-30) REVERT: N 128 ASP cc_start: 0.7251 (p0) cc_final: 0.6326 (p0) REVERT: N 129 CYS cc_start: 0.8025 (m) cc_final: 0.7374 (p) REVERT: N 139 LEU cc_start: 0.7312 (mp) cc_final: 0.6707 (mp) REVERT: N 147 MET cc_start: 0.7313 (tmm) cc_final: 0.6996 (tmm) REVERT: N 154 LYS cc_start: 0.8247 (mmpt) cc_final: 0.7972 (mmpt) REVERT: N 159 TYR cc_start: 0.8449 (m-80) cc_final: 0.8088 (m-80) REVERT: N 184 ASN cc_start: 0.8596 (p0) cc_final: 0.7854 (p0) REVERT: N 197 ASP cc_start: 0.6802 (m-30) cc_final: 0.6182 (m-30) REVERT: N 198 GLU cc_start: 0.6263 (pm20) cc_final: 0.5305 (pm20) REVERT: N 204 ASN cc_start: 0.7813 (p0) cc_final: 0.7570 (p0) REVERT: N 210 ILE cc_start: 0.8694 (tp) cc_final: 0.8477 (tp) REVERT: N 215 LEU cc_start: 0.8220 (tp) cc_final: 0.7688 (tp) REVERT: N 217 LEU cc_start: 0.8666 (mt) cc_final: 0.8065 (mt) REVERT: N 232 THR cc_start: 0.8901 (p) cc_final: 0.8653 (m) REVERT: N 238 THR cc_start: 0.7100 (m) cc_final: 0.6876 (m) REVERT: N 240 LEU cc_start: 0.8335 (pt) cc_final: 0.7964 (pp) REVERT: N 247 ASN cc_start: 0.7275 (m110) cc_final: 0.6941 (m110) REVERT: N 257 MET cc_start: 0.6995 (mtt) cc_final: 0.6382 (mtt) REVERT: N 260 PHE cc_start: 0.7663 (m-80) cc_final: 0.7121 (m-80) REVERT: N 262 ARG cc_start: 0.7764 (mtp85) cc_final: 0.7395 (mtp180) REVERT: N 264 HIS cc_start: 0.7875 (p-80) cc_final: 0.7430 (p-80) REVERT: N 270 PHE cc_start: 0.7604 (t80) cc_final: 0.7051 (t80) REVERT: N 289 LEU cc_start: 0.8670 (mt) cc_final: 0.8189 (mt) REVERT: N 292 GLN cc_start: 0.8573 (tt0) cc_final: 0.7983 (tt0) REVERT: N 297 LYS cc_start: 0.7950 (mmmt) cc_final: 0.7314 (mmmt) REVERT: N 309 ARG cc_start: 0.6532 (mtp180) cc_final: 0.5850 (ttm-80) REVERT: N 321 MET cc_start: 0.8410 (ptp) cc_final: 0.7380 (ptp) REVERT: N 324 LYS cc_start: 0.8587 (ttpt) cc_final: 0.7737 (ttpt) REVERT: N 326 VAL cc_start: 0.9338 (t) cc_final: 0.8753 (t) REVERT: N 327 ASP cc_start: 0.8784 (m-30) cc_final: 0.8175 (p0) REVERT: N 330 MET cc_start: 0.8238 (mmp) cc_final: 0.7923 (mmp) REVERT: N 347 ASN cc_start: 0.7547 (t0) cc_final: 0.7105 (t0) REVERT: N 362 LYS cc_start: 0.7996 (mmmt) cc_final: 0.7201 (mmmt) REVERT: N 363 MET cc_start: 0.7374 (mmm) cc_final: 0.7079 (mmm) REVERT: N 367 PHE cc_start: 0.7935 (t80) cc_final: 0.7589 (t80) REVERT: N 392 LYS cc_start: 0.7589 (mtmm) cc_final: 0.6978 (mmtm) REVERT: N 397 TRP cc_start: 0.7286 (m100) cc_final: 0.6448 (m100) REVERT: N 406 MET cc_start: 0.8529 (mmp) cc_final: 0.8161 (mmp) REVERT: N 410 GLU cc_start: 0.7068 (mt-10) cc_final: 0.6861 (mt-10) REVERT: N 415 MET cc_start: 0.8305 (tpt) cc_final: 0.7707 (tpp) REVERT: N 417 ASP cc_start: 0.7306 (m-30) cc_final: 0.7047 (m-30) REVERT: W 10 LYS cc_start: 0.7263 (mttt) cc_final: 0.6844 (mttt) REVERT: W 28 LYS cc_start: 0.7623 (tmtt) cc_final: 0.7203 (ttpp) REVERT: W 32 LYS cc_start: 0.8500 (mmmt) cc_final: 0.8217 (mmmt) REVERT: W 36 GLU cc_start: 0.7247 (mt-10) cc_final: 0.7018 (mt-10) REVERT: W 46 TYR cc_start: 0.6838 (m-10) cc_final: 0.6594 (m-10) REVERT: W 95 MET cc_start: 0.7368 (mtt) cc_final: 0.6735 (mtt) REVERT: W 103 GLU cc_start: 0.8045 (tp30) cc_final: 0.7457 (tp30) REVERT: W 171 ARG cc_start: 0.6859 (mtt180) cc_final: 0.6292 (mtt180) REVERT: W 240 LYS cc_start: 0.8458 (mtpt) cc_final: 0.8199 (mtpt) REVERT: W 255 ASN cc_start: 0.8023 (m110) cc_final: 0.7596 (m110) REVERT: W 268 LEU cc_start: 0.8144 (mt) cc_final: 0.7902 (mt) REVERT: W 307 TYR cc_start: 0.6581 (t80) cc_final: 0.6105 (t80) REVERT: W 311 GLU cc_start: 0.8473 (pm20) cc_final: 0.8067 (pm20) REVERT: F 11 GLN cc_start: 0.7636 (tp40) cc_final: 0.7239 (tm-30) REVERT: F 15 GLN cc_start: 0.8421 (mm-40) cc_final: 0.8159 (mm110) REVERT: F 18 ASN cc_start: 0.8647 (t0) cc_final: 0.8368 (t0) REVERT: F 20 CYS cc_start: 0.8435 (p) cc_final: 0.8105 (p) REVERT: F 22 GLU cc_start: 0.8048 (pt0) cc_final: 0.7824 (pt0) REVERT: F 23 LEU cc_start: 0.8541 (tp) cc_final: 0.8180 (tt) REVERT: F 24 TYR cc_start: 0.8094 (m-80) cc_final: 0.7502 (m-80) REVERT: F 27 GLU cc_start: 0.8178 (mt-10) cc_final: 0.7647 (mt-10) REVERT: F 31 GLN cc_start: 0.7561 (mt0) cc_final: 0.6994 (mp10) REVERT: F 55 PHE cc_start: 0.7081 (p90) cc_final: 0.6868 (p90) REVERT: F 72 VAL cc_start: 0.7850 (m) cc_final: 0.7590 (p) REVERT: F 79 THR cc_start: 0.7968 (p) cc_final: 0.7554 (p) REVERT: F 96 GLU cc_start: 0.7518 (tt0) cc_final: 0.7162 (tt0) REVERT: F 97 GLN cc_start: 0.7136 (mm110) cc_final: 0.6103 (mm110) REVERT: F 127 ARG cc_start: 0.7602 (tpp80) cc_final: 0.6946 (tpt-90) REVERT: F 134 GLN cc_start: 0.7473 (pp30) cc_final: 0.7162 (tm-30) REVERT: F 160 MET cc_start: 0.7885 (tmm) cc_final: 0.6748 (tmm) REVERT: F 172 LYS cc_start: 0.8269 (ptpp) cc_final: 0.7236 (ptmt) REVERT: F 178 TYR cc_start: 0.5032 (m-10) cc_final: 0.4061 (m-10) REVERT: F 192 ASN cc_start: 0.8245 (m-40) cc_final: 0.7809 (m-40) REVERT: F 206 CYS cc_start: 0.7549 (p) cc_final: 0.6679 (p) REVERT: F 209 MET cc_start: 0.6211 (mmp) cc_final: 0.4904 (mmp) REVERT: F 216 TYR cc_start: 0.7893 (m-80) cc_final: 0.7612 (m-80) REVERT: F 221 ARG cc_start: 0.7783 (ttp-110) cc_final: 0.7493 (ttm110) REVERT: F 277 THR cc_start: 0.7329 (t) cc_final: 0.6765 (m) REVERT: F 285 GLU cc_start: 0.8259 (pm20) cc_final: 0.7921 (pm20) REVERT: F 286 LYS cc_start: 0.8380 (ttmm) cc_final: 0.8068 (ttmm) REVERT: F 299 ASN cc_start: 0.8221 (m110) cc_final: 0.7961 (m110) REVERT: F 321 CYS cc_start: 0.8456 (t) cc_final: 0.8134 (t) REVERT: F 355 THR cc_start: 0.7914 (p) cc_final: 0.7521 (p) REVERT: F 404 MET cc_start: 0.7021 (mmt) cc_final: 0.6737 (mmt) REVERT: F 405 TYR cc_start: 0.7293 (t80) cc_final: 0.6766 (t80) REVERT: F 412 HIS cc_start: 0.8061 (p90) cc_final: 0.7135 (p90) REVERT: F 423 GLU cc_start: 0.8493 (pp20) cc_final: 0.8186 (pp20) REVERT: F 424 PHE cc_start: 0.8722 (m-10) cc_final: 0.8478 (m-80) REVERT: O 22 GLU cc_start: 0.8049 (pm20) cc_final: 0.7652 (pm20) REVERT: O 57 ASN cc_start: 0.7658 (m-40) cc_final: 0.7446 (m-40) REVERT: O 68 LEU cc_start: 0.7875 (tp) cc_final: 0.7458 (tp) REVERT: O 73 MET cc_start: 0.8031 (mmt) cc_final: 0.7275 (mmt) REVERT: O 74 ASP cc_start: 0.8035 (m-30) cc_final: 0.7781 (m-30) REVERT: O 78 SER cc_start: 0.8376 (m) cc_final: 0.7927 (p) REVERT: O 83 GLN cc_start: 0.7880 (mm-40) cc_final: 0.7514 (mm110) REVERT: O 89 ASN cc_start: 0.8713 (m110) cc_final: 0.8350 (m110) REVERT: O 90 PHE cc_start: 0.8571 (m-80) cc_final: 0.7752 (m-80) REVERT: O 92 PHE cc_start: 0.7903 (p90) cc_final: 0.7365 (p90) REVERT: O 123 GLU cc_start: 0.9144 (mm-30) cc_final: 0.8846 (mm-30) REVERT: O 147 MET cc_start: 0.7328 (tmm) cc_final: 0.6930 (tmm) REVERT: O 164 MET cc_start: 0.7651 (mtp) cc_final: 0.5965 (mtp) REVERT: O 168 SER cc_start: 0.7464 (m) cc_final: 0.7155 (m) REVERT: O 181 GLU cc_start: 0.7784 (mt-10) cc_final: 0.7197 (mt-10) REVERT: O 195 ASN cc_start: 0.7698 (m-40) cc_final: 0.7053 (m-40) REVERT: O 198 GLU cc_start: 0.7461 (pt0) cc_final: 0.7012 (pt0) REVERT: O 247 ASN cc_start: 0.7023 (m110) cc_final: 0.6780 (m110) REVERT: O 256 ASN cc_start: 0.8146 (m-40) cc_final: 0.7798 (m-40) REVERT: O 263 LEU cc_start: 0.8534 (mt) cc_final: 0.8285 (mp) REVERT: O 264 HIS cc_start: 0.7656 (p-80) cc_final: 0.7163 (p-80) REVERT: O 286 VAL cc_start: 0.8837 (m) cc_final: 0.8594 (p) REVERT: O 289 LEU cc_start: 0.8923 (mt) cc_final: 0.8631 (mt) REVERT: O 293 MET cc_start: 0.7564 (mtp) cc_final: 0.6886 (mtp) REVERT: O 311 LEU cc_start: 0.6912 (mt) cc_final: 0.6431 (mt) REVERT: O 323 MET cc_start: 0.7548 (mmp) cc_final: 0.6688 (mmp) REVERT: O 327 ASP cc_start: 0.8624 (m-30) cc_final: 0.8274 (m-30) REVERT: O 362 LYS cc_start: 0.8240 (mmmt) cc_final: 0.7488 (mmmt) REVERT: O 367 PHE cc_start: 0.7827 (t80) cc_final: 0.7477 (t80) REVERT: O 375 GLN cc_start: 0.7692 (pp30) cc_final: 0.7341 (pp30) REVERT: O 392 LYS cc_start: 0.8521 (mtmm) cc_final: 0.8180 (mtmm) REVERT: O 408 PHE cc_start: 0.7913 (m-80) cc_final: 0.7389 (m-80) REVERT: O 414 ASN cc_start: 0.8588 (m-40) cc_final: 0.8293 (m-40) REVERT: X 52 PHE cc_start: 0.5116 (m-80) cc_final: 0.4599 (m-80) REVERT: X 60 GLN cc_start: 0.6245 (pt0) cc_final: 0.5988 (pt0) REVERT: X 61 VAL cc_start: 0.7064 (t) cc_final: 0.6856 (t) REVERT: X 127 GLU cc_start: 0.5807 (tt0) cc_final: 0.5263 (tt0) REVERT: X 179 VAL cc_start: 0.7533 (t) cc_final: 0.7325 (t) REVERT: X 302 CYS cc_start: 0.7175 (m) cc_final: 0.6749 (m) REVERT: X 321 ARG cc_start: 0.7013 (mtm180) cc_final: 0.6609 (mtm180) REVERT: G 11 GLN cc_start: 0.6739 (tp-100) cc_final: 0.6436 (tp40) REVERT: G 72 VAL cc_start: 0.7229 (m) cc_final: 0.7022 (p) REVERT: G 83 GLU cc_start: 0.8245 (tm-30) cc_final: 0.7735 (tm-30) REVERT: G 84 ILE cc_start: 0.9035 (mt) cc_final: 0.8826 (mt) REVERT: G 91 GLN cc_start: 0.7409 (mm-40) cc_final: 0.6735 (mm-40) REVERT: G 92 LEU cc_start: 0.8256 (mt) cc_final: 0.7982 (mt) REVERT: G 93 PHE cc_start: 0.7302 (m-80) cc_final: 0.6951 (m-80) REVERT: G 116 ILE cc_start: 0.7397 (mm) cc_final: 0.6024 (mm) REVERT: G 119 GLU cc_start: 0.7800 (pp20) cc_final: 0.7090 (pp20) REVERT: G 127 ARG cc_start: 0.8303 (mmm-85) cc_final: 0.8074 (mmm-85) REVERT: G 134 GLN cc_start: 0.8474 (tm-30) cc_final: 0.8258 (tm-30) REVERT: G 167 TYR cc_start: 0.7446 (m-10) cc_final: 0.7166 (m-10) REVERT: G 169 LYS cc_start: 0.8554 (ptpp) cc_final: 0.8288 (ptpp) REVERT: G 192 ASN cc_start: 0.8615 (m-40) cc_final: 0.8283 (m-40) REVERT: G 205 ASP cc_start: 0.7499 (m-30) cc_final: 0.6737 (m-30) REVERT: G 210 VAL cc_start: 0.7844 (t) cc_final: 0.7584 (p) REVERT: G 230 TYR cc_start: 0.7389 (m-80) cc_final: 0.6901 (m-80) REVERT: G 235 ARG cc_start: 0.7511 (mtt-85) cc_final: 0.7310 (tpp80) REVERT: G 255 ASN cc_start: 0.7483 (m110) cc_final: 0.7198 (m110) REVERT: G 299 ASN cc_start: 0.8494 (m110) cc_final: 0.8183 (m110) REVERT: G 303 GLU cc_start: 0.8155 (tm-30) cc_final: 0.7628 (tm-30) REVERT: G 309 VAL cc_start: 0.8512 (p) cc_final: 0.8243 (m) REVERT: G 312 ASP cc_start: 0.8084 (t0) cc_final: 0.7534 (t0) REVERT: G 315 HIS cc_start: 0.8380 (m90) cc_final: 0.7973 (m170) REVERT: G 317 LYS cc_start: 0.7789 (mttm) cc_final: 0.7446 (mttm) REVERT: G 344 LYS cc_start: 0.8174 (ttmm) cc_final: 0.7697 (mmmm) REVERT: G 345 ARG cc_start: 0.7821 (mmm160) cc_final: 0.7283 (tpp-160) REVERT: G 347 ILE cc_start: 0.7673 (pt) cc_final: 0.7142 (pt) REVERT: G 348 GLN cc_start: 0.7813 (pt0) cc_final: 0.7452 (mp10) REVERT: G 363 TYR cc_start: 0.7131 (m-80) cc_final: 0.6734 (m-80) REVERT: G 369 VAL cc_start: 0.8345 (t) cc_final: 0.7833 (p) REVERT: G 378 GLN cc_start: 0.8316 (mm110) cc_final: 0.7611 (mm110) REVERT: G 386 ASN cc_start: 0.7338 (t0) cc_final: 0.7127 (t0) REVERT: G 400 LYS cc_start: 0.8007 (ptpt) cc_final: 0.7778 (ptpp) REVERT: G 404 MET cc_start: 0.8838 (mtm) cc_final: 0.8520 (mtt) REVERT: G 407 LYS cc_start: 0.8575 (mmmt) cc_final: 0.7988 (mttp) REVERT: G 408 ARG cc_start: 0.7675 (ttm110) cc_final: 0.7244 (ttm110) REVERT: G 431 MET cc_start: 0.7960 (mmp) cc_final: 0.7455 (mmp) REVERT: G 440 GLU cc_start: 0.8162 (mt-10) cc_final: 0.7643 (mt-10) REVERT: P 11 GLN cc_start: 0.7338 (tt0) cc_final: 0.6629 (tp40) REVERT: P 19 LYS cc_start: 0.8048 (tptt) cc_final: 0.7370 (tptt) REVERT: P 47 ILE cc_start: 0.8109 (tt) cc_final: 0.7799 (tt) REVERT: P 59 TYR cc_start: 0.7752 (m-80) cc_final: 0.7323 (m-80) REVERT: P 73 MET cc_start: 0.8394 (mmt) cc_final: 0.7590 (mmt) REVERT: P 74 ASP cc_start: 0.8251 (m-30) cc_final: 0.7897 (m-30) REVERT: P 84 ILE cc_start: 0.8002 (tt) cc_final: 0.7738 (tt) REVERT: P 86 ARG cc_start: 0.8244 (tpp80) cc_final: 0.7934 (tpp80) REVERT: P 89 ASN cc_start: 0.8588 (m-40) cc_final: 0.7975 (m-40) REVERT: P 99 ASN cc_start: 0.7649 (m-40) cc_final: 0.7073 (m110) REVERT: P 147 MET cc_start: 0.7445 (tmm) cc_final: 0.7066 (tmm) REVERT: P 149 THR cc_start: 0.8169 (p) cc_final: 0.7610 (t) REVERT: P 154 LYS cc_start: 0.8000 (mmmt) cc_final: 0.7491 (mmmt) REVERT: P 164 MET cc_start: 0.7962 (mtp) cc_final: 0.6854 (mpp) REVERT: P 179 VAL cc_start: 0.7991 (t) cc_final: 0.7652 (p) REVERT: P 181 GLU cc_start: 0.7375 (mt-10) cc_final: 0.6814 (mt-10) REVERT: P 184 ASN cc_start: 0.7913 (m-40) cc_final: 0.7190 (t0) REVERT: P 198 GLU cc_start: 0.6830 (pt0) cc_final: 0.6436 (pt0) REVERT: P 199 THR cc_start: 0.7457 (m) cc_final: 0.6882 (t) REVERT: P 202 ILE cc_start: 0.5860 (mt) cc_final: 0.5229 (mt) REVERT: P 209 ASP cc_start: 0.7526 (t70) cc_final: 0.7097 (t0) REVERT: P 216 LYS cc_start: 0.8866 (ptpt) cc_final: 0.8272 (ptpt) REVERT: P 224 ASP cc_start: 0.7985 (m-30) cc_final: 0.7609 (m-30) REVERT: P 262 ARG cc_start: 0.8346 (mtp85) cc_final: 0.7676 (mtt180) REVERT: P 264 HIS cc_start: 0.7949 (p-80) cc_final: 0.6796 (p-80) REVERT: P 289 LEU cc_start: 0.8433 (mt) cc_final: 0.8114 (mt) REVERT: P 292 GLN cc_start: 0.8460 (tt0) cc_final: 0.8242 (tt0) REVERT: P 297 LYS cc_start: 0.8193 (mmmt) cc_final: 0.7591 (mmmt) REVERT: P 300 MET cc_start: 0.7268 (mtm) cc_final: 0.6891 (mtm) REVERT: P 318 ARG cc_start: 0.6898 (ttp-170) cc_final: 0.6084 (ttp-110) REVERT: P 320 ARG cc_start: 0.7094 (mmm160) cc_final: 0.6795 (mmm160) REVERT: P 323 MET cc_start: 0.7825 (mmp) cc_final: 0.6763 (mmt) REVERT: P 327 ASP cc_start: 0.8541 (m-30) cc_final: 0.8160 (m-30) REVERT: P 330 MET cc_start: 0.8248 (mmp) cc_final: 0.7553 (mmp) REVERT: P 334 GLN cc_start: 0.8466 (pt0) cc_final: 0.7733 (pt0) REVERT: P 336 LYS cc_start: 0.8540 (mtmm) cc_final: 0.8214 (mtmm) REVERT: P 337 ASN cc_start: 0.7877 (m-40) cc_final: 0.7090 (t0) REVERT: P 341 PHE cc_start: 0.7641 (m-80) cc_final: 0.7242 (m-80) REVERT: P 348 ASN cc_start: 0.7907 (m-40) cc_final: 0.7464 (m-40) REVERT: P 359 ARG cc_start: 0.7253 (ttm-80) cc_final: 0.6896 (ttm-80) REVERT: P 362 LYS cc_start: 0.7566 (mmmt) cc_final: 0.6492 (mmmt) REVERT: P 363 MET cc_start: 0.7730 (mmm) cc_final: 0.7035 (mmm) REVERT: P 364 SER cc_start: 0.7552 (m) cc_final: 0.7106 (p) REVERT: P 375 GLN cc_start: 0.7857 (pt0) cc_final: 0.6960 (pt0) REVERT: P 379 LYS cc_start: 0.8467 (mmtp) cc_final: 0.7969 (mmtp) REVERT: P 388 MET cc_start: 0.8003 (mtp) cc_final: 0.7434 (tpp) REVERT: P 392 LYS cc_start: 0.8082 (mtmm) cc_final: 0.7483 (mtmm) REVERT: P 395 LEU cc_start: 0.8461 (mt) cc_final: 0.8103 (mt) REVERT: P 407 GLU cc_start: 0.8128 (mt-10) cc_final: 0.7549 (mt-10) REVERT: P 410 GLU cc_start: 0.7843 (mt-10) cc_final: 0.7554 (mt-10) REVERT: P 413 SER cc_start: 0.7015 (t) cc_final: 0.6426 (t) REVERT: P 414 ASN cc_start: 0.8450 (m-40) cc_final: 0.8098 (m-40) REVERT: P 417 ASP cc_start: 0.6874 (m-30) cc_final: 0.5894 (m-30) REVERT: P 423 GLN cc_start: 0.7903 (tp40) cc_final: 0.7572 (tp-100) REVERT: Z 18 LEU cc_start: 0.7965 (mt) cc_final: 0.7625 (mt) REVERT: Z 32 LYS cc_start: 0.7264 (tppt) cc_final: 0.6285 (mttp) REVERT: Z 58 GLN cc_start: 0.7849 (mm110) cc_final: 0.7629 (mm110) REVERT: Z 185 GLU cc_start: 0.6057 (pp20) cc_final: 0.5506 (pp20) REVERT: Z 197 MET cc_start: 0.6579 (pmm) cc_final: 0.5768 (pmm) REVERT: Z 240 LYS cc_start: 0.8602 (mtpp) cc_final: 0.8333 (mtpp) REVERT: Z 274 TYR cc_start: 0.6101 (t80) cc_final: 0.5161 (t80) REVERT: Z 282 MET cc_start: 0.7729 (tpt) cc_final: 0.7255 (tpt) REVERT: Z 311 GLU cc_start: 0.8489 (mp0) cc_final: 0.7851 (mp0) REVERT: H 11 GLN cc_start: 0.7421 (tp-100) cc_final: 0.7063 (mm-40) REVERT: H 16 MET cc_start: 0.7850 (mtm) cc_final: 0.6813 (mmp) REVERT: H 23 LEU cc_start: 0.8303 (tp) cc_final: 0.7826 (tp) REVERT: H 30 ILE cc_start: 0.7089 (mt) cc_final: 0.6848 (mm) REVERT: H 31 GLN cc_start: 0.7846 (mt0) cc_final: 0.7312 (mt0) REVERT: H 70 ARG cc_start: 0.7299 (mmt90) cc_final: 0.6949 (mpt-90) REVERT: H 75 ASP cc_start: 0.6077 (t0) cc_final: 0.5831 (t0) REVERT: H 84 ILE cc_start: 0.8908 (mt) cc_final: 0.8633 (tp) REVERT: H 93 PHE cc_start: 0.7099 (m-80) cc_final: 0.6882 (m-80) REVERT: H 96 GLU cc_start: 0.7544 (tt0) cc_final: 0.7083 (tt0) REVERT: H 104 ASP cc_start: 0.5775 (t0) cc_final: 0.5477 (t0) REVERT: H 120 ILE cc_start: 0.8441 (tp) cc_final: 0.8237 (tp) REVERT: H 127 ARG cc_start: 0.7537 (tpt-90) cc_final: 0.7191 (tpt-90) REVERT: H 136 THR cc_start: 0.7122 (p) cc_final: 0.6884 (p) REVERT: H 160 MET cc_start: 0.7307 (tmm) cc_final: 0.6968 (tpt) REVERT: H 163 LEU cc_start: 0.8414 (pp) cc_final: 0.8131 (pp) REVERT: H 172 LYS cc_start: 0.7306 (mtpt) cc_final: 0.6094 (mtpt) REVERT: H 203 HIS cc_start: 0.7783 (m-70) cc_final: 0.7490 (m-70) REVERT: H 209 MET cc_start: 0.7717 (mmm) cc_final: 0.7251 (mmm) REVERT: H 211 ASP cc_start: 0.6905 (t0) cc_final: 0.6386 (t0) REVERT: H 222 ASN cc_start: 0.8628 (m-40) cc_final: 0.8373 (t0) REVERT: H 232 ASN cc_start: 0.8757 (m110) cc_final: 0.7445 (m110) REVERT: H 235 ARG cc_start: 0.8104 (mtt-85) cc_final: 0.7465 (mtt-85) REVERT: H 257 ASP cc_start: 0.7404 (p0) cc_final: 0.6790 (p0) REVERT: H 286 LYS cc_start: 0.8376 (tttt) cc_final: 0.8042 (ttmm) REVERT: H 291 GLN cc_start: 0.7701 (tp40) cc_final: 0.7378 (tm-30) REVERT: H 308 MET cc_start: 0.7154 (mpp) cc_final: 0.6742 (mmt) REVERT: H 312 ASP cc_start: 0.8222 (t0) cc_final: 0.7849 (t70) REVERT: H 317 LYS cc_start: 0.7926 (mttm) cc_final: 0.6989 (mmmm) REVERT: H 319 MET cc_start: 0.6206 (mmm) cc_final: 0.5497 (mmm) REVERT: H 332 LYS cc_start: 0.7357 (mtmt) cc_final: 0.6593 (mttp) REVERT: H 338 ILE cc_start: 0.8552 (pt) cc_final: 0.7939 (pt) REVERT: H 342 LYS cc_start: 0.8405 (mttt) cc_final: 0.7822 (mttt) REVERT: H 405 TYR cc_start: 0.7961 (t80) cc_final: 0.6832 (t80) REVERT: H 407 LYS cc_start: 0.9010 (mmmt) cc_final: 0.8404 (mmmt) REVERT: H 421 GLU cc_start: 0.6020 (tp30) cc_final: 0.4968 (tp30) REVERT: H 424 PHE cc_start: 0.8311 (m-10) cc_final: 0.8109 (m-10) REVERT: H 426 GLU cc_start: 0.7729 (mm-30) cc_final: 0.7127 (mm-30) REVERT: H 430 ASP cc_start: 0.8153 (t0) cc_final: 0.7929 (t0) REVERT: H 431 MET cc_start: 0.8116 (mmp) cc_final: 0.7887 (mmp) REVERT: R 3 GLU cc_start: 0.6552 (mp0) cc_final: 0.6091 (mp0) REVERT: R 42 LEU cc_start: 0.8358 (mt) cc_final: 0.8112 (mp) REVERT: R 66 VAL cc_start: 0.7487 (t) cc_final: 0.6951 (p) REVERT: R 73 MET cc_start: 0.8033 (mmt) cc_final: 0.7366 (mmt) REVERT: R 74 ASP cc_start: 0.8136 (m-30) cc_final: 0.7789 (m-30) REVERT: R 123 GLU cc_start: 0.8433 (mm-30) cc_final: 0.7692 (mm-30) REVERT: R 128 ASP cc_start: 0.6946 (p0) cc_final: 0.6487 (p0) REVERT: R 129 CYS cc_start: 0.6904 (t) cc_final: 0.5883 (p) REVERT: R 143 THR cc_start: 0.8619 (t) cc_final: 0.7302 (m) REVERT: R 155 ILE cc_start: 0.8505 (mt) cc_final: 0.8188 (tp) REVERT: R 164 MET cc_start: 0.6558 (mtp) cc_final: 0.5984 (mtp) REVERT: R 174 LYS cc_start: 0.7713 (mmtm) cc_final: 0.7336 (mmtm) REVERT: R 216 LYS cc_start: 0.8360 (ptmt) cc_final: 0.7997 (ptmt) REVERT: R 217 LEU cc_start: 0.8061 (mm) cc_final: 0.7729 (mm) REVERT: R 224 ASP cc_start: 0.8117 (m-30) cc_final: 0.7699 (m-30) REVERT: R 226 ASN cc_start: 0.7630 (m-40) cc_final: 0.7374 (m-40) REVERT: R 242 PHE cc_start: 0.8454 (m-80) cc_final: 0.8186 (m-80) REVERT: R 257 MET cc_start: 0.7188 (ttt) cc_final: 0.6669 (ttt) REVERT: R 264 HIS cc_start: 0.7971 (p-80) cc_final: 0.6951 (p-80) REVERT: R 266 PHE cc_start: 0.6934 (m-10) cc_final: 0.6082 (m-10) REVERT: R 267 MET cc_start: 0.7336 (ttp) cc_final: 0.6934 (ttp) REVERT: R 273 LEU cc_start: 0.8138 (mt) cc_final: 0.7934 (mt) REVERT: R 282 ARG cc_start: 0.7234 (ttt90) cc_final: 0.6694 (ttt90) REVERT: R 289 LEU cc_start: 0.8287 (mt) cc_final: 0.7953 (pp) REVERT: R 292 GLN cc_start: 0.8464 (tt0) cc_final: 0.7957 (tt0) REVERT: R 293 MET cc_start: 0.7700 (mtp) cc_final: 0.7129 (mtp) REVERT: R 298 ASN cc_start: 0.8170 (t0) cc_final: 0.7938 (t0) REVERT: R 299 MET cc_start: 0.7008 (mtm) cc_final: 0.6696 (mtm) REVERT: R 309 ARG cc_start: 0.6768 (mtt90) cc_final: 0.6522 (mtp85) REVERT: R 320 ARG cc_start: 0.7417 (ttt-90) cc_final: 0.7034 (ttt-90) REVERT: R 321 MET cc_start: 0.8467 (ptp) cc_final: 0.7757 (ptp) REVERT: R 323 MET cc_start: 0.7558 (mmp) cc_final: 0.7332 (mmp) REVERT: R 326 VAL cc_start: 0.9125 (t) cc_final: 0.8603 (t) REVERT: R 327 ASP cc_start: 0.8805 (m-30) cc_final: 0.8486 (m-30) REVERT: R 328 GLU cc_start: 0.7388 (pp20) cc_final: 0.6792 (pp20) REVERT: R 330 MET cc_start: 0.8489 (mmp) cc_final: 0.8148 (mmp) REVERT: R 339 SER cc_start: 0.8538 (p) cc_final: 0.8279 (p) REVERT: R 340 TYR cc_start: 0.7648 (m-10) cc_final: 0.7335 (m-10) REVERT: R 348 ASN cc_start: 0.8265 (m-40) cc_final: 0.7799 (m-40) REVERT: R 359 ARG cc_start: 0.7781 (ttm-80) cc_final: 0.7372 (ttm-80) REVERT: R 363 MET cc_start: 0.8057 (mmm) cc_final: 0.7530 (mmp) REVERT: R 367 PHE cc_start: 0.8369 (t80) cc_final: 0.7830 (t80) REVERT: R 388 MET cc_start: 0.7628 (mmt) cc_final: 0.7406 (mmp) REVERT: R 389 PHE cc_start: 0.7839 (t80) cc_final: 0.7573 (t80) REVERT: R 390 ARG cc_start: 0.8064 (ttt180) cc_final: 0.7644 (ttt180) REVERT: R 392 LYS cc_start: 0.7742 (mtmm) cc_final: 0.7231 (mmtm) REVERT: R 403 MET cc_start: 0.7507 (tpp) cc_final: 0.6955 (mmm) REVERT: R 410 GLU cc_start: 0.7714 (mt-10) cc_final: 0.7500 (mt-10) REVERT: R 415 MET cc_start: 0.8007 (mmm) cc_final: 0.7561 (mmm) REVERT: R 421 GLU cc_start: 0.7485 (tp30) cc_final: 0.7116 (tp30) REVERT: a 36 GLU cc_start: 0.7112 (mt-10) cc_final: 0.6471 (mt-10) REVERT: a 67 LYS cc_start: 0.6722 (tptt) cc_final: 0.6128 (pttm) REVERT: a 95 MET cc_start: 0.7373 (mtt) cc_final: 0.7045 (mtt) REVERT: a 138 TYR cc_start: 0.6647 (t80) cc_final: 0.5770 (t80) REVERT: a 252 LYS cc_start: 0.6938 (mttt) cc_final: 0.6401 (mttt) REVERT: a 255 ASN cc_start: 0.7711 (m-40) cc_final: 0.7497 (m-40) REVERT: a 256 LYS cc_start: 0.7714 (tttt) cc_final: 0.7487 (tttt) REVERT: a 268 LEU cc_start: 0.8294 (mt) cc_final: 0.8042 (mt) REVERT: a 282 MET cc_start: 0.8210 (tpt) cc_final: 0.7831 (tpt) REVERT: a 307 TYR cc_start: 0.6332 (t80) cc_final: 0.6094 (t80) REVERT: a 311 GLU cc_start: 0.8599 (pm20) cc_final: 0.8228 (pm20) outliers start: 3 outliers final: 0 residues processed: 3790 average time/residue: 0.8195 time to fit residues: 5251.5182 Evaluate side-chains 3664 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 3662 time to evaluate : 6.888 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 973 optimal weight: 9.9990 chunk 113 optimal weight: 20.0000 chunk 575 optimal weight: 9.9990 chunk 737 optimal weight: 5.9990 chunk 571 optimal weight: 7.9990 chunk 850 optimal weight: 3.9990 chunk 564 optimal weight: 8.9990 chunk 1006 optimal weight: 10.0000 chunk 629 optimal weight: 0.9980 chunk 613 optimal weight: 0.0670 chunk 464 optimal weight: 10.0000 overall best weight: 3.8124 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** I 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 198 HIS I 255 ASN I 335 ASN I 348 GLN ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 227 HIS ** Q 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 375 GLN Y 113 GLN ** A 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 198 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 28 HIS J 57 ASN ** J 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 292 GLN S 211 ASN ** S 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 117 ASN ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 262 GLN C 307 GLN ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 378 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 28 HIS ** L 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 334 GLN ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 416 ASN ** L 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 8 ASN ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 211 ASN ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 289 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 412 HIS M 11 GLN M 99 ASN M 292 GLN ** M 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 348 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 8 HIS ** E 67 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 192 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 198 HIS F 262 GLN F 335 ASN ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 190 HIS ** O 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 28 HIS ** G 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 264 ASN G 307 GLN ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 52 ASN P 190 HIS Z 60 GLN ** Z 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 28 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 107 ASN ** R 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 256 ASN ** R 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 375 GLN R 424 GLN a 60 GLN a 263 ASN ** a 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 40 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6798 moved from start: 0.6109 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.056 85869 Z= 0.320 Angle : 0.720 14.446 116442 Z= 0.377 Chirality : 0.050 0.360 12780 Planarity : 0.005 0.067 15093 Dihedral : 9.370 179.634 12231 Min Nonbonded Distance : 2.016 Molprobity Statistics. All-atom Clashscore : 20.92 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.43 % Favored : 95.57 % Rotamer: Outliers : 0.01 % Allowed : 1.94 % Favored : 98.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.06 (0.08), residues: 10530 helix: -0.46 (0.08), residues: 4284 sheet: -0.55 (0.12), residues: 1818 loop : -0.83 (0.09), residues: 4428 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.039 0.002 TRP P 397 HIS 0.011 0.001 HIS J 307 PHE 0.037 0.002 PHE J 167 TYR 0.046 0.002 TYR J 425 ARG 0.008 0.001 ARG D 127 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3827 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3826 time to evaluate : 6.928 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 8 HIS cc_start: 0.7364 (m170) cc_final: 0.6809 (m170) REVERT: I 16 MET cc_start: 0.8412 (mtm) cc_final: 0.8197 (mtm) REVERT: I 23 LEU cc_start: 0.8742 (tp) cc_final: 0.8346 (tp) REVERT: I 31 GLN cc_start: 0.7383 (mt0) cc_final: 0.7157 (mt0) REVERT: I 61 GLU cc_start: 0.6271 (tm-30) cc_final: 0.6015 (tm-30) REVERT: I 72 VAL cc_start: 0.7623 (m) cc_final: 0.7227 (p) REVERT: I 83 GLU cc_start: 0.8494 (tm-30) cc_final: 0.8086 (tm-30) REVERT: I 96 GLU cc_start: 0.7547 (tt0) cc_final: 0.7282 (tt0) REVERT: I 119 GLU cc_start: 0.7908 (pp20) cc_final: 0.7706 (pp20) REVERT: I 120 ILE cc_start: 0.8350 (tp) cc_final: 0.8130 (tp) REVERT: I 127 ARG cc_start: 0.8604 (tpp80) cc_final: 0.7041 (tpt-90) REVERT: I 134 GLN cc_start: 0.8517 (tm-30) cc_final: 0.8034 (tm-30) REVERT: I 144 PHE cc_start: 0.7561 (m-80) cc_final: 0.6319 (m-80) REVERT: I 158 LEU cc_start: 0.8552 (tp) cc_final: 0.8161 (tp) REVERT: I 160 MET cc_start: 0.7911 (tmm) cc_final: 0.7174 (tmm) REVERT: I 161 GLU cc_start: 0.8204 (tt0) cc_final: 0.7728 (tm-30) REVERT: I 163 LEU cc_start: 0.8927 (pp) cc_final: 0.8583 (tt) REVERT: I 167 TYR cc_start: 0.7220 (m-10) cc_final: 0.6887 (m-10) REVERT: I 169 LYS cc_start: 0.8699 (ptpp) cc_final: 0.8482 (ptpp) REVERT: I 172 LYS cc_start: 0.7978 (mtmm) cc_final: 0.7411 (mtmm) REVERT: I 178 TYR cc_start: 0.5730 (m-10) cc_final: 0.4020 (m-10) REVERT: I 196 THR cc_start: 0.8508 (t) cc_final: 0.8290 (t) REVERT: I 205 ASP cc_start: 0.7826 (m-30) cc_final: 0.6371 (m-30) REVERT: I 209 MET cc_start: 0.6348 (mmt) cc_final: 0.6129 (mmt) REVERT: I 218 ILE cc_start: 0.8553 (mm) cc_final: 0.8278 (mm) REVERT: I 248 LEU cc_start: 0.8732 (mt) cc_final: 0.8493 (mt) REVERT: I 261 PHE cc_start: 0.8236 (m-80) cc_final: 0.7885 (m-80) REVERT: I 263 THR cc_start: 0.8811 (t) cc_final: 0.8429 (t) REVERT: I 277 THR cc_start: 0.8134 (t) cc_final: 0.6977 (p) REVERT: I 290 GLU cc_start: 0.7732 (tp30) cc_final: 0.7163 (mm-30) REVERT: I 291 GLN cc_start: 0.7702 (tm-30) cc_final: 0.7402 (tm-30) REVERT: I 303 GLU cc_start: 0.7927 (pp20) cc_final: 0.7582 (pp20) REVERT: I 312 ASP cc_start: 0.7885 (t0) cc_final: 0.6465 (t0) REVERT: I 315 HIS cc_start: 0.7672 (m90) cc_final: 0.6880 (m90) REVERT: I 332 LYS cc_start: 0.8327 (pttm) cc_final: 0.7923 (pttm) REVERT: I 341 ILE cc_start: 0.9009 (mp) cc_final: 0.8793 (mp) REVERT: I 344 LYS cc_start: 0.8322 (ttmm) cc_final: 0.8015 (ttmm) REVERT: I 369 VAL cc_start: 0.8105 (t) cc_final: 0.7869 (p) REVERT: I 379 ARG cc_start: 0.8282 (ptp90) cc_final: 0.7912 (mtm180) REVERT: I 398 ASP cc_start: 0.8531 (t70) cc_final: 0.7948 (t0) REVERT: I 400 LYS cc_start: 0.8705 (ptpt) cc_final: 0.8210 (ptpp) REVERT: I 402 ASP cc_start: 0.8161 (m-30) cc_final: 0.7845 (m-30) REVERT: I 421 GLU cc_start: 0.7519 (tp30) cc_final: 0.6986 (tp30) REVERT: I 441 VAL cc_start: 0.8649 (p) cc_final: 0.8297 (p) REVERT: Q 11 GLN cc_start: 0.7578 (tt0) cc_final: 0.7014 (tm-30) REVERT: Q 15 GLN cc_start: 0.8893 (mm-40) cc_final: 0.8567 (mm-40) REVERT: Q 31 ASP cc_start: 0.7119 (t0) cc_final: 0.6730 (t0) REVERT: Q 58 LYS cc_start: 0.7704 (ttmt) cc_final: 0.7453 (ttmt) REVERT: Q 67 ASP cc_start: 0.7525 (t70) cc_final: 0.6861 (t70) REVERT: Q 69 GLU cc_start: 0.6474 (tm-30) cc_final: 0.5695 (tm-30) REVERT: Q 73 MET cc_start: 0.8593 (mmt) cc_final: 0.7740 (mmt) REVERT: Q 89 ASN cc_start: 0.8664 (m-40) cc_final: 0.8008 (m-40) REVERT: Q 107 THR cc_start: 0.8716 (t) cc_final: 0.8499 (t) REVERT: Q 108 GLU cc_start: 0.7920 (mp0) cc_final: 0.6835 (mp0) REVERT: Q 120 VAL cc_start: 0.8879 (m) cc_final: 0.8439 (t) REVERT: Q 147 MET cc_start: 0.7601 (tmm) cc_final: 0.7239 (tmm) REVERT: Q 158 GLU cc_start: 0.7659 (tt0) cc_final: 0.7235 (tt0) REVERT: Q 159 TYR cc_start: 0.8227 (m-80) cc_final: 0.7504 (m-10) REVERT: Q 164 MET cc_start: 0.7313 (mtp) cc_final: 0.6156 (mtp) REVERT: Q 165 ASN cc_start: 0.7726 (t0) cc_final: 0.7304 (t0) REVERT: Q 178 THR cc_start: 0.7162 (m) cc_final: 0.6613 (m) REVERT: Q 181 GLU cc_start: 0.7487 (mt-10) cc_final: 0.6762 (mt-10) REVERT: Q 184 ASN cc_start: 0.8533 (m-40) cc_final: 0.8194 (m-40) REVERT: Q 187 LEU cc_start: 0.8638 (mt) cc_final: 0.8437 (mt) REVERT: Q 192 LEU cc_start: 0.8844 (mm) cc_final: 0.8587 (mm) REVERT: Q 195 ASN cc_start: 0.8093 (m-40) cc_final: 0.7373 (m-40) REVERT: Q 196 THR cc_start: 0.7818 (t) cc_final: 0.7319 (t) REVERT: Q 197 ASP cc_start: 0.6949 (m-30) cc_final: 0.6723 (m-30) REVERT: Q 209 ASP cc_start: 0.7192 (t70) cc_final: 0.6952 (t70) REVERT: Q 240 LEU cc_start: 0.8242 (pp) cc_final: 0.7949 (pp) REVERT: Q 247 ASN cc_start: 0.7536 (m110) cc_final: 0.7296 (m110) REVERT: Q 257 MET cc_start: 0.7074 (mmm) cc_final: 0.6607 (mmm) REVERT: Q 273 LEU cc_start: 0.8254 (mp) cc_final: 0.8049 (mp) REVERT: Q 292 GLN cc_start: 0.8388 (tt0) cc_final: 0.8048 (tt0) REVERT: Q 297 LYS cc_start: 0.8374 (mmmt) cc_final: 0.7689 (mmmt) REVERT: Q 299 MET cc_start: 0.7206 (mtp) cc_final: 0.6622 (mtp) REVERT: Q 300 MET cc_start: 0.7485 (mtm) cc_final: 0.6755 (mtm) REVERT: Q 323 MET cc_start: 0.8217 (mmp) cc_final: 0.7724 (mmp) REVERT: Q 327 ASP cc_start: 0.8359 (m-30) cc_final: 0.8077 (m-30) REVERT: Q 330 MET cc_start: 0.8185 (mmp) cc_final: 0.7082 (mmp) REVERT: Q 331 LEU cc_start: 0.8543 (tp) cc_final: 0.8248 (tp) REVERT: Q 334 GLN cc_start: 0.8546 (pt0) cc_final: 0.7967 (pt0) REVERT: Q 350 LYS cc_start: 0.7595 (tptp) cc_final: 0.6542 (tptp) REVERT: Q 354 CYS cc_start: 0.8537 (t) cc_final: 0.7649 (p) REVERT: Q 362 LYS cc_start: 0.8047 (mmmt) cc_final: 0.7289 (mmmt) REVERT: Q 363 MET cc_start: 0.7835 (mmm) cc_final: 0.7111 (mmm) REVERT: Q 367 PHE cc_start: 0.8181 (t80) cc_final: 0.7297 (t80) REVERT: Q 397 TRP cc_start: 0.7789 (m100) cc_final: 0.7244 (m100) REVERT: Q 404 ASP cc_start: 0.8408 (t0) cc_final: 0.7412 (t0) REVERT: Q 407 GLU cc_start: 0.8343 (mt-10) cc_final: 0.7484 (pt0) REVERT: Q 409 THR cc_start: 0.8602 (m) cc_final: 0.8400 (p) REVERT: Q 415 MET cc_start: 0.7641 (tpt) cc_final: 0.7437 (tpt) REVERT: Q 422 TYR cc_start: 0.7445 (m-80) cc_final: 0.7201 (m-80) REVERT: Y 32 LYS cc_start: 0.7507 (tppt) cc_final: 0.6595 (mmmm) REVERT: Y 60 GLN cc_start: 0.7376 (mt0) cc_final: 0.7152 (mt0) REVERT: Y 84 TYR cc_start: 0.7162 (t80) cc_final: 0.6785 (t80) REVERT: Y 93 HIS cc_start: 0.7956 (t-90) cc_final: 0.6944 (t-90) REVERT: Y 105 MET cc_start: 0.5712 (mmm) cc_final: 0.5512 (mmm) REVERT: Y 178 GLU cc_start: 0.8020 (mt-10) cc_final: 0.7402 (mt-10) REVERT: Y 220 GLU cc_start: 0.6469 (mm-30) cc_final: 0.5982 (mm-30) REVERT: Y 227 LEU cc_start: 0.7463 (tp) cc_final: 0.7228 (tp) REVERT: Y 274 TYR cc_start: 0.6924 (t80) cc_final: 0.6348 (t80) REVERT: Y 282 MET cc_start: 0.7905 (tpt) cc_final: 0.7511 (tpt) REVERT: Y 309 GLU cc_start: 0.8618 (tp30) cc_final: 0.8355 (tp30) REVERT: Y 311 GLU cc_start: 0.8202 (pm20) cc_final: 0.7992 (pm20) REVERT: A 11 GLN cc_start: 0.7392 (tt0) cc_final: 0.6522 (tm-30) REVERT: A 16 MET cc_start: 0.8488 (mtm) cc_final: 0.7761 (mtm) REVERT: A 23 LEU cc_start: 0.8534 (tp) cc_final: 0.7271 (tp) REVERT: A 24 TYR cc_start: 0.8082 (m-80) cc_final: 0.7287 (m-80) REVERT: A 27 GLU cc_start: 0.8072 (mt-10) cc_final: 0.7867 (mt-10) REVERT: A 31 GLN cc_start: 0.8215 (mt0) cc_final: 0.7838 (mt0) REVERT: A 70 ARG cc_start: 0.6986 (mmt90) cc_final: 0.6722 (mmt90) REVERT: A 73 PHE cc_start: 0.7843 (m-10) cc_final: 0.6902 (m-10) REVERT: A 79 THR cc_start: 0.7243 (p) cc_final: 0.6448 (p) REVERT: A 93 PHE cc_start: 0.7070 (m-80) cc_final: 0.5943 (m-80) REVERT: A 96 GLU cc_start: 0.7856 (tt0) cc_final: 0.7456 (tt0) REVERT: A 121 ILE cc_start: 0.8593 (pt) cc_final: 0.8340 (pt) REVERT: A 125 LEU cc_start: 0.8231 (mm) cc_final: 0.7994 (mm) REVERT: A 129 ARG cc_start: 0.8520 (mmm160) cc_final: 0.8146 (mmm160) REVERT: A 161 GLU cc_start: 0.8118 (tt0) cc_final: 0.7549 (tt0) REVERT: A 163 LEU cc_start: 0.8910 (pp) cc_final: 0.8539 (tt) REVERT: A 170 LYS cc_start: 0.8379 (tppt) cc_final: 0.7570 (tppp) REVERT: A 189 GLU cc_start: 0.8672 (pt0) cc_final: 0.8156 (pt0) REVERT: A 196 THR cc_start: 0.9149 (t) cc_final: 0.8919 (m) REVERT: A 203 HIS cc_start: 0.8378 (m170) cc_final: 0.7897 (m90) REVERT: A 213 GLU cc_start: 0.7892 (pt0) cc_final: 0.7563 (pt0) REVERT: A 218 ILE cc_start: 0.8769 (mm) cc_final: 0.8532 (mm) REVERT: A 232 ASN cc_start: 0.8555 (m110) cc_final: 0.8117 (m110) REVERT: A 235 ARG cc_start: 0.8837 (mtt-85) cc_final: 0.8268 (mtt-85) REVERT: A 260 GLU cc_start: 0.7929 (pm20) cc_final: 0.7394 (pm20) REVERT: A 261 PHE cc_start: 0.8154 (m-80) cc_final: 0.7293 (m-80) REVERT: A 309 VAL cc_start: 0.8382 (p) cc_final: 0.8179 (m) REVERT: A 312 ASP cc_start: 0.8242 (t0) cc_final: 0.7885 (t0) REVERT: A 342 LYS cc_start: 0.8524 (mttt) cc_final: 0.7836 (mttt) REVERT: A 345 ARG cc_start: 0.7653 (mmm160) cc_final: 0.7189 (mmp80) REVERT: A 348 GLN cc_start: 0.7104 (mp10) cc_final: 0.6803 (mp10) REVERT: A 352 TRP cc_start: 0.5523 (m100) cc_final: 0.5257 (m100) REVERT: A 363 TYR cc_start: 0.7854 (m-80) cc_final: 0.7488 (m-10) REVERT: A 396 ARG cc_start: 0.8428 (ttp-110) cc_final: 0.8212 (ttp-110) REVERT: A 397 LEU cc_start: 0.8931 (mt) cc_final: 0.8603 (mt) REVERT: A 401 PHE cc_start: 0.8577 (t80) cc_final: 0.7989 (t80) REVERT: A 402 ASP cc_start: 0.8480 (m-30) cc_final: 0.8199 (m-30) REVERT: A 404 MET cc_start: 0.8444 (mtm) cc_final: 0.8212 (mtm) REVERT: A 405 TYR cc_start: 0.8364 (t80) cc_final: 0.7941 (t80) REVERT: A 407 LYS cc_start: 0.8716 (mmmt) cc_final: 0.8342 (mmmt) REVERT: A 408 ARG cc_start: 0.7945 (mmt180) cc_final: 0.7321 (mmt180) REVERT: A 426 GLU cc_start: 0.7930 (mm-30) cc_final: 0.7624 (mm-30) REVERT: A 430 ASP cc_start: 0.8692 (t0) cc_final: 0.8313 (t0) REVERT: A 437 ASP cc_start: 0.6290 (m-30) cc_final: 0.5704 (m-30) REVERT: A 440 GLU cc_start: 0.7272 (mt-10) cc_final: 0.6937 (mt-10) REVERT: J 3 GLU cc_start: 0.6561 (mp0) cc_final: 0.5863 (mp0) REVERT: J 4 ILE cc_start: 0.8176 (mt) cc_final: 0.7722 (mt) REVERT: J 47 ILE cc_start: 0.8188 (tt) cc_final: 0.7902 (tt) REVERT: J 48 ASN cc_start: 0.8015 (p0) cc_final: 0.7760 (p0) REVERT: J 59 TYR cc_start: 0.7404 (m-80) cc_final: 0.7175 (m-80) REVERT: J 62 ARG cc_start: 0.7248 (ptp-110) cc_final: 0.7029 (ptp-110) REVERT: J 67 ASP cc_start: 0.6496 (t70) cc_final: 0.6189 (t70) REVERT: J 73 MET cc_start: 0.8315 (mmt) cc_final: 0.7779 (mmt) REVERT: J 74 ASP cc_start: 0.7899 (m-30) cc_final: 0.7493 (m-30) REVERT: J 84 ILE cc_start: 0.8237 (tt) cc_final: 0.7985 (tp) REVERT: J 90 PHE cc_start: 0.8214 (m-80) cc_final: 0.7623 (m-80) REVERT: J 100 ASN cc_start: 0.8237 (t0) cc_final: 0.7687 (t0) REVERT: J 108 GLU cc_start: 0.8043 (mm-30) cc_final: 0.7423 (tp30) REVERT: J 112 LEU cc_start: 0.8862 (tp) cc_final: 0.8661 (tp) REVERT: J 122 LYS cc_start: 0.8324 (ttpp) cc_final: 0.7876 (ttpp) REVERT: J 128 ASP cc_start: 0.7379 (p0) cc_final: 0.6842 (p0) REVERT: J 136 THR cc_start: 0.6826 (p) cc_final: 0.6385 (p) REVERT: J 143 THR cc_start: 0.8600 (t) cc_final: 0.8038 (t) REVERT: J 155 ILE cc_start: 0.8883 (mt) cc_final: 0.8589 (tp) REVERT: J 158 GLU cc_start: 0.8110 (tt0) cc_final: 0.7709 (tt0) REVERT: J 159 TYR cc_start: 0.8268 (m-10) cc_final: 0.7289 (m-10) REVERT: J 164 MET cc_start: 0.8421 (pmm) cc_final: 0.8028 (pmm) REVERT: J 178 THR cc_start: 0.6540 (m) cc_final: 0.6145 (m) REVERT: J 181 GLU cc_start: 0.7483 (mt-10) cc_final: 0.6675 (mt-10) REVERT: J 184 ASN cc_start: 0.8634 (p0) cc_final: 0.7885 (p0) REVERT: J 186 THR cc_start: 0.8994 (p) cc_final: 0.8788 (t) REVERT: J 198 GLU cc_start: 0.7087 (pt0) cc_final: 0.6445 (pt0) REVERT: J 205 GLU cc_start: 0.6959 (pt0) cc_final: 0.6364 (pt0) REVERT: J 208 TYR cc_start: 0.7533 (m-80) cc_final: 0.7089 (m-10) REVERT: J 225 LEU cc_start: 0.9233 (mt) cc_final: 0.8959 (mt) REVERT: J 226 ASN cc_start: 0.8078 (m-40) cc_final: 0.7873 (m-40) REVERT: J 233 MET cc_start: 0.8333 (mmm) cc_final: 0.8117 (mmm) REVERT: J 250 LEU cc_start: 0.8552 (mt) cc_final: 0.8290 (tp) REVERT: J 251 ARG cc_start: 0.8235 (tpt-90) cc_final: 0.7623 (tpt-90) REVERT: J 257 MET cc_start: 0.7549 (mmm) cc_final: 0.7306 (mmm) REVERT: J 262 ARG cc_start: 0.8223 (mtt180) cc_final: 0.7132 (mtt180) REVERT: J 264 HIS cc_start: 0.8384 (p-80) cc_final: 0.7173 (p-80) REVERT: J 266 PHE cc_start: 0.7287 (m-10) cc_final: 0.6696 (m-10) REVERT: J 273 LEU cc_start: 0.7822 (mt) cc_final: 0.7470 (mt) REVERT: J 276 ARG cc_start: 0.7471 (tpm170) cc_final: 0.7178 (tpm170) REVERT: J 280 GLN cc_start: 0.7101 (mp10) cc_final: 0.6719 (mm-40) REVERT: J 297 LYS cc_start: 0.7876 (mmmt) cc_final: 0.7183 (mmmt) REVERT: J 299 MET cc_start: 0.6891 (mtp) cc_final: 0.6498 (mtp) REVERT: J 300 MET cc_start: 0.7355 (ptp) cc_final: 0.6227 (ptp) REVERT: J 321 MET cc_start: 0.8302 (ptp) cc_final: 0.7570 (ptp) REVERT: J 323 MET cc_start: 0.8023 (mmp) cc_final: 0.7188 (mmp) REVERT: J 324 LYS cc_start: 0.8326 (ttpt) cc_final: 0.7513 (ttpt) REVERT: J 326 VAL cc_start: 0.8904 (t) cc_final: 0.8477 (t) REVERT: J 327 ASP cc_start: 0.8539 (m-30) cc_final: 0.7894 (m-30) REVERT: J 328 GLU cc_start: 0.7114 (pp20) cc_final: 0.6659 (pp20) REVERT: J 330 MET cc_start: 0.8277 (mmp) cc_final: 0.7872 (mmp) REVERT: J 345 ILE cc_start: 0.8629 (tp) cc_final: 0.8359 (tp) REVERT: J 367 PHE cc_start: 0.7628 (t80) cc_final: 0.7176 (t80) REVERT: J 370 ASN cc_start: 0.6911 (p0) cc_final: 0.6559 (p0) REVERT: J 371 SER cc_start: 0.7976 (t) cc_final: 0.7658 (t) REVERT: J 375 GLN cc_start: 0.7559 (pp30) cc_final: 0.6660 (tm-30) REVERT: J 379 LYS cc_start: 0.7847 (mmtm) cc_final: 0.6989 (mmtm) REVERT: J 389 PHE cc_start: 0.7973 (t80) cc_final: 0.7728 (t80) REVERT: J 390 ARG cc_start: 0.8294 (ttp80) cc_final: 0.7932 (ttp80) REVERT: J 391 ARG cc_start: 0.7264 (ttt180) cc_final: 0.7046 (ttt180) REVERT: J 392 LYS cc_start: 0.7845 (mtmm) cc_final: 0.7319 (mmtm) REVERT: J 395 LEU cc_start: 0.8016 (mt) cc_final: 0.7720 (mt) REVERT: J 404 ASP cc_start: 0.8333 (t0) cc_final: 0.7841 (t0) REVERT: J 407 GLU cc_start: 0.8246 (mt-10) cc_final: 0.7737 (mt-10) REVERT: J 410 GLU cc_start: 0.8155 (mt-10) cc_final: 0.7586 (mt-10) REVERT: J 414 ASN cc_start: 0.8763 (m-40) cc_final: 0.8151 (m-40) REVERT: J 415 MET cc_start: 0.8383 (tpt) cc_final: 0.7468 (mmm) REVERT: J 416 ASN cc_start: 0.7946 (p0) cc_final: 0.7672 (p0) REVERT: J 421 GLU cc_start: 0.8162 (tt0) cc_final: 0.7781 (tt0) REVERT: J 423 GLN cc_start: 0.8557 (tp-100) cc_final: 0.8167 (tp-100) REVERT: S 32 LYS cc_start: 0.8077 (mmpt) cc_final: 0.7667 (mtmm) REVERT: S 36 GLU cc_start: 0.7557 (mt-10) cc_final: 0.6891 (mt-10) REVERT: S 41 ILE cc_start: 0.7067 (mm) cc_final: 0.6562 (mm) REVERT: S 60 GLN cc_start: 0.8045 (tp40) cc_final: 0.7841 (tp-100) REVERT: S 103 GLU cc_start: 0.8052 (tp30) cc_final: 0.7396 (tp30) REVERT: S 110 ARG cc_start: 0.6351 (mtt-85) cc_final: 0.5984 (mtt180) REVERT: S 131 LYS cc_start: 0.7434 (mtmm) cc_final: 0.6719 (mtmm) REVERT: S 178 GLU cc_start: 0.8347 (mt-10) cc_final: 0.7723 (mt-10) REVERT: S 217 THR cc_start: 0.6256 (m) cc_final: 0.5559 (p) REVERT: S 220 GLU cc_start: 0.5418 (mm-30) cc_final: 0.5055 (mm-30) REVERT: S 252 LYS cc_start: 0.7563 (mttt) cc_final: 0.7279 (mttt) REVERT: S 278 ARG cc_start: 0.6706 (mtt180) cc_final: 0.6147 (mtt180) REVERT: S 307 TYR cc_start: 0.6693 (t80) cc_final: 0.6100 (t80) REVERT: S 311 GLU cc_start: 0.8690 (pm20) cc_final: 0.8390 (pm20) REVERT: B 11 GLN cc_start: 0.7819 (tp-100) cc_final: 0.7057 (tm-30) REVERT: B 15 GLN cc_start: 0.8771 (mm-40) cc_final: 0.8543 (mm110) REVERT: B 21 TRP cc_start: 0.8325 (m100) cc_final: 0.8119 (m100) REVERT: B 24 TYR cc_start: 0.8326 (m-80) cc_final: 0.7235 (m-80) REVERT: B 31 GLN cc_start: 0.8217 (mt0) cc_final: 0.7887 (mt0) REVERT: B 36 MET cc_start: 0.7370 (tmm) cc_final: 0.6842 (tmm) REVERT: B 75 ASP cc_start: 0.6586 (t0) cc_final: 0.6335 (t0) REVERT: B 80 VAL cc_start: 0.9209 (m) cc_final: 0.8929 (m) REVERT: B 83 GLU cc_start: 0.7939 (tm-30) cc_final: 0.7486 (tm-30) REVERT: B 84 ILE cc_start: 0.8727 (mm) cc_final: 0.7966 (mm) REVERT: B 97 GLN cc_start: 0.7987 (mm110) cc_final: 0.7676 (mm110) REVERT: B 120 ILE cc_start: 0.8559 (tp) cc_final: 0.8307 (tp) REVERT: B 158 LEU cc_start: 0.8469 (tp) cc_final: 0.8175 (tp) REVERT: B 160 MET cc_start: 0.7770 (tmm) cc_final: 0.6949 (tmm) REVERT: B 163 LEU cc_start: 0.8897 (pp) cc_final: 0.8679 (pp) REVERT: B 170 LYS cc_start: 0.8333 (mmtp) cc_final: 0.7983 (mmtp) REVERT: B 178 TYR cc_start: 0.5632 (m-10) cc_final: 0.4427 (m-10) REVERT: B 189 GLU cc_start: 0.7699 (pm20) cc_final: 0.7281 (pm20) REVERT: B 192 ASN cc_start: 0.8673 (m110) cc_final: 0.8319 (m110) REVERT: B 209 MET cc_start: 0.6674 (mmp) cc_final: 0.5978 (mmp) REVERT: B 215 ILE cc_start: 0.8670 (tt) cc_final: 0.8398 (tt) REVERT: B 218 ILE cc_start: 0.8622 (mp) cc_final: 0.8364 (mp) REVERT: B 222 ASN cc_start: 0.8473 (m-40) cc_final: 0.8240 (m-40) REVERT: B 230 TYR cc_start: 0.7672 (m-10) cc_final: 0.7441 (m-10) REVERT: B 232 ASN cc_start: 0.8335 (m-40) cc_final: 0.8080 (m-40) REVERT: B 248 LEU cc_start: 0.8872 (pp) cc_final: 0.8659 (pp) REVERT: B 265 LEU cc_start: 0.8249 (mm) cc_final: 0.7949 (mm) REVERT: B 267 PRO cc_start: 0.8487 (Cg_exo) cc_final: 0.8079 (Cg_endo) REVERT: B 268 TYR cc_start: 0.8644 (m-80) cc_final: 0.8300 (m-80) REVERT: B 282 ILE cc_start: 0.7816 (tp) cc_final: 0.7464 (tp) REVERT: B 286 LYS cc_start: 0.7939 (ttmt) cc_final: 0.7619 (ttmt) REVERT: B 299 ASN cc_start: 0.8131 (m110) cc_final: 0.7866 (m110) REVERT: B 308 MET cc_start: 0.7714 (mmt) cc_final: 0.7173 (mmt) REVERT: B 312 ASP cc_start: 0.7283 (t0) cc_final: 0.6591 (t0) REVERT: B 315 HIS cc_start: 0.8119 (m90) cc_final: 0.7592 (m-70) REVERT: B 317 LYS cc_start: 0.7809 (mttm) cc_final: 0.6976 (mttm) REVERT: B 319 MET cc_start: 0.7417 (mmm) cc_final: 0.6523 (mmm) REVERT: B 322 CYS cc_start: 0.7604 (t) cc_final: 0.6530 (t) REVERT: B 324 LEU cc_start: 0.7671 (mp) cc_final: 0.7045 (mp) REVERT: B 338 ILE cc_start: 0.8456 (pt) cc_final: 0.8193 (pt) REVERT: B 344 LYS cc_start: 0.6927 (ttmm) cc_final: 0.6544 (ttmm) REVERT: B 358 LYS cc_start: 0.7349 (tmtt) cc_final: 0.7080 (tmtt) REVERT: B 378 GLN cc_start: 0.7793 (mm110) cc_final: 0.7162 (mm-40) REVERT: B 385 SER cc_start: 0.8055 (t) cc_final: 0.7824 (m) REVERT: B 404 MET cc_start: 0.8242 (mtm) cc_final: 0.7910 (mmm) REVERT: B 405 TYR cc_start: 0.7533 (t80) cc_final: 0.7022 (t80) REVERT: B 410 PHE cc_start: 0.8315 (m-80) cc_final: 0.7638 (m-80) REVERT: B 412 HIS cc_start: 0.8097 (p90) cc_final: 0.7836 (p-80) REVERT: B 423 GLU cc_start: 0.8569 (pp20) cc_final: 0.8077 (pp20) REVERT: B 426 GLU cc_start: 0.8381 (mm-30) cc_final: 0.7877 (mm-30) REVERT: B 428 ARG cc_start: 0.7733 (tmt170) cc_final: 0.7473 (tmt170) REVERT: B 430 ASP cc_start: 0.8500 (t0) cc_final: 0.8273 (t0) REVERT: B 431 MET cc_start: 0.8664 (mmp) cc_final: 0.8453 (mmm) REVERT: B 435 GLU cc_start: 0.8306 (mm-30) cc_final: 0.7977 (mm-30) REVERT: B 440 GLU cc_start: 0.7937 (mt-10) cc_final: 0.7340 (mt-10) REVERT: K 21 TRP cc_start: 0.8406 (m100) cc_final: 0.8047 (m100) REVERT: K 22 GLU cc_start: 0.8256 (mt-10) cc_final: 0.7856 (mt-10) REVERT: K 27 GLU cc_start: 0.8402 (mt-10) cc_final: 0.7986 (mt-10) REVERT: K 46 ARG cc_start: 0.8219 (mmp80) cc_final: 0.7902 (mmp80) REVERT: K 48 ASN cc_start: 0.7460 (p0) cc_final: 0.6968 (p0) REVERT: K 67 ASP cc_start: 0.7120 (t70) cc_final: 0.6376 (t70) REVERT: K 73 MET cc_start: 0.8075 (mmt) cc_final: 0.7436 (mmt) REVERT: K 112 LEU cc_start: 0.8785 (tp) cc_final: 0.8571 (tp) REVERT: K 123 GLU cc_start: 0.9172 (mm-30) cc_final: 0.8789 (mm-30) REVERT: K 147 MET cc_start: 0.7274 (tmm) cc_final: 0.6419 (tmm) REVERT: K 150 LEU cc_start: 0.8192 (tp) cc_final: 0.7741 (tp) REVERT: K 152 ILE cc_start: 0.8176 (mm) cc_final: 0.7955 (mm) REVERT: K 153 SER cc_start: 0.7826 (m) cc_final: 0.7504 (t) REVERT: K 154 LYS cc_start: 0.7991 (mmmt) cc_final: 0.7257 (mmmt) REVERT: K 155 ILE cc_start: 0.8483 (pt) cc_final: 0.8264 (mt) REVERT: K 164 MET cc_start: 0.6429 (mtp) cc_final: 0.5262 (mtp) REVERT: K 165 ASN cc_start: 0.7147 (t0) cc_final: 0.6296 (t0) REVERT: K 183 TYR cc_start: 0.7858 (m-10) cc_final: 0.7389 (m-10) REVERT: K 187 LEU cc_start: 0.8322 (mt) cc_final: 0.8003 (mt) REVERT: K 195 ASN cc_start: 0.7741 (m-40) cc_final: 0.6983 (m-40) REVERT: K 198 GLU cc_start: 0.7162 (pt0) cc_final: 0.6814 (pt0) REVERT: K 207 LEU cc_start: 0.8567 (mt) cc_final: 0.8258 (mt) REVERT: K 209 ASP cc_start: 0.8101 (t70) cc_final: 0.7858 (t70) REVERT: K 216 LYS cc_start: 0.8419 (pttp) cc_final: 0.8215 (pttp) REVERT: K 233 MET cc_start: 0.8707 (mtp) cc_final: 0.8268 (mtp) REVERT: K 246 LEU cc_start: 0.7803 (tp) cc_final: 0.7600 (tp) REVERT: K 247 ASN cc_start: 0.7453 (m110) cc_final: 0.7168 (m110) REVERT: K 251 ARG cc_start: 0.7793 (mtp85) cc_final: 0.7278 (mtp85) REVERT: K 260 PHE cc_start: 0.8026 (m-80) cc_final: 0.7653 (m-80) REVERT: K 263 LEU cc_start: 0.8324 (mt) cc_final: 0.7942 (tp) REVERT: K 266 PHE cc_start: 0.7145 (m-10) cc_final: 0.6561 (m-10) REVERT: K 267 MET cc_start: 0.7028 (mtp) cc_final: 0.6712 (mtp) REVERT: K 270 PHE cc_start: 0.7266 (t80) cc_final: 0.6894 (t80) REVERT: K 292 GLN cc_start: 0.8085 (tt0) cc_final: 0.7875 (tt0) REVERT: K 299 MET cc_start: 0.6472 (ptp) cc_final: 0.6259 (ptp) REVERT: K 327 ASP cc_start: 0.8641 (m-30) cc_final: 0.8142 (m-30) REVERT: K 329 GLN cc_start: 0.8397 (mm-40) cc_final: 0.8007 (mm110) REVERT: K 330 MET cc_start: 0.8442 (mmp) cc_final: 0.8015 (mmp) REVERT: K 331 LEU cc_start: 0.8389 (tp) cc_final: 0.8174 (tp) REVERT: K 344 TRP cc_start: 0.7835 (p-90) cc_final: 0.7587 (p-90) REVERT: K 350 LYS cc_start: 0.8016 (tptp) cc_final: 0.7120 (tptp) REVERT: K 362 LYS cc_start: 0.7969 (mmmt) cc_final: 0.7290 (mmmt) REVERT: K 363 MET cc_start: 0.7984 (mmm) cc_final: 0.7460 (mmm) REVERT: K 383 GLU cc_start: 0.8271 (mm-30) cc_final: 0.7742 (mm-30) REVERT: K 385 PHE cc_start: 0.8054 (t80) cc_final: 0.7764 (t80) REVERT: K 398 TYR cc_start: 0.7158 (m-80) cc_final: 0.6893 (m-80) REVERT: K 403 MET cc_start: 0.6098 (ttt) cc_final: 0.5751 (ttt) REVERT: K 408 PHE cc_start: 0.8405 (m-80) cc_final: 0.7594 (m-80) REVERT: K 415 MET cc_start: 0.7991 (tpt) cc_final: 0.7727 (tpt) REVERT: K 421 GLU cc_start: 0.7917 (tt0) cc_final: 0.6888 (tt0) REVERT: T 14 ARG cc_start: 0.5779 (tmt170) cc_final: 0.5263 (tmt170) REVERT: T 60 GLN cc_start: 0.6905 (mt0) cc_final: 0.6491 (mt0) REVERT: T 93 HIS cc_start: 0.5970 (m-70) cc_final: 0.5543 (m-70) REVERT: T 95 MET cc_start: 0.7472 (mtt) cc_final: 0.7271 (mtt) REVERT: T 103 GLU cc_start: 0.8183 (tp30) cc_final: 0.7616 (tp30) REVERT: T 180 MET cc_start: 0.7550 (tmm) cc_final: 0.7240 (tmm) REVERT: T 228 TYR cc_start: 0.6153 (m-80) cc_final: 0.5097 (m-80) REVERT: T 256 LYS cc_start: 0.7474 (mmmt) cc_final: 0.6958 (mmmt) REVERT: T 313 LYS cc_start: 0.7802 (mtmt) cc_final: 0.7565 (tppt) REVERT: T 321 ARG cc_start: 0.7885 (mtm180) cc_final: 0.7272 (mtm180) REVERT: C 18 ASN cc_start: 0.8754 (t0) cc_final: 0.8528 (t0) REVERT: C 23 LEU cc_start: 0.8625 (tp) cc_final: 0.7886 (tp) REVERT: C 27 GLU cc_start: 0.8360 (mt-10) cc_final: 0.7937 (mt-10) REVERT: C 31 GLN cc_start: 0.7791 (mt0) cc_final: 0.7371 (mt0) REVERT: C 73 PHE cc_start: 0.8238 (m-10) cc_final: 0.7646 (m-10) REVERT: C 79 THR cc_start: 0.7708 (p) cc_final: 0.7270 (p) REVERT: C 83 GLU cc_start: 0.8148 (tm-30) cc_final: 0.7790 (tm-30) REVERT: C 84 ILE cc_start: 0.8797 (mt) cc_final: 0.8336 (mt) REVERT: C 93 PHE cc_start: 0.6916 (m-80) cc_final: 0.6334 (m-80) REVERT: C 96 GLU cc_start: 0.7817 (tt0) cc_final: 0.7220 (tt0) REVERT: C 97 GLN cc_start: 0.7667 (mp10) cc_final: 0.6945 (mp10) REVERT: C 127 ARG cc_start: 0.7685 (tpp80) cc_final: 0.7138 (tpp80) REVERT: C 134 GLN cc_start: 0.7627 (tm-30) cc_final: 0.7011 (tm-30) REVERT: C 160 MET cc_start: 0.7792 (tmm) cc_final: 0.7489 (tmm) REVERT: C 189 GLU cc_start: 0.8084 (pm20) cc_final: 0.7407 (pm20) REVERT: C 206 CYS cc_start: 0.7205 (p) cc_final: 0.6703 (p) REVERT: C 208 PHE cc_start: 0.7145 (m-10) cc_final: 0.6900 (m-10) REVERT: C 212 ASN cc_start: 0.8482 (m-40) cc_final: 0.8169 (m-40) REVERT: C 216 TYR cc_start: 0.8378 (m-80) cc_final: 0.7886 (m-80) REVERT: C 230 TYR cc_start: 0.7732 (m-10) cc_final: 0.7289 (m-10) REVERT: C 259 THR cc_start: 0.7978 (p) cc_final: 0.7673 (t) REVERT: C 265 LEU cc_start: 0.8359 (mm) cc_final: 0.7797 (mm) REVERT: C 271 ILE cc_start: 0.8306 (tp) cc_final: 0.7923 (tp) REVERT: C 277 THR cc_start: 0.7585 (t) cc_final: 0.6686 (p) REVERT: C 282 ILE cc_start: 0.7553 (tp) cc_final: 0.7296 (tp) REVERT: C 286 LYS cc_start: 0.8347 (mtpt) cc_final: 0.7555 (mtpp) REVERT: C 299 ASN cc_start: 0.8086 (m-40) cc_final: 0.7839 (m-40) REVERT: C 308 MET cc_start: 0.7614 (mpp) cc_final: 0.6944 (mpp) REVERT: C 312 ASP cc_start: 0.7432 (t0) cc_final: 0.6987 (t0) REVERT: C 315 HIS cc_start: 0.8276 (m90) cc_final: 0.7756 (m-70) REVERT: C 319 MET cc_start: 0.7760 (ttt) cc_final: 0.6888 (ttt) REVERT: C 345 ARG cc_start: 0.7993 (mmm160) cc_final: 0.7706 (mmm160) REVERT: C 349 PHE cc_start: 0.8231 (m-80) cc_final: 0.7804 (m-10) REVERT: C 379 ARG cc_start: 0.8255 (ptp90) cc_final: 0.7984 (mtm110) REVERT: C 384 LEU cc_start: 0.7727 (mm) cc_final: 0.7499 (mm) REVERT: C 386 ASN cc_start: 0.7574 (t0) cc_final: 0.5509 (t0) REVERT: C 400 LYS cc_start: 0.7988 (ptpt) cc_final: 0.7514 (pttm) REVERT: C 403 LEU cc_start: 0.8578 (mt) cc_final: 0.8372 (mt) REVERT: C 404 MET cc_start: 0.8013 (mtm) cc_final: 0.7013 (mtm) REVERT: C 408 ARG cc_start: 0.7197 (mmt180) cc_final: 0.6597 (mmt180) REVERT: C 410 PHE cc_start: 0.7990 (m-80) cc_final: 0.7477 (m-80) REVERT: C 413 TRP cc_start: 0.8028 (m100) cc_final: 0.7729 (m100) REVERT: C 414 TYR cc_start: 0.8558 (m-80) cc_final: 0.8163 (m-80) REVERT: C 421 GLU cc_start: 0.6468 (tp30) cc_final: 0.6159 (tp30) REVERT: C 426 GLU cc_start: 0.8363 (mm-30) cc_final: 0.7965 (mm-30) REVERT: C 431 MET cc_start: 0.8397 (mmm) cc_final: 0.7937 (mmm) REVERT: C 440 GLU cc_start: 0.7452 (mt-10) cc_final: 0.6952 (mt-10) REVERT: L 20 PHE cc_start: 0.8763 (t80) cc_final: 0.7914 (t80) REVERT: L 21 TRP cc_start: 0.8565 (m100) cc_final: 0.7911 (m100) REVERT: L 22 GLU cc_start: 0.8392 (mt-10) cc_final: 0.8100 (tm-30) REVERT: L 24 ILE cc_start: 0.8927 (pt) cc_final: 0.8591 (pt) REVERT: L 67 ASP cc_start: 0.7338 (t70) cc_final: 0.7007 (t70) REVERT: L 73 MET cc_start: 0.8076 (mmt) cc_final: 0.7428 (mmt) REVERT: L 92 PHE cc_start: 0.8514 (p90) cc_final: 0.8171 (p90) REVERT: L 123 GLU cc_start: 0.8839 (mm-30) cc_final: 0.8619 (mm-30) REVERT: L 136 THR cc_start: 0.6517 (p) cc_final: 0.6264 (p) REVERT: L 147 MET cc_start: 0.7595 (tmm) cc_final: 0.7156 (tmm) REVERT: L 153 SER cc_start: 0.7968 (m) cc_final: 0.7566 (m) REVERT: L 154 LYS cc_start: 0.8479 (mmtt) cc_final: 0.7626 (mmtt) REVERT: L 157 GLU cc_start: 0.8446 (mt-10) cc_final: 0.8070 (mt-10) REVERT: L 164 MET cc_start: 0.7018 (mtp) cc_final: 0.6375 (mtp) REVERT: L 165 ASN cc_start: 0.7168 (t0) cc_final: 0.6225 (t0) REVERT: L 181 GLU cc_start: 0.7901 (mt-10) cc_final: 0.7357 (mt-10) REVERT: L 187 LEU cc_start: 0.8361 (mt) cc_final: 0.7876 (mt) REVERT: L 191 GLN cc_start: 0.8192 (mp-120) cc_final: 0.7538 (mp-120) REVERT: L 197 ASP cc_start: 0.7247 (m-30) cc_final: 0.6879 (m-30) REVERT: L 198 GLU cc_start: 0.7430 (pt0) cc_final: 0.7000 (pt0) REVERT: L 222 TYR cc_start: 0.7941 (m-10) cc_final: 0.7707 (m-10) REVERT: L 227 HIS cc_start: 0.7594 (m90) cc_final: 0.7213 (m90) REVERT: L 233 MET cc_start: 0.8862 (mtp) cc_final: 0.8375 (mtp) REVERT: L 241 ARG cc_start: 0.7503 (mtm110) cc_final: 0.6943 (ttp-110) REVERT: L 253 LEU cc_start: 0.8572 (mp) cc_final: 0.8207 (mp) REVERT: L 266 PHE cc_start: 0.7821 (m-10) cc_final: 0.7585 (m-10) REVERT: L 270 PHE cc_start: 0.7247 (t80) cc_final: 0.6650 (t80) REVERT: L 273 LEU cc_start: 0.8248 (mt) cc_final: 0.7941 (mt) REVERT: L 286 VAL cc_start: 0.8977 (m) cc_final: 0.8678 (p) REVERT: L 289 LEU cc_start: 0.8981 (mt) cc_final: 0.8098 (mt) REVERT: L 292 GLN cc_start: 0.8295 (tt0) cc_final: 0.7845 (tt0) REVERT: L 293 MET cc_start: 0.7686 (mmm) cc_final: 0.6966 (mmm) REVERT: L 323 MET cc_start: 0.7925 (mmp) cc_final: 0.7543 (mmp) REVERT: L 324 LYS cc_start: 0.8165 (ttpt) cc_final: 0.7328 (ttpt) REVERT: L 327 ASP cc_start: 0.8695 (m-30) cc_final: 0.8012 (p0) REVERT: L 336 LYS cc_start: 0.8479 (mtmt) cc_final: 0.8139 (mtmm) REVERT: L 341 PHE cc_start: 0.7577 (m-80) cc_final: 0.7112 (m-80) REVERT: L 342 VAL cc_start: 0.7937 (m) cc_final: 0.7716 (m) REVERT: L 345 ILE cc_start: 0.8828 (tp) cc_final: 0.8499 (tp) REVERT: L 347 ASN cc_start: 0.7602 (t0) cc_final: 0.6936 (t0) REVERT: L 350 LYS cc_start: 0.8295 (tptp) cc_final: 0.7402 (tptp) REVERT: L 362 LYS cc_start: 0.7762 (mmmt) cc_final: 0.7340 (mmmt) REVERT: L 363 MET cc_start: 0.8217 (tpt) cc_final: 0.7779 (tpp) REVERT: L 390 ARG cc_start: 0.8055 (ptm-80) cc_final: 0.7253 (ptm-80) REVERT: L 407 GLU cc_start: 0.8239 (mt-10) cc_final: 0.7631 (mt-10) REVERT: L 408 PHE cc_start: 0.8083 (m-80) cc_final: 0.7516 (m-80) REVERT: L 414 ASN cc_start: 0.8303 (m110) cc_final: 0.7895 (m110) REVERT: L 415 MET cc_start: 0.8184 (tpt) cc_final: 0.7917 (tpt) REVERT: L 421 GLU cc_start: 0.8232 (tt0) cc_final: 0.7865 (tt0) REVERT: L 422 TYR cc_start: 0.7815 (m-80) cc_final: 0.6974 (m-80) REVERT: U 22 GLU cc_start: 0.6618 (mt-10) cc_final: 0.6079 (mt-10) REVERT: U 95 MET cc_start: 0.8019 (mmm) cc_final: 0.7238 (mmm) REVERT: U 96 GLU cc_start: 0.7223 (tt0) cc_final: 0.6812 (tt0) REVERT: U 103 GLU cc_start: 0.8112 (tp30) cc_final: 0.7839 (tp30) REVERT: U 178 GLU cc_start: 0.7568 (mt-10) cc_final: 0.7220 (mt-10) REVERT: U 256 LYS cc_start: 0.7804 (mmmt) cc_final: 0.7246 (mmmt) REVERT: U 263 ASN cc_start: 0.8109 (m110) cc_final: 0.7875 (m110) REVERT: U 307 TYR cc_start: 0.8001 (t80) cc_final: 0.7281 (t80) REVERT: U 321 ARG cc_start: 0.7406 (mtm180) cc_final: 0.6963 (mtm180) REVERT: D 11 GLN cc_start: 0.7099 (tp-100) cc_final: 0.6040 (tm-30) REVERT: D 15 GLN cc_start: 0.8454 (mm-40) cc_final: 0.7720 (mm-40) REVERT: D 16 MET cc_start: 0.8428 (mtm) cc_final: 0.7499 (mtm) REVERT: D 31 GLN cc_start: 0.7641 (mt0) cc_final: 0.7116 (mt0) REVERT: D 72 VAL cc_start: 0.7660 (m) cc_final: 0.7182 (p) REVERT: D 83 GLU cc_start: 0.8422 (tm-30) cc_final: 0.8172 (tm-30) REVERT: D 92 LEU cc_start: 0.8042 (mt) cc_final: 0.7608 (mt) REVERT: D 97 GLN cc_start: 0.8034 (mp10) cc_final: 0.7772 (mp10) REVERT: D 119 GLU cc_start: 0.8159 (pp20) cc_final: 0.7867 (pp20) REVERT: D 124 VAL cc_start: 0.8873 (m) cc_final: 0.8650 (p) REVERT: D 125 LEU cc_start: 0.8471 (mm) cc_final: 0.8194 (mm) REVERT: D 144 PHE cc_start: 0.7789 (m-80) cc_final: 0.7508 (m-80) REVERT: D 160 MET cc_start: 0.7883 (tmm) cc_final: 0.7254 (tmm) REVERT: D 182 GLN cc_start: 0.8068 (pp30) cc_final: 0.7668 (pp30) REVERT: D 192 ASN cc_start: 0.8492 (m110) cc_final: 0.8236 (m110) REVERT: D 220 ARG cc_start: 0.7330 (ttt-90) cc_final: 0.6892 (mmm-85) REVERT: D 222 ASN cc_start: 0.8595 (m-40) cc_final: 0.8082 (m-40) REVERT: D 232 ASN cc_start: 0.8533 (m-40) cc_final: 0.8272 (m-40) REVERT: D 265 LEU cc_start: 0.8340 (mm) cc_final: 0.8108 (mm) REVERT: D 286 LYS cc_start: 0.8481 (ttmt) cc_final: 0.8188 (ttmm) REVERT: D 290 GLU cc_start: 0.7151 (tm-30) cc_final: 0.6514 (tm-30) REVERT: D 308 MET cc_start: 0.7170 (mmt) cc_final: 0.6298 (mmt) REVERT: D 310 LYS cc_start: 0.8645 (mmmt) cc_final: 0.8025 (mmmt) REVERT: D 311 CYS cc_start: 0.8415 (m) cc_final: 0.7862 (m) REVERT: D 319 MET cc_start: 0.7029 (mmm) cc_final: 0.6821 (mmm) REVERT: D 325 TYR cc_start: 0.8132 (m-80) cc_final: 0.7618 (m-80) REVERT: D 335 ASN cc_start: 0.8724 (m110) cc_final: 0.8523 (m110) REVERT: D 379 ARG cc_start: 0.8312 (ptp90) cc_final: 0.8077 (ptp-170) REVERT: D 381 VAL cc_start: 0.7919 (p) cc_final: 0.7595 (p) REVERT: D 386 ASN cc_start: 0.7364 (t0) cc_final: 0.7126 (t0) REVERT: D 400 LYS cc_start: 0.8703 (ptpt) cc_final: 0.8180 (ptpp) REVERT: D 401 PHE cc_start: 0.8354 (t80) cc_final: 0.8043 (t80) REVERT: D 404 MET cc_start: 0.8641 (mtm) cc_final: 0.8015 (mmm) REVERT: D 407 LYS cc_start: 0.8580 (mmmt) cc_final: 0.8203 (tppp) REVERT: D 410 PHE cc_start: 0.7975 (m-80) cc_final: 0.7622 (m-80) REVERT: D 413 TRP cc_start: 0.8283 (m100) cc_final: 0.8063 (m100) REVERT: D 421 GLU cc_start: 0.7568 (tp30) cc_final: 0.7222 (tp30) REVERT: D 434 LEU cc_start: 0.8448 (pp) cc_final: 0.8247 (pp) REVERT: D 435 GLU cc_start: 0.8348 (mm-30) cc_final: 0.7859 (mm-30) REVERT: D 437 ASP cc_start: 0.7786 (m-30) cc_final: 0.7151 (m-30) REVERT: D 440 GLU cc_start: 0.8110 (mt-10) cc_final: 0.7519 (mt-10) REVERT: D 441 VAL cc_start: 0.8732 (p) cc_final: 0.8488 (p) REVERT: D 443 ILE cc_start: 0.7190 (mt) cc_final: 0.6723 (mt) REVERT: M 11 GLN cc_start: 0.7223 (tt0) cc_final: 0.6518 (tp40) REVERT: M 26 ASP cc_start: 0.8211 (m-30) cc_final: 0.7740 (m-30) REVERT: M 31 ASP cc_start: 0.7737 (t0) cc_final: 0.7390 (t0) REVERT: M 46 ARG cc_start: 0.7891 (mmt180) cc_final: 0.7591 (mmt180) REVERT: M 62 ARG cc_start: 0.6630 (ttm110) cc_final: 0.6299 (ttm110) REVERT: M 69 GLU cc_start: 0.6337 (tm-30) cc_final: 0.5643 (tm-30) REVERT: M 73 MET cc_start: 0.8462 (mmt) cc_final: 0.7699 (mmt) REVERT: M 74 ASP cc_start: 0.8249 (m-30) cc_final: 0.7934 (m-30) REVERT: M 90 PHE cc_start: 0.8479 (m-80) cc_final: 0.8270 (m-10) REVERT: M 99 ASN cc_start: 0.7775 (m-40) cc_final: 0.7395 (m110) REVERT: M 108 GLU cc_start: 0.7266 (tp30) cc_final: 0.6609 (tp30) REVERT: M 120 VAL cc_start: 0.8899 (m) cc_final: 0.8690 (t) REVERT: M 121 ARG cc_start: 0.8181 (mtt90) cc_final: 0.7905 (ttm-80) REVERT: M 122 LYS cc_start: 0.8491 (ttpp) cc_final: 0.8247 (ttpp) REVERT: M 125 GLU cc_start: 0.7936 (mm-30) cc_final: 0.7656 (mm-30) REVERT: M 134 GLN cc_start: 0.6362 (mm110) cc_final: 0.5913 (mm110) REVERT: M 136 THR cc_start: 0.7346 (m) cc_final: 0.6964 (t) REVERT: M 151 LEU cc_start: 0.8507 (pp) cc_final: 0.7930 (tt) REVERT: M 158 GLU cc_start: 0.8036 (tt0) cc_final: 0.7801 (tt0) REVERT: M 163 ILE cc_start: 0.7592 (mm) cc_final: 0.7363 (mm) REVERT: M 164 MET cc_start: 0.7320 (mtp) cc_final: 0.6228 (mtp) REVERT: M 178 THR cc_start: 0.7731 (t) cc_final: 0.7493 (p) REVERT: M 184 ASN cc_start: 0.8553 (m-40) cc_final: 0.7962 (t0) REVERT: M 195 ASN cc_start: 0.8460 (m-40) cc_final: 0.7505 (m110) REVERT: M 198 GLU cc_start: 0.6385 (pt0) cc_final: 0.5653 (pt0) REVERT: M 202 ILE cc_start: 0.6666 (mt) cc_final: 0.6145 (mt) REVERT: M 208 TYR cc_start: 0.7268 (m-80) cc_final: 0.7017 (m-80) REVERT: M 209 ASP cc_start: 0.7383 (t70) cc_final: 0.6837 (t70) REVERT: M 216 LYS cc_start: 0.8653 (ptpp) cc_final: 0.8319 (ptpp) REVERT: M 233 MET cc_start: 0.8324 (mtp) cc_final: 0.7915 (mtp) REVERT: M 257 MET cc_start: 0.7986 (mmm) cc_final: 0.7309 (mmm) REVERT: M 267 MET cc_start: 0.7578 (mtp) cc_final: 0.7168 (mtp) REVERT: M 276 ARG cc_start: 0.7958 (tmt170) cc_final: 0.7521 (tmt170) REVERT: M 288 GLU cc_start: 0.7263 (tt0) cc_final: 0.6608 (tt0) REVERT: M 289 LEU cc_start: 0.8453 (mt) cc_final: 0.8236 (mt) REVERT: M 290 THR cc_start: 0.8541 (m) cc_final: 0.7750 (p) REVERT: M 292 GLN cc_start: 0.8559 (tt0) cc_final: 0.8310 (tt0) REVERT: M 294 PHE cc_start: 0.7441 (m-10) cc_final: 0.7032 (m-10) REVERT: M 298 ASN cc_start: 0.8682 (t0) cc_final: 0.8253 (t0) REVERT: M 323 MET cc_start: 0.7932 (mmp) cc_final: 0.7413 (mmp) REVERT: M 324 LYS cc_start: 0.8220 (ttpt) cc_final: 0.7563 (ttpt) REVERT: M 325 GLU cc_start: 0.8453 (pt0) cc_final: 0.7671 (pt0) REVERT: M 327 ASP cc_start: 0.8620 (m-30) cc_final: 0.8271 (m-30) REVERT: M 330 MET cc_start: 0.8514 (mmp) cc_final: 0.8203 (mmp) REVERT: M 337 ASN cc_start: 0.8053 (m110) cc_final: 0.7513 (t0) REVERT: M 345 ILE cc_start: 0.8817 (tp) cc_final: 0.8179 (tp) REVERT: M 348 ASN cc_start: 0.8210 (m110) cc_final: 0.7848 (m110) REVERT: M 359 ARG cc_start: 0.7335 (ttm-80) cc_final: 0.6838 (ttm-80) REVERT: M 362 LYS cc_start: 0.8196 (mmmt) cc_final: 0.7699 (mmmt) REVERT: M 367 PHE cc_start: 0.7992 (t80) cc_final: 0.7616 (t80) REVERT: M 375 GLN cc_start: 0.7866 (pt0) cc_final: 0.7332 (pt0) REVERT: M 379 LYS cc_start: 0.8303 (mmtm) cc_final: 0.7646 (mmtm) REVERT: M 392 LYS cc_start: 0.8295 (mtmm) cc_final: 0.7914 (mtmm) REVERT: M 397 TRP cc_start: 0.7551 (m100) cc_final: 0.7147 (m100) REVERT: M 408 PHE cc_start: 0.8810 (m-10) cc_final: 0.8375 (m-10) REVERT: M 415 MET cc_start: 0.7793 (tpt) cc_final: 0.7228 (tpt) REVERT: M 421 GLU cc_start: 0.8120 (tt0) cc_final: 0.7665 (tt0) REVERT: M 424 GLN cc_start: 0.8082 (tm-30) cc_final: 0.7847 (tm-30) REVERT: V 12 MET cc_start: 0.6538 (mpp) cc_final: 0.6103 (mpp) REVERT: V 22 GLU cc_start: 0.7854 (mt-10) cc_final: 0.7499 (mt-10) REVERT: V 28 LYS cc_start: 0.7076 (mmmm) cc_final: 0.6684 (mmmm) REVERT: V 180 MET cc_start: 0.7535 (mpp) cc_final: 0.7251 (mmt) REVERT: V 220 GLU cc_start: 0.6142 (mm-30) cc_final: 0.5699 (mm-30) REVERT: V 252 LYS cc_start: 0.7919 (mttt) cc_final: 0.7535 (mttt) REVERT: V 282 MET cc_start: 0.7145 (tpt) cc_final: 0.6775 (tpt) REVERT: V 284 ARG cc_start: 0.8433 (mtp85) cc_final: 0.7819 (mtp85) REVERT: V 311 GLU cc_start: 0.8188 (pm20) cc_final: 0.7965 (pm20) REVERT: E 3 GLU cc_start: 0.5698 (mp0) cc_final: 0.5352 (mp0) REVERT: E 11 GLN cc_start: 0.7533 (tt0) cc_final: 0.6630 (tm-30) REVERT: E 16 MET cc_start: 0.8358 (mtm) cc_final: 0.7353 (mtm) REVERT: E 18 ASN cc_start: 0.8038 (t0) cc_final: 0.7390 (t0) REVERT: E 22 GLU cc_start: 0.8060 (pt0) cc_final: 0.7285 (pt0) REVERT: E 23 LEU cc_start: 0.8483 (tp) cc_final: 0.7028 (tp) REVERT: E 27 GLU cc_start: 0.8176 (mt-10) cc_final: 0.7431 (mt-10) REVERT: E 70 ARG cc_start: 0.6860 (mpt-90) cc_final: 0.6449 (mpt-90) REVERT: E 104 ASP cc_start: 0.5481 (t0) cc_final: 0.5276 (t0) REVERT: E 125 LEU cc_start: 0.8299 (mm) cc_final: 0.7979 (mm) REVERT: E 138 LEU cc_start: 0.8049 (tp) cc_final: 0.7295 (tp) REVERT: E 160 MET cc_start: 0.7693 (tmm) cc_final: 0.7357 (tmm) REVERT: E 161 GLU cc_start: 0.7969 (tt0) cc_final: 0.7523 (tt0) REVERT: E 170 LYS cc_start: 0.8777 (mttm) cc_final: 0.8558 (mmmm) REVERT: E 189 GLU cc_start: 0.8489 (mt-10) cc_final: 0.7779 (mt-10) REVERT: E 194 ILE cc_start: 0.8549 (tt) cc_final: 0.8265 (tt) REVERT: E 232 ASN cc_start: 0.9087 (m110) cc_final: 0.7477 (m-40) REVERT: E 235 ARG cc_start: 0.8673 (mtt-85) cc_final: 0.7944 (mtt-85) REVERT: E 261 PHE cc_start: 0.8488 (m-80) cc_final: 0.8045 (m-80) REVERT: E 272 HIS cc_start: 0.7021 (p90) cc_final: 0.6426 (p90) REVERT: E 286 LYS cc_start: 0.7931 (ttmm) cc_final: 0.7691 (ttmm) REVERT: E 291 GLN cc_start: 0.6701 (tm-30) cc_final: 0.6443 (tm-30) REVERT: E 312 ASP cc_start: 0.7858 (t0) cc_final: 0.6795 (t70) REVERT: E 315 HIS cc_start: 0.7174 (m90) cc_final: 0.6440 (m90) REVERT: E 319 MET cc_start: 0.6470 (mmm) cc_final: 0.5811 (mmm) REVERT: E 324 LEU cc_start: 0.8594 (mp) cc_final: 0.8376 (mp) REVERT: E 369 VAL cc_start: 0.8544 (t) cc_final: 0.8290 (p) REVERT: E 379 ARG cc_start: 0.8525 (ptp-170) cc_final: 0.8158 (ptp-170) REVERT: E 397 LEU cc_start: 0.9013 (mt) cc_final: 0.8551 (mt) REVERT: E 401 PHE cc_start: 0.8513 (t80) cc_final: 0.7790 (t80) REVERT: E 402 ASP cc_start: 0.8257 (m-30) cc_final: 0.7747 (m-30) REVERT: E 426 GLU cc_start: 0.8119 (mm-30) cc_final: 0.7572 (mm-30) REVERT: E 431 MET cc_start: 0.8276 (mmp) cc_final: 0.7866 (mmp) REVERT: E 434 LEU cc_start: 0.9063 (mm) cc_final: 0.8571 (pp) REVERT: E 438 TYR cc_start: 0.7168 (m-80) cc_final: 0.6462 (m-80) REVERT: N 3 GLU cc_start: 0.6893 (mp0) cc_final: 0.6610 (mp0) REVERT: N 23 VAL cc_start: 0.8582 (p) cc_final: 0.8157 (p) REVERT: N 24 ILE cc_start: 0.8793 (pt) cc_final: 0.8225 (pt) REVERT: N 27 GLU cc_start: 0.8134 (mt-10) cc_final: 0.7815 (mt-10) REVERT: N 36 TYR cc_start: 0.7023 (t80) cc_final: 0.6295 (t80) REVERT: N 50 TYR cc_start: 0.8184 (m-80) cc_final: 0.7849 (m-80) REVERT: N 67 ASP cc_start: 0.7119 (t70) cc_final: 0.6910 (t70) REVERT: N 73 MET cc_start: 0.8559 (mmt) cc_final: 0.8058 (mmt) REVERT: N 74 ASP cc_start: 0.8047 (m-30) cc_final: 0.7745 (m-30) REVERT: N 77 ARG cc_start: 0.7904 (ttm110) cc_final: 0.7165 (ttm110) REVERT: N 94 GLN cc_start: 0.7689 (mt0) cc_final: 0.7430 (mt0) REVERT: N 106 TYR cc_start: 0.8507 (m-80) cc_final: 0.8258 (m-10) REVERT: N 111 GLU cc_start: 0.8046 (pp20) cc_final: 0.7761 (pp20) REVERT: N 121 ARG cc_start: 0.8778 (mtt90) cc_final: 0.8404 (ptp-170) REVERT: N 122 LYS cc_start: 0.8351 (ttpp) cc_final: 0.7830 (ttpp) REVERT: N 128 ASP cc_start: 0.7298 (p0) cc_final: 0.6902 (p0) REVERT: N 129 CYS cc_start: 0.8212 (m) cc_final: 0.7844 (m) REVERT: N 134 GLN cc_start: 0.6955 (tp-100) cc_final: 0.6588 (tp-100) REVERT: N 143 THR cc_start: 0.8676 (t) cc_final: 0.7877 (t) REVERT: N 154 LYS cc_start: 0.8320 (mmpt) cc_final: 0.8000 (mmpt) REVERT: N 159 TYR cc_start: 0.8407 (m-80) cc_final: 0.8135 (m-80) REVERT: N 197 ASP cc_start: 0.6834 (m-30) cc_final: 0.6369 (m-30) REVERT: N 198 GLU cc_start: 0.6283 (pm20) cc_final: 0.5588 (pm20) REVERT: N 204 ASN cc_start: 0.7781 (p0) cc_final: 0.7572 (p0) REVERT: N 205 GLU cc_start: 0.7678 (pt0) cc_final: 0.6576 (pt0) REVERT: N 215 LEU cc_start: 0.8215 (tp) cc_final: 0.7523 (tp) REVERT: N 217 LEU cc_start: 0.8684 (mt) cc_final: 0.8020 (mt) REVERT: N 238 THR cc_start: 0.7266 (m) cc_final: 0.7005 (m) REVERT: N 240 LEU cc_start: 0.8354 (pt) cc_final: 0.7922 (pp) REVERT: N 250 LEU cc_start: 0.8403 (mm) cc_final: 0.8110 (tp) REVERT: N 257 MET cc_start: 0.7580 (mtt) cc_final: 0.7229 (mtt) REVERT: N 262 ARG cc_start: 0.8047 (mtp85) cc_final: 0.7321 (mtt180) REVERT: N 264 HIS cc_start: 0.7706 (p-80) cc_final: 0.7275 (p-80) REVERT: N 276 ARG cc_start: 0.7738 (tmt170) cc_final: 0.7457 (tmt170) REVERT: N 290 THR cc_start: 0.8350 (m) cc_final: 0.7757 (p) REVERT: N 292 GLN cc_start: 0.8588 (tt0) cc_final: 0.7914 (tt0) REVERT: N 293 MET cc_start: 0.7604 (mtt) cc_final: 0.7348 (mtt) REVERT: N 297 LYS cc_start: 0.8061 (mmmt) cc_final: 0.7382 (mmmt) REVERT: N 317 PHE cc_start: 0.7950 (m-80) cc_final: 0.7727 (m-80) REVERT: N 321 MET cc_start: 0.8550 (ptp) cc_final: 0.7658 (ptp) REVERT: N 324 LYS cc_start: 0.8565 (ttpt) cc_final: 0.8182 (ttpt) REVERT: N 326 VAL cc_start: 0.9350 (t) cc_final: 0.8900 (t) REVERT: N 327 ASP cc_start: 0.8840 (m-30) cc_final: 0.8373 (m-30) REVERT: N 330 MET cc_start: 0.8371 (mmp) cc_final: 0.8036 (mmp) REVERT: N 341 PHE cc_start: 0.8524 (m-10) cc_final: 0.8294 (m-10) REVERT: N 347 ASN cc_start: 0.7778 (t0) cc_final: 0.7490 (t0) REVERT: N 351 THR cc_start: 0.7933 (p) cc_final: 0.7663 (p) REVERT: N 363 MET cc_start: 0.7434 (mmm) cc_final: 0.7131 (mmm) REVERT: N 367 PHE cc_start: 0.7814 (t80) cc_final: 0.7480 (t80) REVERT: N 391 ARG cc_start: 0.7402 (ttt180) cc_final: 0.6986 (ttt180) REVERT: N 392 LYS cc_start: 0.7559 (mtmm) cc_final: 0.6913 (mmtm) REVERT: N 395 LEU cc_start: 0.7804 (mt) cc_final: 0.7573 (mt) REVERT: N 397 TRP cc_start: 0.7489 (m100) cc_final: 0.6610 (m100) REVERT: N 403 MET cc_start: 0.7461 (tpt) cc_final: 0.7193 (mmm) REVERT: N 404 ASP cc_start: 0.8500 (t0) cc_final: 0.8299 (t0) REVERT: N 406 MET cc_start: 0.8643 (mmp) cc_final: 0.8237 (mmp) REVERT: N 407 GLU cc_start: 0.8497 (mt-10) cc_final: 0.7837 (mt-10) REVERT: N 410 GLU cc_start: 0.7035 (mt-10) cc_final: 0.6778 (mt-10) REVERT: N 415 MET cc_start: 0.8538 (tpt) cc_final: 0.7786 (tpp) REVERT: N 417 ASP cc_start: 0.7553 (m-30) cc_final: 0.7145 (m-30) REVERT: W 10 LYS cc_start: 0.7140 (mttt) cc_final: 0.6868 (mttt) REVERT: W 28 LYS cc_start: 0.7675 (tmtt) cc_final: 0.7417 (tttm) REVERT: W 32 LYS cc_start: 0.8623 (mmmt) cc_final: 0.8254 (mmmt) REVERT: W 36 GLU cc_start: 0.7555 (mt-10) cc_final: 0.7225 (mt-10) REVERT: W 95 MET cc_start: 0.7128 (mtt) cc_final: 0.6603 (mtt) REVERT: W 103 GLU cc_start: 0.8053 (tp30) cc_final: 0.7508 (tp30) REVERT: W 113 GLN cc_start: 0.8252 (mm-40) cc_final: 0.7916 (mm-40) REVERT: W 171 ARG cc_start: 0.7044 (mtt180) cc_final: 0.6446 (mtt180) REVERT: W 255 ASN cc_start: 0.8085 (m110) cc_final: 0.7686 (m110) REVERT: W 268 LEU cc_start: 0.7983 (mt) cc_final: 0.7770 (mt) REVERT: F 11 GLN cc_start: 0.7652 (tp40) cc_final: 0.7320 (tm-30) REVERT: F 18 ASN cc_start: 0.8848 (t0) cc_final: 0.8482 (t0) REVERT: F 20 CYS cc_start: 0.8347 (p) cc_final: 0.8020 (p) REVERT: F 22 GLU cc_start: 0.8220 (pt0) cc_final: 0.8019 (pt0) REVERT: F 23 LEU cc_start: 0.8702 (tp) cc_final: 0.8183 (tt) REVERT: F 24 TYR cc_start: 0.8038 (m-80) cc_final: 0.7429 (m-80) REVERT: F 27 GLU cc_start: 0.8081 (mt-10) cc_final: 0.7656 (mt-10) REVERT: F 30 ILE cc_start: 0.7310 (mt) cc_final: 0.7095 (pt) REVERT: F 31 GLN cc_start: 0.7449 (mt0) cc_final: 0.6907 (mp10) REVERT: F 79 THR cc_start: 0.7815 (p) cc_final: 0.7386 (p) REVERT: F 96 GLU cc_start: 0.7736 (tt0) cc_final: 0.7293 (tt0) REVERT: F 160 MET cc_start: 0.7756 (tmm) cc_final: 0.6549 (tmm) REVERT: F 169 LYS cc_start: 0.8817 (mtmm) cc_final: 0.8553 (mtmm) REVERT: F 172 LYS cc_start: 0.8345 (ptpp) cc_final: 0.7598 (ptmt) REVERT: F 178 TYR cc_start: 0.5242 (m-10) cc_final: 0.4180 (m-10) REVERT: F 192 ASN cc_start: 0.8144 (m-40) cc_final: 0.7783 (t0) REVERT: F 206 CYS cc_start: 0.7688 (p) cc_final: 0.6898 (p) REVERT: F 209 MET cc_start: 0.6110 (mmp) cc_final: 0.5805 (mmp) REVERT: F 216 TYR cc_start: 0.8013 (m-80) cc_final: 0.7729 (m-80) REVERT: F 221 ARG cc_start: 0.7965 (ttp-110) cc_final: 0.7569 (ttm-80) REVERT: F 277 THR cc_start: 0.7543 (t) cc_final: 0.6833 (m) REVERT: F 285 GLU cc_start: 0.8459 (pm20) cc_final: 0.8128 (pm20) REVERT: F 299 ASN cc_start: 0.8274 (m110) cc_final: 0.7971 (m110) REVERT: F 321 CYS cc_start: 0.8469 (t) cc_final: 0.8214 (t) REVERT: F 355 THR cc_start: 0.7779 (p) cc_final: 0.7355 (p) REVERT: F 358 LYS cc_start: 0.7501 (tptp) cc_final: 0.7266 (tptp) REVERT: F 398 ASP cc_start: 0.7635 (t0) cc_final: 0.7402 (t0) REVERT: F 404 MET cc_start: 0.6866 (mmt) cc_final: 0.6619 (mmt) REVERT: F 412 HIS cc_start: 0.8318 (p90) cc_final: 0.7411 (p90) REVERT: F 414 TYR cc_start: 0.8555 (m-80) cc_final: 0.8293 (m-80) REVERT: F 423 GLU cc_start: 0.8626 (pp20) cc_final: 0.8217 (pp20) REVERT: O 22 GLU cc_start: 0.7975 (pm20) cc_final: 0.7468 (tm-30) REVERT: O 27 GLU cc_start: 0.8726 (mt-10) cc_final: 0.8359 (tt0) REVERT: O 62 ARG cc_start: 0.5971 (mtm-85) cc_final: 0.5487 (mtm-85) REVERT: O 68 LEU cc_start: 0.7930 (tp) cc_final: 0.7574 (tp) REVERT: O 73 MET cc_start: 0.8054 (mmt) cc_final: 0.7300 (mmt) REVERT: O 74 ASP cc_start: 0.8088 (m-30) cc_final: 0.7784 (m-30) REVERT: O 78 SER cc_start: 0.8369 (m) cc_final: 0.7907 (p) REVERT: O 83 GLN cc_start: 0.7841 (mm-40) cc_final: 0.7599 (mm110) REVERT: O 89 ASN cc_start: 0.8710 (m110) cc_final: 0.8437 (m110) REVERT: O 90 PHE cc_start: 0.8622 (m-80) cc_final: 0.7754 (m-80) REVERT: O 92 PHE cc_start: 0.7983 (p90) cc_final: 0.7399 (p90) REVERT: O 123 GLU cc_start: 0.9179 (mm-30) cc_final: 0.8570 (mm-30) REVERT: O 151 LEU cc_start: 0.8637 (pp) cc_final: 0.8339 (pp) REVERT: O 164 MET cc_start: 0.7679 (mtp) cc_final: 0.6287 (mtp) REVERT: O 166 THR cc_start: 0.7399 (p) cc_final: 0.7170 (p) REVERT: O 181 GLU cc_start: 0.7775 (mt-10) cc_final: 0.7037 (mt-10) REVERT: O 192 LEU cc_start: 0.8492 (mt) cc_final: 0.8258 (mt) REVERT: O 195 ASN cc_start: 0.7323 (m-40) cc_final: 0.6479 (m-40) REVERT: O 198 GLU cc_start: 0.7409 (pt0) cc_final: 0.6837 (pt0) REVERT: O 200 TYR cc_start: 0.7762 (m-80) cc_final: 0.7358 (m-80) REVERT: O 209 ASP cc_start: 0.7782 (t70) cc_final: 0.7400 (t70) REVERT: O 213 ARG cc_start: 0.8409 (mtm180) cc_final: 0.8151 (mtm-85) REVERT: O 247 ASN cc_start: 0.6842 (m110) cc_final: 0.6579 (m110) REVERT: O 256 ASN cc_start: 0.7991 (m-40) cc_final: 0.7693 (m-40) REVERT: O 262 ARG cc_start: 0.8423 (mmm160) cc_final: 0.8105 (mmm-85) REVERT: O 276 ARG cc_start: 0.8061 (tmt170) cc_final: 0.7814 (tmt170) REVERT: O 289 LEU cc_start: 0.9050 (mt) cc_final: 0.8748 (mt) REVERT: O 293 MET cc_start: 0.7407 (mtp) cc_final: 0.6868 (mtp) REVERT: O 311 LEU cc_start: 0.6987 (mt) cc_final: 0.6550 (mt) REVERT: O 320 ARG cc_start: 0.6816 (tpt90) cc_final: 0.6319 (tpt90) REVERT: O 327 ASP cc_start: 0.8616 (m-30) cc_final: 0.8228 (m-30) REVERT: O 329 GLN cc_start: 0.8193 (mm-40) cc_final: 0.7827 (mm-40) REVERT: O 362 LYS cc_start: 0.8286 (mmmt) cc_final: 0.7546 (mmmt) REVERT: O 363 MET cc_start: 0.7499 (mmm) cc_final: 0.7240 (mmm) REVERT: O 367 PHE cc_start: 0.7892 (t80) cc_final: 0.7475 (t80) REVERT: O 375 GLN cc_start: 0.7799 (pp30) cc_final: 0.7351 (pp30) REVERT: O 392 LYS cc_start: 0.8568 (mtmm) cc_final: 0.8179 (mtmm) REVERT: O 421 GLU cc_start: 0.7342 (tt0) cc_final: 0.6925 (tt0) REVERT: X 52 PHE cc_start: 0.5560 (m-80) cc_final: 0.4871 (m-80) REVERT: X 61 VAL cc_start: 0.7416 (t) cc_final: 0.7158 (t) REVERT: X 95 MET cc_start: 0.7686 (mmp) cc_final: 0.7384 (mmp) REVERT: X 179 VAL cc_start: 0.7398 (t) cc_final: 0.7184 (t) REVERT: X 180 MET cc_start: 0.7260 (mpp) cc_final: 0.7026 (mpp) REVERT: X 220 GLU cc_start: 0.6107 (mp0) cc_final: 0.5614 (mp0) REVERT: X 306 SER cc_start: 0.7216 (m) cc_final: 0.6974 (p) REVERT: X 321 ARG cc_start: 0.7279 (mtm180) cc_final: 0.6931 (mtm180) REVERT: G 11 GLN cc_start: 0.6623 (tp-100) cc_final: 0.6166 (tp40) REVERT: G 83 GLU cc_start: 0.8347 (tm-30) cc_final: 0.7793 (tm-30) REVERT: G 84 ILE cc_start: 0.9105 (mt) cc_final: 0.8741 (mt) REVERT: G 99 ILE cc_start: 0.7889 (mm) cc_final: 0.7644 (mm) REVERT: G 104 ASP cc_start: 0.6248 (t0) cc_final: 0.5975 (t0) REVERT: G 118 LYS cc_start: 0.8477 (mmtm) cc_final: 0.7990 (mmtm) REVERT: G 119 GLU cc_start: 0.7673 (pp20) cc_final: 0.7019 (pp20) REVERT: G 127 ARG cc_start: 0.8355 (mmm-85) cc_final: 0.8071 (tpp80) REVERT: G 134 GLN cc_start: 0.8512 (tm-30) cc_final: 0.8127 (tp40) REVERT: G 169 LYS cc_start: 0.8589 (ptpp) cc_final: 0.8343 (ptpp) REVERT: G 172 LYS cc_start: 0.7472 (mtmm) cc_final: 0.6840 (mtmm) REVERT: G 174 GLU cc_start: 0.6753 (mp0) cc_final: 0.6057 (mp0) REVERT: G 192 ASN cc_start: 0.8764 (m-40) cc_final: 0.8285 (m-40) REVERT: G 206 CYS cc_start: 0.7547 (p) cc_final: 0.5899 (p) REVERT: G 208 PHE cc_start: 0.7047 (m-10) cc_final: 0.6658 (m-10) REVERT: G 212 ASN cc_start: 0.8496 (m-40) cc_final: 0.8237 (m-40) REVERT: G 230 TYR cc_start: 0.7278 (m-80) cc_final: 0.7017 (m-80) REVERT: G 235 ARG cc_start: 0.7553 (mtt-85) cc_final: 0.7349 (tpp80) REVERT: G 299 ASN cc_start: 0.8674 (m110) cc_final: 0.8447 (m-40) REVERT: G 302 PHE cc_start: 0.8805 (m-80) cc_final: 0.8596 (m-80) REVERT: G 309 VAL cc_start: 0.8519 (p) cc_final: 0.8289 (m) REVERT: G 310 LYS cc_start: 0.8511 (mmmt) cc_final: 0.8051 (mmmt) REVERT: G 312 ASP cc_start: 0.8161 (t0) cc_final: 0.7501 (t0) REVERT: G 315 HIS cc_start: 0.8547 (m90) cc_final: 0.8020 (m-70) REVERT: G 317 LYS cc_start: 0.7735 (mttm) cc_final: 0.7518 (mttt) REVERT: G 321 CYS cc_start: 0.7818 (t) cc_final: 0.7565 (t) REVERT: G 332 LYS cc_start: 0.8255 (pttt) cc_final: 0.7857 (pttt) REVERT: G 338 ILE cc_start: 0.8921 (pt) cc_final: 0.8706 (pt) REVERT: G 344 LYS cc_start: 0.8287 (ttmm) cc_final: 0.7984 (ttmm) REVERT: G 345 ARG cc_start: 0.7946 (mmm160) cc_final: 0.7085 (tpp-160) REVERT: G 347 ILE cc_start: 0.7868 (pt) cc_final: 0.7284 (pt) REVERT: G 348 GLN cc_start: 0.8066 (pt0) cc_final: 0.7699 (mp10) REVERT: G 357 PHE cc_start: 0.7864 (m-80) cc_final: 0.7663 (m-10) REVERT: G 363 TYR cc_start: 0.7264 (m-80) cc_final: 0.6799 (m-80) REVERT: G 369 VAL cc_start: 0.8379 (t) cc_final: 0.7944 (p) REVERT: G 376 LYS cc_start: 0.7898 (tptp) cc_final: 0.7590 (tptp) REVERT: G 378 GLN cc_start: 0.8198 (mm110) cc_final: 0.7823 (mm110) REVERT: G 384 LEU cc_start: 0.7085 (mm) cc_final: 0.6752 (mm) REVERT: G 386 ASN cc_start: 0.7409 (t0) cc_final: 0.7178 (t0) REVERT: G 404 MET cc_start: 0.8912 (mtm) cc_final: 0.8614 (mtt) REVERT: G 407 LYS cc_start: 0.8536 (mmmt) cc_final: 0.8068 (mttm) REVERT: G 408 ARG cc_start: 0.7906 (ttm110) cc_final: 0.7307 (ttm110) REVERT: G 423 GLU cc_start: 0.7583 (pm20) cc_final: 0.7379 (pm20) REVERT: G 426 GLU cc_start: 0.8026 (mm-30) cc_final: 0.7171 (mm-30) REVERT: G 428 ARG cc_start: 0.7697 (tpt90) cc_final: 0.7424 (tpt90) REVERT: G 440 GLU cc_start: 0.8018 (mt-10) cc_final: 0.7438 (mt-10) REVERT: P 11 GLN cc_start: 0.7373 (tt0) cc_final: 0.6776 (tm-30) REVERT: P 47 ILE cc_start: 0.8259 (tt) cc_final: 0.7988 (tt) REVERT: P 58 LYS cc_start: 0.7790 (ttmt) cc_final: 0.7560 (ttmt) REVERT: P 59 TYR cc_start: 0.7738 (m-80) cc_final: 0.7391 (m-80) REVERT: P 73 MET cc_start: 0.8313 (mmt) cc_final: 0.7861 (mmt) REVERT: P 74 ASP cc_start: 0.8342 (m-30) cc_final: 0.8022 (m-30) REVERT: P 84 ILE cc_start: 0.7927 (tt) cc_final: 0.7672 (tt) REVERT: P 94 GLN cc_start: 0.7514 (mt0) cc_final: 0.7309 (mt0) REVERT: P 99 ASN cc_start: 0.7916 (m-40) cc_final: 0.7348 (m110) REVERT: P 116 VAL cc_start: 0.8602 (m) cc_final: 0.8265 (t) REVERT: P 123 GLU cc_start: 0.8780 (mm-30) cc_final: 0.8576 (tp30) REVERT: P 133 PHE cc_start: 0.6911 (m-80) cc_final: 0.6710 (m-10) REVERT: P 147 MET cc_start: 0.7559 (tmm) cc_final: 0.7102 (tmm) REVERT: P 154 LYS cc_start: 0.7841 (mmmt) cc_final: 0.7374 (mmmt) REVERT: P 158 GLU cc_start: 0.7834 (tt0) cc_final: 0.6991 (tt0) REVERT: P 159 TYR cc_start: 0.8127 (m-10) cc_final: 0.7701 (m-80) REVERT: P 164 MET cc_start: 0.6615 (mtp) cc_final: 0.6135 (mpp) REVERT: P 165 ASN cc_start: 0.6562 (t0) cc_final: 0.5360 (t0) REVERT: P 170 MET cc_start: 0.7470 (mpp) cc_final: 0.7191 (mmt) REVERT: P 181 GLU cc_start: 0.7217 (mt-10) cc_final: 0.6642 (mt-10) REVERT: P 184 ASN cc_start: 0.8029 (m-40) cc_final: 0.7548 (t0) REVERT: P 194 GLU cc_start: 0.7950 (mp0) cc_final: 0.7705 (mp0) REVERT: P 198 GLU cc_start: 0.6679 (pt0) cc_final: 0.5980 (pt0) REVERT: P 199 THR cc_start: 0.7550 (m) cc_final: 0.7066 (t) REVERT: P 216 LYS cc_start: 0.8951 (ptpt) cc_final: 0.8337 (ptpt) REVERT: P 222 TYR cc_start: 0.7518 (m-80) cc_final: 0.6283 (m-80) REVERT: P 224 ASP cc_start: 0.7990 (m-30) cc_final: 0.7644 (m-30) REVERT: P 225 LEU cc_start: 0.8633 (mm) cc_final: 0.7930 (pp) REVERT: P 262 ARG cc_start: 0.8368 (mtp85) cc_final: 0.7964 (mmm160) REVERT: P 264 HIS cc_start: 0.7933 (p-80) cc_final: 0.7104 (p-80) REVERT: P 289 LEU cc_start: 0.8506 (mt) cc_final: 0.8206 (mt) REVERT: P 292 GLN cc_start: 0.8588 (tt0) cc_final: 0.8312 (tt0) REVERT: P 297 LYS cc_start: 0.8174 (mmmt) cc_final: 0.7581 (mmmt) REVERT: P 300 MET cc_start: 0.7163 (mtm) cc_final: 0.6790 (mtm) REVERT: P 320 ARG cc_start: 0.7169 (mmm160) cc_final: 0.6906 (mmm160) REVERT: P 323 MET cc_start: 0.7862 (mmp) cc_final: 0.6463 (mmt) REVERT: P 327 ASP cc_start: 0.8606 (m-30) cc_final: 0.8227 (m-30) REVERT: P 330 MET cc_start: 0.8317 (mmp) cc_final: 0.7609 (mmp) REVERT: P 334 GLN cc_start: 0.8558 (pt0) cc_final: 0.7830 (pt0) REVERT: P 337 ASN cc_start: 0.8092 (m-40) cc_final: 0.7645 (m-40) REVERT: P 340 TYR cc_start: 0.7455 (m-10) cc_final: 0.7253 (m-80) REVERT: P 345 ILE cc_start: 0.8894 (tp) cc_final: 0.8665 (tp) REVERT: P 348 ASN cc_start: 0.7724 (m-40) cc_final: 0.7485 (m-40) REVERT: P 362 LYS cc_start: 0.7621 (mmmt) cc_final: 0.6483 (mmmt) REVERT: P 363 MET cc_start: 0.7622 (mmm) cc_final: 0.7094 (mmm) REVERT: P 364 SER cc_start: 0.7619 (m) cc_final: 0.7185 (p) REVERT: P 375 GLN cc_start: 0.7957 (pt0) cc_final: 0.7119 (pt0) REVERT: P 379 LYS cc_start: 0.8583 (mmtp) cc_final: 0.7958 (mmtp) REVERT: P 388 MET cc_start: 0.7980 (mtp) cc_final: 0.7432 (tpp) REVERT: P 392 LYS cc_start: 0.8002 (mtmm) cc_final: 0.7403 (mtmm) REVERT: P 395 LEU cc_start: 0.8384 (mt) cc_final: 0.7942 (mt) REVERT: P 397 TRP cc_start: 0.6894 (m100) cc_final: 0.6495 (m-10) REVERT: P 404 ASP cc_start: 0.7791 (t0) cc_final: 0.7570 (t0) REVERT: P 407 GLU cc_start: 0.8148 (mt-10) cc_final: 0.7559 (mt-10) REVERT: P 410 GLU cc_start: 0.7955 (mt-10) cc_final: 0.6928 (tp30) REVERT: P 414 ASN cc_start: 0.8531 (m-40) cc_final: 0.8192 (m-40) REVERT: P 423 GLN cc_start: 0.7965 (tp40) cc_final: 0.7653 (tp-100) REVERT: Z 10 LYS cc_start: 0.7091 (mtpt) cc_final: 0.6806 (mtpt) REVERT: Z 18 LEU cc_start: 0.7802 (mt) cc_final: 0.7502 (mt) REVERT: Z 178 GLU cc_start: 0.7901 (mt-10) cc_final: 0.7455 (mt-10) REVERT: Z 180 MET cc_start: 0.6430 (mmm) cc_final: 0.6024 (mpp) REVERT: Z 182 THR cc_start: 0.7094 (t) cc_final: 0.6777 (t) REVERT: Z 185 GLU cc_start: 0.6313 (pp20) cc_final: 0.5934 (pp20) REVERT: Z 197 MET cc_start: 0.6637 (pmm) cc_final: 0.5891 (pmm) REVERT: Z 240 LYS cc_start: 0.8515 (mtpp) cc_final: 0.8291 (mtpp) REVERT: Z 274 TYR cc_start: 0.6243 (t80) cc_final: 0.5351 (t80) REVERT: Z 277 TYR cc_start: 0.6603 (m-80) cc_final: 0.5871 (m-80) REVERT: Z 282 MET cc_start: 0.7576 (tpt) cc_final: 0.7168 (tpt) REVERT: Z 311 GLU cc_start: 0.8543 (mp0) cc_final: 0.8015 (mp0) REVERT: H 16 MET cc_start: 0.8030 (mtm) cc_final: 0.6967 (mmp) REVERT: H 23 LEU cc_start: 0.8314 (tp) cc_final: 0.7789 (tp) REVERT: H 30 ILE cc_start: 0.7270 (mt) cc_final: 0.7056 (mm) REVERT: H 31 GLN cc_start: 0.7764 (mt0) cc_final: 0.7200 (mt0) REVERT: H 56 THR cc_start: 0.7822 (p) cc_final: 0.7531 (p) REVERT: H 70 ARG cc_start: 0.7151 (mmt90) cc_final: 0.6556 (mpt-90) REVERT: H 83 GLU cc_start: 0.7918 (tm-30) cc_final: 0.7579 (tm-30) REVERT: H 84 ILE cc_start: 0.8952 (mt) cc_final: 0.8639 (mt) REVERT: H 93 PHE cc_start: 0.7024 (m-80) cc_final: 0.6732 (m-80) REVERT: H 96 GLU cc_start: 0.7429 (tt0) cc_final: 0.6980 (tt0) REVERT: H 107 ASN cc_start: 0.7572 (OUTLIER) cc_final: 0.7320 (t0) REVERT: H 120 ILE cc_start: 0.8456 (tp) cc_final: 0.8220 (tp) REVERT: H 125 LEU cc_start: 0.8066 (mm) cc_final: 0.7584 (mm) REVERT: H 127 ARG cc_start: 0.7632 (tpt-90) cc_final: 0.7269 (tpt-90) REVERT: H 160 MET cc_start: 0.7398 (tmm) cc_final: 0.6899 (tmm) REVERT: H 162 ARG cc_start: 0.8226 (mmm160) cc_final: 0.7623 (mmm160) REVERT: H 163 LEU cc_start: 0.8466 (pp) cc_final: 0.8244 (pp) REVERT: H 172 LYS cc_start: 0.7239 (mtpt) cc_final: 0.5462 (ttmt) REVERT: H 174 GLU cc_start: 0.6911 (mp0) cc_final: 0.5998 (mp0) REVERT: H 177 ILE cc_start: 0.7892 (mm) cc_final: 0.7582 (mm) REVERT: H 209 MET cc_start: 0.7613 (mmm) cc_final: 0.7037 (mmm) REVERT: H 211 ASP cc_start: 0.7188 (t0) cc_final: 0.6732 (t0) REVERT: H 213 GLU cc_start: 0.8271 (pt0) cc_final: 0.6944 (pt0) REVERT: H 222 ASN cc_start: 0.8844 (m-40) cc_final: 0.8499 (t0) REVERT: H 232 ASN cc_start: 0.8771 (m110) cc_final: 0.7435 (m110) REVERT: H 235 ARG cc_start: 0.8230 (mtt-85) cc_final: 0.7666 (mtt-85) REVERT: H 257 ASP cc_start: 0.7209 (p0) cc_final: 0.6789 (p0) REVERT: H 260 GLU cc_start: 0.7371 (mm-30) cc_final: 0.7106 (mm-30) REVERT: H 264 ASN cc_start: 0.7335 (p0) cc_final: 0.6950 (p0) REVERT: H 286 LYS cc_start: 0.8226 (tttt) cc_final: 0.7789 (ttmm) REVERT: H 291 GLN cc_start: 0.7964 (tp40) cc_final: 0.7641 (tm-30) REVERT: H 308 MET cc_start: 0.7189 (mpp) cc_final: 0.6776 (mmt) REVERT: H 312 ASP cc_start: 0.8247 (t0) cc_final: 0.7879 (t70) REVERT: H 319 MET cc_start: 0.6339 (mmm) cc_final: 0.5616 (mmm) REVERT: H 332 LYS cc_start: 0.6820 (mtmt) cc_final: 0.5868 (mttp) REVERT: H 338 ILE cc_start: 0.8471 (pt) cc_final: 0.7766 (pt) REVERT: H 342 LYS cc_start: 0.8324 (mttt) cc_final: 0.7664 (mttt) REVERT: H 347 ILE cc_start: 0.7589 (pt) cc_final: 0.7374 (pt) REVERT: H 348 GLN cc_start: 0.6638 (mp10) cc_final: 0.6330 (mp10) REVERT: H 401 PHE cc_start: 0.8468 (t80) cc_final: 0.7693 (t80) REVERT: H 402 ASP cc_start: 0.8187 (m-30) cc_final: 0.7966 (m-30) REVERT: H 405 TYR cc_start: 0.7984 (t80) cc_final: 0.7445 (t80) REVERT: H 407 LYS cc_start: 0.8991 (mmmt) cc_final: 0.8414 (mmmt) REVERT: H 419 MET cc_start: 0.4844 (mmp) cc_final: 0.4602 (mmp) REVERT: H 426 GLU cc_start: 0.7868 (mm-30) cc_final: 0.7170 (mm-30) REVERT: H 430 ASP cc_start: 0.8225 (t0) cc_final: 0.7896 (t0) REVERT: H 431 MET cc_start: 0.8131 (mmp) cc_final: 0.7890 (mmp) REVERT: H 434 LEU cc_start: 0.8619 (pp) cc_final: 0.8187 (pp) REVERT: R 3 GLU cc_start: 0.6579 (mp0) cc_final: 0.6004 (mp0) REVERT: R 24 ILE cc_start: 0.8702 (pt) cc_final: 0.8241 (pt) REVERT: R 27 GLU cc_start: 0.8070 (mt-10) cc_final: 0.7808 (mt-10) REVERT: R 46 ARG cc_start: 0.8606 (mmp80) cc_final: 0.8141 (mmp80) REVERT: R 62 ARG cc_start: 0.6703 (ttm110) cc_final: 0.6408 (ttm110) REVERT: R 66 VAL cc_start: 0.7249 (t) cc_final: 0.6558 (p) REVERT: R 73 MET cc_start: 0.7966 (mmt) cc_final: 0.7402 (mmt) REVERT: R 74 ASP cc_start: 0.8316 (m-30) cc_final: 0.7963 (m-30) REVERT: R 106 TYR cc_start: 0.8418 (m-80) cc_final: 0.7450 (m-80) REVERT: R 123 GLU cc_start: 0.8542 (mm-30) cc_final: 0.7789 (mm-30) REVERT: R 128 ASP cc_start: 0.6763 (p0) cc_final: 0.6381 (p0) REVERT: R 129 CYS cc_start: 0.7140 (t) cc_final: 0.6194 (p) REVERT: R 143 THR cc_start: 0.8576 (t) cc_final: 0.7298 (m) REVERT: R 155 ILE cc_start: 0.8462 (mt) cc_final: 0.8179 (tp) REVERT: R 164 MET cc_start: 0.5894 (mtp) cc_final: 0.5404 (mtp) REVERT: R 174 LYS cc_start: 0.7649 (mmtm) cc_final: 0.7071 (mmtm) REVERT: R 183 TYR cc_start: 0.8015 (m-10) cc_final: 0.7728 (m-80) REVERT: R 188 SER cc_start: 0.8515 (m) cc_final: 0.8172 (p) REVERT: R 205 GLU cc_start: 0.7685 (pt0) cc_final: 0.6738 (pt0) REVERT: R 214 THR cc_start: 0.7037 (p) cc_final: 0.6634 (t) REVERT: R 216 LYS cc_start: 0.8389 (ptmt) cc_final: 0.7979 (ptmt) REVERT: R 217 LEU cc_start: 0.7967 (mm) cc_final: 0.7538 (mm) REVERT: R 224 ASP cc_start: 0.8085 (m-30) cc_final: 0.7689 (m-30) REVERT: R 226 ASN cc_start: 0.7632 (m-40) cc_final: 0.7312 (m-40) REVERT: R 242 PHE cc_start: 0.8391 (m-80) cc_final: 0.8143 (m-80) REVERT: R 261 PRO cc_start: 0.7853 (Cg_exo) cc_final: 0.7326 (Cg_endo) REVERT: R 262 ARG cc_start: 0.7827 (mtp85) cc_final: 0.7138 (mtp180) REVERT: R 264 HIS cc_start: 0.8091 (p-80) cc_final: 0.6985 (p-80) REVERT: R 267 MET cc_start: 0.7246 (ttp) cc_final: 0.6850 (ttp) REVERT: R 273 LEU cc_start: 0.8090 (mt) cc_final: 0.7363 (mt) REVERT: R 276 ARG cc_start: 0.7729 (ppt170) cc_final: 0.7468 (ppt170) REVERT: R 282 ARG cc_start: 0.7578 (ttt90) cc_final: 0.6928 (ttt90) REVERT: R 290 THR cc_start: 0.8791 (m) cc_final: 0.8422 (p) REVERT: R 293 MET cc_start: 0.7754 (mtp) cc_final: 0.7128 (mtp) REVERT: R 297 LYS cc_start: 0.7975 (mmmt) cc_final: 0.7308 (mmmt) REVERT: R 298 ASN cc_start: 0.8479 (t0) cc_final: 0.8192 (t0) REVERT: R 320 ARG cc_start: 0.7372 (ttt-90) cc_final: 0.6991 (ttt-90) REVERT: R 326 VAL cc_start: 0.9088 (t) cc_final: 0.8598 (t) REVERT: R 327 ASP cc_start: 0.8896 (m-30) cc_final: 0.8546 (m-30) REVERT: R 328 GLU cc_start: 0.7390 (pp20) cc_final: 0.6777 (pp20) REVERT: R 330 MET cc_start: 0.8568 (mmp) cc_final: 0.8166 (mmp) REVERT: R 338 SER cc_start: 0.7711 (m) cc_final: 0.7403 (t) REVERT: R 348 ASN cc_start: 0.8453 (m-40) cc_final: 0.8150 (m-40) REVERT: R 359 ARG cc_start: 0.7698 (ttm-80) cc_final: 0.7373 (ttm-80) REVERT: R 362 LYS cc_start: 0.8247 (mmmt) cc_final: 0.7449 (mmtm) REVERT: R 363 MET cc_start: 0.8116 (mmm) cc_final: 0.7552 (mmp) REVERT: R 367 PHE cc_start: 0.8240 (t80) cc_final: 0.7562 (t80) REVERT: R 392 LYS cc_start: 0.7846 (mtmm) cc_final: 0.7308 (mmtm) REVERT: R 403 MET cc_start: 0.7300 (tpp) cc_final: 0.6818 (mmm) REVERT: R 415 MET cc_start: 0.8133 (mmm) cc_final: 0.7621 (mmm) REVERT: R 424 GLN cc_start: 0.8279 (tm130) cc_final: 0.7999 (tm130) REVERT: a 28 LYS cc_start: 0.6996 (tptp) cc_final: 0.6707 (ttpp) REVERT: a 36 GLU cc_start: 0.7207 (mt-10) cc_final: 0.6480 (mt-10) REVERT: a 64 ASP cc_start: 0.7696 (p0) cc_final: 0.7354 (p0) REVERT: a 67 LYS cc_start: 0.6771 (tptt) cc_final: 0.6210 (pttm) REVERT: a 95 MET cc_start: 0.7474 (mtt) cc_final: 0.7125 (mtt) REVERT: a 252 LYS cc_start: 0.7079 (mttt) cc_final: 0.6734 (mttt) REVERT: a 268 LEU cc_start: 0.8433 (mt) cc_final: 0.8200 (mt) REVERT: a 282 MET cc_start: 0.8118 (tpt) cc_final: 0.7609 (tpt) REVERT: a 307 TYR cc_start: 0.6317 (t80) cc_final: 0.5979 (t80) REVERT: a 311 GLU cc_start: 0.8474 (pm20) cc_final: 0.8126 (pm20) outliers start: 1 outliers final: 0 residues processed: 3827 average time/residue: 0.7975 time to fit residues: 5138.6217 Evaluate side-chains 3700 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3699 time to evaluate : 6.734 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 622 optimal weight: 5.9990 chunk 401 optimal weight: 0.3980 chunk 600 optimal weight: 10.0000 chunk 303 optimal weight: 5.9990 chunk 197 optimal weight: 4.9990 chunk 194 optimal weight: 10.0000 chunk 639 optimal weight: 0.0870 chunk 685 optimal weight: 0.9980 chunk 497 optimal weight: 1.9990 chunk 93 optimal weight: 0.9980 chunk 790 optimal weight: 8.9990 overall best weight: 0.8960 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** I 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 35 GLN ** I 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 262 GLN I 306 ASN I 348 GLN ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 307 HIS ** Q 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 375 GLN ** A 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 198 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 307 GLN J 57 ASN J 89 ASN J 292 GLN J 307 HIS S 263 ASN ** B 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 190 HIS ** T 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 307 GLN ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 99 ASN ** L 184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 334 GLN ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 203 HIS D 289 HIS ** D 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 299 ASN D 412 HIS M 247 ASN ** M 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 222 ASN E 255 ASN E 262 GLN E 335 ASN ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 211 ASN W 308 ASN ** W 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 255 ASN ** F 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 37 HIS ** O 52 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 60 GLN X 117 ASN ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 216 ASN G 198 HIS ** G 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 134 GLN Z 60 GLN Z 211 ASN ** Z 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 28 HIS ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 262 GLN ** R 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 99 ASN ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 307 HIS ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 58 GLN ** a 255 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 41 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6707 moved from start: 0.6059 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.070 85869 Z= 0.174 Angle : 0.616 10.990 116442 Z= 0.309 Chirality : 0.046 0.309 12780 Planarity : 0.004 0.127 15093 Dihedral : 8.793 170.057 12231 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 16.63 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.98 % Favored : 97.02 % Rotamer: Outliers : 0.01 % Allowed : 0.81 % Favored : 99.18 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.73 (0.08), residues: 10530 helix: -0.17 (0.08), residues: 4185 sheet: -0.36 (0.12), residues: 1836 loop : -0.67 (0.09), residues: 4509 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.047 0.002 TRP J 397 HIS 0.016 0.001 HIS B 8 PHE 0.031 0.002 PHE a 82 TYR 0.045 0.002 TYR D 178 ARG 0.017 0.001 ARG Z 171 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3788 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3787 time to evaluate : 6.965 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 16 MET cc_start: 0.8454 (mtm) cc_final: 0.8241 (mtm) REVERT: I 23 LEU cc_start: 0.8672 (tp) cc_final: 0.8325 (tp) REVERT: I 31 GLN cc_start: 0.7535 (mt0) cc_final: 0.7266 (mt0) REVERT: I 61 GLU cc_start: 0.6320 (tm-30) cc_final: 0.6043 (tm-30) REVERT: I 72 VAL cc_start: 0.7633 (m) cc_final: 0.7247 (p) REVERT: I 83 GLU cc_start: 0.8362 (tm-30) cc_final: 0.7961 (tm-30) REVERT: I 96 GLU cc_start: 0.7522 (tt0) cc_final: 0.7009 (tt0) REVERT: I 119 GLU cc_start: 0.7952 (pp20) cc_final: 0.7628 (pp20) REVERT: I 127 ARG cc_start: 0.8605 (tpp80) cc_final: 0.6761 (tpt-90) REVERT: I 134 GLN cc_start: 0.8496 (tm-30) cc_final: 0.8095 (tm-30) REVERT: I 158 LEU cc_start: 0.8550 (tp) cc_final: 0.8092 (tt) REVERT: I 160 MET cc_start: 0.8005 (tmm) cc_final: 0.6871 (tmm) REVERT: I 161 GLU cc_start: 0.8153 (tt0) cc_final: 0.7636 (tm-30) REVERT: I 167 TYR cc_start: 0.7148 (m-10) cc_final: 0.6905 (m-10) REVERT: I 172 LYS cc_start: 0.8018 (mtmm) cc_final: 0.7560 (mtmm) REVERT: I 178 TYR cc_start: 0.5611 (m-10) cc_final: 0.5206 (m-10) REVERT: I 196 THR cc_start: 0.8336 (t) cc_final: 0.8098 (t) REVERT: I 212 ASN cc_start: 0.8285 (m-40) cc_final: 0.7983 (m-40) REVERT: I 215 ILE cc_start: 0.8632 (tt) cc_final: 0.8430 (tt) REVERT: I 217 ASP cc_start: 0.7478 (t0) cc_final: 0.7177 (t0) REVERT: I 218 ILE cc_start: 0.8567 (mm) cc_final: 0.8242 (mm) REVERT: I 235 ARG cc_start: 0.7919 (mtt-85) cc_final: 0.7424 (mtt-85) REVERT: I 257 ASP cc_start: 0.7313 (p0) cc_final: 0.6572 (p0) REVERT: I 290 GLU cc_start: 0.7745 (tp30) cc_final: 0.7067 (mm-30) REVERT: I 291 GLN cc_start: 0.7492 (tm-30) cc_final: 0.7249 (tm-30) REVERT: I 303 GLU cc_start: 0.7963 (pp20) cc_final: 0.7701 (tm-30) REVERT: I 311 CYS cc_start: 0.8530 (m) cc_final: 0.8273 (m) REVERT: I 312 ASP cc_start: 0.7779 (t0) cc_final: 0.6417 (t0) REVERT: I 315 HIS cc_start: 0.7815 (m90) cc_final: 0.6965 (m90) REVERT: I 332 LYS cc_start: 0.7975 (pttm) cc_final: 0.7590 (pttm) REVERT: I 344 LYS cc_start: 0.8234 (ttmm) cc_final: 0.7890 (ttmm) REVERT: I 376 LYS cc_start: 0.8940 (tmtt) cc_final: 0.8471 (tmtt) REVERT: I 379 ARG cc_start: 0.8380 (ptp90) cc_final: 0.6992 (mtm-85) REVERT: I 400 LYS cc_start: 0.8667 (ptpt) cc_final: 0.8184 (ptpp) REVERT: I 404 MET cc_start: 0.8651 (mtm) cc_final: 0.8438 (mtm) REVERT: I 408 ARG cc_start: 0.8373 (mmp80) cc_final: 0.7504 (mmp-170) REVERT: I 421 GLU cc_start: 0.7111 (tp30) cc_final: 0.6058 (tp30) REVERT: I 441 VAL cc_start: 0.8658 (p) cc_final: 0.8324 (p) REVERT: Q 11 GLN cc_start: 0.7365 (tt0) cc_final: 0.6553 (tm-30) REVERT: Q 27 GLU cc_start: 0.8277 (mt-10) cc_final: 0.8014 (mt-10) REVERT: Q 31 ASP cc_start: 0.7075 (t0) cc_final: 0.6724 (t0) REVERT: Q 58 LYS cc_start: 0.7446 (ttmt) cc_final: 0.7238 (ttmt) REVERT: Q 73 MET cc_start: 0.8533 (mmt) cc_final: 0.7591 (mmt) REVERT: Q 89 ASN cc_start: 0.8616 (m-40) cc_final: 0.7874 (m-40) REVERT: Q 99 ASN cc_start: 0.7258 (m-40) cc_final: 0.6998 (m110) REVERT: Q 108 GLU cc_start: 0.7790 (mp0) cc_final: 0.6857 (mp0) REVERT: Q 117 LEU cc_start: 0.8210 (mp) cc_final: 0.8006 (mp) REVERT: Q 121 ARG cc_start: 0.8252 (ttm110) cc_final: 0.8048 (ttm110) REVERT: Q 122 LYS cc_start: 0.8523 (ttpt) cc_final: 0.8292 (ttpt) REVERT: Q 147 MET cc_start: 0.7426 (tmm) cc_final: 0.7026 (tmm) REVERT: Q 158 GLU cc_start: 0.7755 (tt0) cc_final: 0.7033 (tt0) REVERT: Q 159 TYR cc_start: 0.8175 (m-80) cc_final: 0.7418 (m-80) REVERT: Q 164 MET cc_start: 0.7012 (mtp) cc_final: 0.5890 (mtp) REVERT: Q 165 ASN cc_start: 0.7731 (t0) cc_final: 0.7415 (t0) REVERT: Q 178 THR cc_start: 0.7384 (m) cc_final: 0.6673 (m) REVERT: Q 181 GLU cc_start: 0.7479 (mt-10) cc_final: 0.6651 (mt-10) REVERT: Q 194 GLU cc_start: 0.8170 (mp0) cc_final: 0.7876 (mp0) REVERT: Q 195 ASN cc_start: 0.7959 (m-40) cc_final: 0.6880 (m-40) REVERT: Q 196 THR cc_start: 0.7806 (t) cc_final: 0.7393 (t) REVERT: Q 197 ASP cc_start: 0.6775 (m-30) cc_final: 0.6520 (m-30) REVERT: Q 198 GLU cc_start: 0.6285 (pt0) cc_final: 0.5908 (pt0) REVERT: Q 209 ASP cc_start: 0.6891 (t70) cc_final: 0.6535 (t70) REVERT: Q 216 LYS cc_start: 0.8543 (ptpt) cc_final: 0.8325 (ptpt) REVERT: Q 240 LEU cc_start: 0.8296 (pp) cc_final: 0.8031 (pp) REVERT: Q 257 MET cc_start: 0.7208 (mmm) cc_final: 0.6777 (mmm) REVERT: Q 262 ARG cc_start: 0.8512 (mmm160) cc_final: 0.7727 (mmm-85) REVERT: Q 264 HIS cc_start: 0.8039 (p-80) cc_final: 0.7279 (p-80) REVERT: Q 300 MET cc_start: 0.7453 (mtm) cc_final: 0.6880 (mtm) REVERT: Q 321 MET cc_start: 0.8459 (ptp) cc_final: 0.8043 (ptp) REVERT: Q 327 ASP cc_start: 0.8229 (m-30) cc_final: 0.7978 (m-30) REVERT: Q 330 MET cc_start: 0.8051 (mmp) cc_final: 0.7445 (mmp) REVERT: Q 331 LEU cc_start: 0.8661 (tp) cc_final: 0.8384 (tp) REVERT: Q 337 ASN cc_start: 0.7440 (m-40) cc_final: 0.6343 (p0) REVERT: Q 350 LYS cc_start: 0.7507 (tptp) cc_final: 0.6973 (tptp) REVERT: Q 354 CYS cc_start: 0.8375 (t) cc_final: 0.7750 (p) REVERT: Q 362 LYS cc_start: 0.7863 (mmmt) cc_final: 0.7062 (mmmt) REVERT: Q 363 MET cc_start: 0.7772 (mmm) cc_final: 0.7108 (mmm) REVERT: Q 404 ASP cc_start: 0.8374 (t0) cc_final: 0.7406 (t0) REVERT: Q 407 GLU cc_start: 0.8309 (mt-10) cc_final: 0.7428 (pt0) REVERT: Q 422 TYR cc_start: 0.7437 (m-80) cc_final: 0.7235 (m-80) REVERT: Q 424 GLN cc_start: 0.7630 (tt0) cc_final: 0.7378 (tt0) REVERT: Y 32 LYS cc_start: 0.7389 (tppt) cc_final: 0.6609 (mttp) REVERT: Y 37 ASP cc_start: 0.6844 (p0) cc_final: 0.6610 (p0) REVERT: Y 93 HIS cc_start: 0.7901 (t-90) cc_final: 0.6886 (t-90) REVERT: Y 101 ASP cc_start: 0.5715 (t70) cc_final: 0.5316 (t0) REVERT: Y 147 ASP cc_start: 0.7171 (m-30) cc_final: 0.6885 (m-30) REVERT: Y 178 GLU cc_start: 0.7839 (mt-10) cc_final: 0.7186 (mt-10) REVERT: Y 220 GLU cc_start: 0.6313 (mm-30) cc_final: 0.5812 (mm-30) REVERT: Y 282 MET cc_start: 0.7764 (tpt) cc_final: 0.7467 (tpt) REVERT: Y 287 GLN cc_start: 0.8081 (tt0) cc_final: 0.7647 (tt0) REVERT: Y 309 GLU cc_start: 0.8564 (tp30) cc_final: 0.8302 (tp30) REVERT: A 11 GLN cc_start: 0.7248 (tt0) cc_final: 0.6226 (tm-30) REVERT: A 16 MET cc_start: 0.8385 (mtm) cc_final: 0.7612 (mtm) REVERT: A 18 ASN cc_start: 0.7870 (t0) cc_final: 0.7660 (t0) REVERT: A 20 CYS cc_start: 0.8498 (p) cc_final: 0.8283 (p) REVERT: A 22 GLU cc_start: 0.7305 (pt0) cc_final: 0.6939 (pt0) REVERT: A 23 LEU cc_start: 0.8436 (tp) cc_final: 0.7270 (tp) REVERT: A 24 TYR cc_start: 0.8088 (m-80) cc_final: 0.7256 (m-80) REVERT: A 27 GLU cc_start: 0.8113 (mt-10) cc_final: 0.7833 (mt-10) REVERT: A 70 ARG cc_start: 0.6945 (mmt90) cc_final: 0.6482 (mmt90) REVERT: A 73 PHE cc_start: 0.8024 (m-10) cc_final: 0.6802 (m-10) REVERT: A 79 THR cc_start: 0.7263 (p) cc_final: 0.6540 (p) REVERT: A 93 PHE cc_start: 0.6993 (m-80) cc_final: 0.5914 (m-80) REVERT: A 97 GLN cc_start: 0.8182 (mt0) cc_final: 0.7342 (mt0) REVERT: A 121 ILE cc_start: 0.8572 (pt) cc_final: 0.8357 (pt) REVERT: A 129 ARG cc_start: 0.8424 (mmm160) cc_final: 0.8018 (mmm160) REVERT: A 160 MET cc_start: 0.7938 (tmm) cc_final: 0.7581 (tmm) REVERT: A 161 GLU cc_start: 0.8009 (tt0) cc_final: 0.7574 (tt0) REVERT: A 163 LEU cc_start: 0.8833 (pp) cc_final: 0.8457 (tt) REVERT: A 169 LYS cc_start: 0.8209 (ptmm) cc_final: 0.7878 (ttpp) REVERT: A 170 LYS cc_start: 0.8133 (tppt) cc_final: 0.7609 (tppp) REVERT: A 174 GLU cc_start: 0.7257 (mp0) cc_final: 0.6876 (mp0) REVERT: A 189 GLU cc_start: 0.8603 (pt0) cc_final: 0.8007 (pt0) REVERT: A 191 TYR cc_start: 0.7779 (m-10) cc_final: 0.7482 (m-10) REVERT: A 192 ASN cc_start: 0.8839 (m110) cc_final: 0.8407 (m110) REVERT: A 203 HIS cc_start: 0.8251 (m170) cc_final: 0.7756 (m90) REVERT: A 213 GLU cc_start: 0.7706 (pt0) cc_final: 0.7385 (pt0) REVERT: A 218 ILE cc_start: 0.8679 (mm) cc_final: 0.8432 (mm) REVERT: A 232 ASN cc_start: 0.8482 (m110) cc_final: 0.8277 (m110) REVERT: A 258 LEU cc_start: 0.8324 (mt) cc_final: 0.8102 (mt) REVERT: A 261 PHE cc_start: 0.8036 (m-80) cc_final: 0.7521 (m-80) REVERT: A 309 VAL cc_start: 0.8357 (p) cc_final: 0.8153 (m) REVERT: A 342 LYS cc_start: 0.8348 (mttt) cc_final: 0.7658 (mttt) REVERT: A 345 ARG cc_start: 0.7673 (mmm160) cc_final: 0.7191 (mmp80) REVERT: A 348 GLN cc_start: 0.7125 (mp10) cc_final: 0.6717 (mp10) REVERT: A 352 TRP cc_start: 0.5530 (m100) cc_final: 0.5285 (m100) REVERT: A 363 TYR cc_start: 0.7786 (m-80) cc_final: 0.7267 (m-10) REVERT: A 396 ARG cc_start: 0.8251 (ttp-110) cc_final: 0.8027 (ttp-110) REVERT: A 397 LEU cc_start: 0.8819 (mt) cc_final: 0.8475 (mt) REVERT: A 401 PHE cc_start: 0.8531 (t80) cc_final: 0.7887 (t80) REVERT: A 402 ASP cc_start: 0.8207 (m-30) cc_final: 0.8002 (m-30) REVERT: A 404 MET cc_start: 0.8375 (mtm) cc_final: 0.7880 (mtm) REVERT: A 405 TYR cc_start: 0.8289 (t80) cc_final: 0.7771 (t80) REVERT: A 407 LYS cc_start: 0.8649 (mmmt) cc_final: 0.8237 (mmmt) REVERT: A 408 ARG cc_start: 0.7777 (mmt180) cc_final: 0.7196 (mmt90) REVERT: A 424 PHE cc_start: 0.8336 (m-10) cc_final: 0.7818 (m-10) REVERT: A 430 ASP cc_start: 0.8617 (t0) cc_final: 0.8268 (t0) REVERT: A 437 ASP cc_start: 0.6159 (m-30) cc_final: 0.5527 (m-30) REVERT: A 440 GLU cc_start: 0.7132 (mt-10) cc_final: 0.6855 (mt-10) REVERT: J 3 GLU cc_start: 0.6504 (mp0) cc_final: 0.6001 (mp0) REVERT: J 11 GLN cc_start: 0.7981 (mt0) cc_final: 0.7632 (mt0) REVERT: J 15 GLN cc_start: 0.8651 (mm-40) cc_final: 0.8091 (mp10) REVERT: J 20 PHE cc_start: 0.8613 (t80) cc_final: 0.8324 (t80) REVERT: J 47 ILE cc_start: 0.8109 (tt) cc_final: 0.7813 (tt) REVERT: J 48 ASN cc_start: 0.7940 (p0) cc_final: 0.7663 (p0) REVERT: J 58 LYS cc_start: 0.7934 (tttt) cc_final: 0.7584 (tttt) REVERT: J 59 TYR cc_start: 0.7402 (m-80) cc_final: 0.7123 (m-80) REVERT: J 62 ARG cc_start: 0.7170 (ptp-110) cc_final: 0.6949 (ptp-110) REVERT: J 64 ILE cc_start: 0.7636 (mp) cc_final: 0.7376 (mp) REVERT: J 72 THR cc_start: 0.8786 (p) cc_final: 0.8434 (t) REVERT: J 73 MET cc_start: 0.8255 (mmt) cc_final: 0.7523 (mmt) REVERT: J 74 ASP cc_start: 0.7789 (m-30) cc_final: 0.7413 (m-30) REVERT: J 84 ILE cc_start: 0.8253 (tt) cc_final: 0.7960 (tp) REVERT: J 89 ASN cc_start: 0.8188 (m110) cc_final: 0.7708 (m-40) REVERT: J 90 PHE cc_start: 0.8094 (m-80) cc_final: 0.7220 (m-80) REVERT: J 100 ASN cc_start: 0.8305 (t0) cc_final: 0.7713 (t0) REVERT: J 108 GLU cc_start: 0.8048 (mm-30) cc_final: 0.7002 (tp30) REVERT: J 121 ARG cc_start: 0.8533 (mtt180) cc_final: 0.7728 (ttm110) REVERT: J 122 LYS cc_start: 0.8301 (ttpp) cc_final: 0.7855 (ttpp) REVERT: J 136 THR cc_start: 0.6775 (p) cc_final: 0.6336 (p) REVERT: J 143 THR cc_start: 0.8382 (t) cc_final: 0.7672 (t) REVERT: J 155 ILE cc_start: 0.8824 (mt) cc_final: 0.8454 (tp) REVERT: J 164 MET cc_start: 0.8447 (pmm) cc_final: 0.8160 (pmm) REVERT: J 178 THR cc_start: 0.6512 (m) cc_final: 0.6051 (m) REVERT: J 181 GLU cc_start: 0.7390 (mt-10) cc_final: 0.6724 (mt-10) REVERT: J 186 THR cc_start: 0.8931 (p) cc_final: 0.8670 (t) REVERT: J 194 GLU cc_start: 0.6640 (pm20) cc_final: 0.6319 (pm20) REVERT: J 198 GLU cc_start: 0.7044 (pt0) cc_final: 0.6411 (pt0) REVERT: J 208 TYR cc_start: 0.7475 (m-80) cc_final: 0.6927 (m-80) REVERT: J 209 ASP cc_start: 0.6873 (t70) cc_final: 0.6413 (t0) REVERT: J 233 MET cc_start: 0.8318 (mmm) cc_final: 0.7882 (mmp) REVERT: J 250 LEU cc_start: 0.8506 (mt) cc_final: 0.8227 (tp) REVERT: J 251 ARG cc_start: 0.8080 (tpt-90) cc_final: 0.7524 (tpt-90) REVERT: J 257 MET cc_start: 0.7186 (mmm) cc_final: 0.6978 (mmm) REVERT: J 261 PRO cc_start: 0.8101 (Cg_exo) cc_final: 0.7518 (Cg_endo) REVERT: J 262 ARG cc_start: 0.8134 (mtt180) cc_final: 0.7484 (mtt180) REVERT: J 264 HIS cc_start: 0.8052 (p-80) cc_final: 0.6846 (p-80) REVERT: J 267 MET cc_start: 0.7838 (tpt) cc_final: 0.7593 (tpt) REVERT: J 297 LYS cc_start: 0.7824 (mmmt) cc_final: 0.7085 (mmmt) REVERT: J 299 MET cc_start: 0.6982 (mtp) cc_final: 0.6761 (mtp) REVERT: J 300 MET cc_start: 0.7404 (ptp) cc_final: 0.6227 (ptp) REVERT: J 321 MET cc_start: 0.8279 (ptp) cc_final: 0.7656 (ptp) REVERT: J 323 MET cc_start: 0.7809 (mmp) cc_final: 0.7093 (mmp) REVERT: J 324 LYS cc_start: 0.8281 (ttpt) cc_final: 0.7120 (ttpt) REVERT: J 327 ASP cc_start: 0.8388 (m-30) cc_final: 0.7943 (p0) REVERT: J 328 GLU cc_start: 0.6937 (pp20) cc_final: 0.6653 (pp20) REVERT: J 330 MET cc_start: 0.8120 (mmp) cc_final: 0.7596 (mmp) REVERT: J 345 ILE cc_start: 0.8620 (tp) cc_final: 0.8316 (tp) REVERT: J 347 ASN cc_start: 0.7221 (t0) cc_final: 0.6782 (t0) REVERT: J 370 ASN cc_start: 0.6897 (p0) cc_final: 0.6533 (p0) REVERT: J 379 LYS cc_start: 0.7884 (mmtm) cc_final: 0.7440 (mmtm) REVERT: J 389 PHE cc_start: 0.7852 (t80) cc_final: 0.7614 (t80) REVERT: J 390 ARG cc_start: 0.8187 (ttp80) cc_final: 0.7855 (ttp80) REVERT: J 392 LYS cc_start: 0.7861 (mtmm) cc_final: 0.7429 (mmtm) REVERT: J 395 LEU cc_start: 0.7882 (mt) cc_final: 0.7599 (mt) REVERT: J 397 TRP cc_start: 0.7236 (m100) cc_final: 0.6915 (m-10) REVERT: J 404 ASP cc_start: 0.8308 (t0) cc_final: 0.7825 (t0) REVERT: J 407 GLU cc_start: 0.8173 (mt-10) cc_final: 0.7711 (mt-10) REVERT: J 410 GLU cc_start: 0.8018 (mt-10) cc_final: 0.7448 (mt-10) REVERT: J 415 MET cc_start: 0.8237 (tpt) cc_final: 0.7374 (mmm) REVERT: J 421 GLU cc_start: 0.8115 (tt0) cc_final: 0.7792 (tt0) REVERT: J 423 GLN cc_start: 0.8480 (tp-100) cc_final: 0.8082 (tp-100) REVERT: S 18 LEU cc_start: 0.7495 (mt) cc_final: 0.7168 (mt) REVERT: S 32 LYS cc_start: 0.7986 (mmpt) cc_final: 0.7545 (mtmm) REVERT: S 36 GLU cc_start: 0.7503 (mt-10) cc_final: 0.6836 (mt-10) REVERT: S 40 VAL cc_start: 0.7380 (t) cc_final: 0.7178 (t) REVERT: S 41 ILE cc_start: 0.6760 (mm) cc_final: 0.6395 (mm) REVERT: S 103 GLU cc_start: 0.8053 (tp30) cc_final: 0.7640 (tp30) REVERT: S 131 LYS cc_start: 0.7377 (mtmm) cc_final: 0.6663 (mtmm) REVERT: S 178 GLU cc_start: 0.8347 (mt-10) cc_final: 0.7684 (mt-10) REVERT: S 210 ILE cc_start: 0.7690 (mp) cc_final: 0.7337 (mp) REVERT: S 217 THR cc_start: 0.6451 (m) cc_final: 0.5729 (p) REVERT: S 220 GLU cc_start: 0.5090 (mm-30) cc_final: 0.4787 (mm-30) REVERT: S 227 LEU cc_start: 0.8022 (tp) cc_final: 0.7713 (tp) REVERT: S 229 LEU cc_start: 0.7512 (mp) cc_final: 0.7079 (mp) REVERT: S 252 LYS cc_start: 0.7287 (mttt) cc_final: 0.7061 (mttt) REVERT: S 307 TYR cc_start: 0.6613 (t80) cc_final: 0.5738 (t80) REVERT: S 311 GLU cc_start: 0.8726 (pm20) cc_final: 0.8359 (pm20) REVERT: B 11 GLN cc_start: 0.7839 (tp-100) cc_final: 0.6665 (tm-30) REVERT: B 15 GLN cc_start: 0.8544 (mm-40) cc_final: 0.7774 (mm-40) REVERT: B 16 MET cc_start: 0.8896 (tpt) cc_final: 0.8518 (tpt) REVERT: B 23 LEU cc_start: 0.8457 (tp) cc_final: 0.8256 (tp) REVERT: B 24 TYR cc_start: 0.8292 (m-80) cc_final: 0.7310 (m-80) REVERT: B 31 GLN cc_start: 0.8148 (mt0) cc_final: 0.7786 (mt0) REVERT: B 36 MET cc_start: 0.7086 (tmm) cc_final: 0.6494 (tmm) REVERT: B 75 ASP cc_start: 0.6565 (t0) cc_final: 0.6328 (t0) REVERT: B 80 VAL cc_start: 0.9176 (m) cc_final: 0.8937 (m) REVERT: B 83 GLU cc_start: 0.7799 (tm-30) cc_final: 0.7370 (tm-30) REVERT: B 84 ILE cc_start: 0.8647 (mm) cc_final: 0.7876 (mm) REVERT: B 120 ILE cc_start: 0.8495 (tp) cc_final: 0.8293 (mm) REVERT: B 139 GLN cc_start: 0.7075 (mp10) cc_final: 0.6796 (mp10) REVERT: B 192 ASN cc_start: 0.8544 (m110) cc_final: 0.8191 (m110) REVERT: B 232 ASN cc_start: 0.8359 (m-40) cc_final: 0.8143 (m-40) REVERT: B 265 LEU cc_start: 0.8244 (mm) cc_final: 0.7930 (mm) REVERT: B 282 ILE cc_start: 0.7796 (tp) cc_final: 0.7429 (tp) REVERT: B 286 LYS cc_start: 0.7914 (ttmt) cc_final: 0.7591 (ttmt) REVERT: B 299 ASN cc_start: 0.8028 (m110) cc_final: 0.7785 (m110) REVERT: B 308 MET cc_start: 0.7757 (mmt) cc_final: 0.7263 (mmt) REVERT: B 312 ASP cc_start: 0.7074 (t0) cc_final: 0.6790 (t0) REVERT: B 315 HIS cc_start: 0.8021 (m90) cc_final: 0.7770 (m-70) REVERT: B 317 LYS cc_start: 0.7778 (mttm) cc_final: 0.6983 (mttm) REVERT: B 318 TYR cc_start: 0.8305 (m-10) cc_final: 0.8028 (m-10) REVERT: B 319 MET cc_start: 0.7421 (mmm) cc_final: 0.6192 (mmm) REVERT: B 322 CYS cc_start: 0.7528 (t) cc_final: 0.6409 (t) REVERT: B 338 ILE cc_start: 0.8456 (pt) cc_final: 0.8192 (pt) REVERT: B 344 LYS cc_start: 0.6907 (ttmm) cc_final: 0.6489 (ttmm) REVERT: B 358 LYS cc_start: 0.7344 (tmtt) cc_final: 0.7130 (tmtt) REVERT: B 378 GLN cc_start: 0.7613 (mm110) cc_final: 0.7278 (mm110) REVERT: B 385 SER cc_start: 0.8054 (t) cc_final: 0.7758 (m) REVERT: B 386 ASN cc_start: 0.7122 (t0) cc_final: 0.6346 (t0) REVERT: B 400 LYS cc_start: 0.8143 (ptpt) cc_final: 0.7803 (ptpp) REVERT: B 404 MET cc_start: 0.8128 (mtm) cc_final: 0.7914 (mtm) REVERT: B 405 TYR cc_start: 0.7519 (t80) cc_final: 0.6790 (t80) REVERT: B 410 PHE cc_start: 0.8246 (m-80) cc_final: 0.7577 (m-10) REVERT: B 412 HIS cc_start: 0.8012 (p90) cc_final: 0.7616 (p-80) REVERT: B 421 GLU cc_start: 0.6131 (tp30) cc_final: 0.5225 (tp30) REVERT: B 423 GLU cc_start: 0.8507 (pp20) cc_final: 0.7951 (pp20) REVERT: B 426 GLU cc_start: 0.8311 (mm-30) cc_final: 0.7881 (mm-30) REVERT: B 428 ARG cc_start: 0.7794 (tmt170) cc_final: 0.7528 (tmt170) REVERT: B 430 ASP cc_start: 0.8452 (t0) cc_final: 0.8224 (t0) REVERT: B 440 GLU cc_start: 0.7833 (mt-10) cc_final: 0.7208 (mt-10) REVERT: K 11 GLN cc_start: 0.7371 (mt0) cc_final: 0.7017 (mp10) REVERT: K 21 TRP cc_start: 0.8395 (m100) cc_final: 0.7701 (m100) REVERT: K 22 GLU cc_start: 0.8261 (mt-10) cc_final: 0.7844 (mt-10) REVERT: K 27 GLU cc_start: 0.8243 (mt-10) cc_final: 0.7865 (mt-10) REVERT: K 48 ASN cc_start: 0.7320 (p0) cc_final: 0.6819 (p0) REVERT: K 58 LYS cc_start: 0.6897 (ttmm) cc_final: 0.6689 (ttmm) REVERT: K 73 MET cc_start: 0.7960 (mmt) cc_final: 0.7415 (mmt) REVERT: K 108 GLU cc_start: 0.7920 (mm-30) cc_final: 0.7629 (mm-30) REVERT: K 123 GLU cc_start: 0.9127 (mm-30) cc_final: 0.8571 (mm-30) REVERT: K 147 MET cc_start: 0.6711 (tmm) cc_final: 0.6470 (tmm) REVERT: K 150 LEU cc_start: 0.8165 (tp) cc_final: 0.7717 (tp) REVERT: K 152 ILE cc_start: 0.8105 (mm) cc_final: 0.7880 (mm) REVERT: K 153 SER cc_start: 0.7778 (m) cc_final: 0.7403 (t) REVERT: K 154 LYS cc_start: 0.7892 (mmmt) cc_final: 0.7067 (mmmt) REVERT: K 155 ILE cc_start: 0.8381 (pt) cc_final: 0.8159 (mt) REVERT: K 161 ASP cc_start: 0.7918 (p0) cc_final: 0.7644 (p0) REVERT: K 164 MET cc_start: 0.6454 (mtp) cc_final: 0.5082 (mtp) REVERT: K 165 ASN cc_start: 0.7058 (t0) cc_final: 0.6151 (t0) REVERT: K 183 TYR cc_start: 0.7828 (m-10) cc_final: 0.7469 (m-10) REVERT: K 194 GLU cc_start: 0.8129 (mm-30) cc_final: 0.7894 (mm-30) REVERT: K 195 ASN cc_start: 0.7599 (m-40) cc_final: 0.6875 (m-40) REVERT: K 197 ASP cc_start: 0.6952 (m-30) cc_final: 0.6209 (m-30) REVERT: K 198 GLU cc_start: 0.7169 (pt0) cc_final: 0.6829 (pt0) REVERT: K 207 LEU cc_start: 0.8575 (mt) cc_final: 0.8259 (mt) REVERT: K 213 ARG cc_start: 0.8117 (mtm110) cc_final: 0.7748 (mtm110) REVERT: K 216 LYS cc_start: 0.8399 (pttp) cc_final: 0.8163 (pttp) REVERT: K 233 MET cc_start: 0.8583 (mtp) cc_final: 0.8317 (mtp) REVERT: K 247 ASN cc_start: 0.7378 (m110) cc_final: 0.7107 (m110) REVERT: K 251 ARG cc_start: 0.7594 (mtp85) cc_final: 0.7096 (mtp85) REVERT: K 258 VAL cc_start: 0.7751 (t) cc_final: 0.7404 (t) REVERT: K 260 PHE cc_start: 0.7738 (m-80) cc_final: 0.7456 (m-80) REVERT: K 263 LEU cc_start: 0.8412 (mt) cc_final: 0.8109 (tp) REVERT: K 266 PHE cc_start: 0.6980 (m-10) cc_final: 0.6502 (m-10) REVERT: K 267 MET cc_start: 0.6785 (mtp) cc_final: 0.6478 (mtp) REVERT: K 270 PHE cc_start: 0.7353 (t80) cc_final: 0.7117 (t80) REVERT: K 274 THR cc_start: 0.8264 (p) cc_final: 0.8026 (p) REVERT: K 317 PHE cc_start: 0.8467 (m-10) cc_final: 0.8124 (m-10) REVERT: K 327 ASP cc_start: 0.8509 (m-30) cc_final: 0.7784 (p0) REVERT: K 329 GLN cc_start: 0.8181 (mm-40) cc_final: 0.7786 (mm110) REVERT: K 331 LEU cc_start: 0.8353 (tp) cc_final: 0.8097 (tp) REVERT: K 345 ILE cc_start: 0.8891 (tp) cc_final: 0.8687 (tp) REVERT: K 350 LYS cc_start: 0.8049 (tptp) cc_final: 0.7177 (tptp) REVERT: K 362 LYS cc_start: 0.7916 (mmmt) cc_final: 0.7323 (mmmt) REVERT: K 363 MET cc_start: 0.7999 (mmm) cc_final: 0.7538 (mmm) REVERT: K 383 GLU cc_start: 0.8318 (mm-30) cc_final: 0.7742 (mm-30) REVERT: K 385 PHE cc_start: 0.8007 (t80) cc_final: 0.7672 (t80) REVERT: K 389 PHE cc_start: 0.8134 (t80) cc_final: 0.7921 (t80) REVERT: K 398 TYR cc_start: 0.7027 (m-80) cc_final: 0.6794 (m-80) REVERT: K 403 MET cc_start: 0.6030 (ttt) cc_final: 0.5671 (ttt) REVERT: K 408 PHE cc_start: 0.8497 (m-80) cc_final: 0.7511 (m-80) REVERT: K 415 MET cc_start: 0.7950 (tpt) cc_final: 0.7690 (tpt) REVERT: K 421 GLU cc_start: 0.7987 (tt0) cc_final: 0.6882 (tt0) REVERT: K 423 GLN cc_start: 0.8024 (pp30) cc_final: 0.7790 (pp30) REVERT: T 14 ARG cc_start: 0.5746 (tmt170) cc_final: 0.5185 (tmt170) REVERT: T 60 GLN cc_start: 0.6804 (mt0) cc_final: 0.6470 (mt0) REVERT: T 93 HIS cc_start: 0.5980 (m-70) cc_final: 0.5481 (m-70) REVERT: T 180 MET cc_start: 0.7550 (tmm) cc_final: 0.7215 (tmm) REVERT: T 228 TYR cc_start: 0.6045 (m-80) cc_final: 0.5135 (m-80) REVERT: T 256 LYS cc_start: 0.7542 (mmmt) cc_final: 0.6993 (mmmt) REVERT: T 282 MET cc_start: 0.6477 (tpt) cc_final: 0.6106 (tpt) REVERT: T 296 THR cc_start: 0.4159 (m) cc_final: 0.3565 (m) REVERT: T 302 CYS cc_start: 0.6307 (p) cc_final: 0.6089 (p) REVERT: T 313 LYS cc_start: 0.7675 (mtmt) cc_final: 0.7451 (tppt) REVERT: T 321 ARG cc_start: 0.7689 (mtm180) cc_final: 0.7081 (mtm180) REVERT: C 6 SER cc_start: 0.8510 (p) cc_final: 0.8182 (t) REVERT: C 23 LEU cc_start: 0.8588 (tp) cc_final: 0.8304 (tp) REVERT: C 31 GLN cc_start: 0.7937 (mt0) cc_final: 0.7467 (mt0) REVERT: C 83 GLU cc_start: 0.8054 (tm-30) cc_final: 0.7701 (tm-30) REVERT: C 84 ILE cc_start: 0.8727 (mt) cc_final: 0.8296 (mt) REVERT: C 134 GLN cc_start: 0.7529 (tm-30) cc_final: 0.7094 (tm-30) REVERT: C 160 MET cc_start: 0.7877 (tmm) cc_final: 0.7496 (tmm) REVERT: C 189 GLU cc_start: 0.7919 (pm20) cc_final: 0.7217 (pm20) REVERT: C 192 ASN cc_start: 0.8704 (m-40) cc_final: 0.8500 (m-40) REVERT: C 206 CYS cc_start: 0.7273 (p) cc_final: 0.6866 (p) REVERT: C 208 PHE cc_start: 0.7274 (m-10) cc_final: 0.6996 (m-10) REVERT: C 212 ASN cc_start: 0.8459 (m-40) cc_final: 0.8034 (m-40) REVERT: C 216 TYR cc_start: 0.8296 (m-80) cc_final: 0.7734 (m-80) REVERT: C 230 TYR cc_start: 0.7703 (m-10) cc_final: 0.7451 (m-10) REVERT: C 259 THR cc_start: 0.7907 (p) cc_final: 0.7504 (t) REVERT: C 265 LEU cc_start: 0.8204 (mm) cc_final: 0.7648 (mm) REVERT: C 277 THR cc_start: 0.7556 (t) cc_final: 0.6766 (p) REVERT: C 282 ILE cc_start: 0.7534 (tp) cc_final: 0.7322 (tp) REVERT: C 286 LYS cc_start: 0.8350 (mtpt) cc_final: 0.7519 (mtpp) REVERT: C 308 MET cc_start: 0.7294 (mpp) cc_final: 0.7032 (mpp) REVERT: C 312 ASP cc_start: 0.7311 (t0) cc_final: 0.6686 (t0) REVERT: C 315 HIS cc_start: 0.8191 (m90) cc_final: 0.7834 (m-70) REVERT: C 319 MET cc_start: 0.7855 (ttt) cc_final: 0.6914 (ttt) REVERT: C 342 LYS cc_start: 0.8602 (ttmm) cc_final: 0.8305 (ttmm) REVERT: C 345 ARG cc_start: 0.8101 (mmm160) cc_final: 0.7722 (mmm160) REVERT: C 349 PHE cc_start: 0.8114 (m-80) cc_final: 0.7577 (m-10) REVERT: C 379 ARG cc_start: 0.8166 (ptp90) cc_final: 0.7798 (mtm110) REVERT: C 386 ASN cc_start: 0.7512 (t0) cc_final: 0.5423 (t0) REVERT: C 400 LYS cc_start: 0.8024 (ptpt) cc_final: 0.7536 (ptpp) REVERT: C 403 LEU cc_start: 0.8393 (mt) cc_final: 0.8193 (mt) REVERT: C 404 MET cc_start: 0.8069 (mtm) cc_final: 0.7248 (mmm) REVERT: C 408 ARG cc_start: 0.7213 (mmt180) cc_final: 0.6568 (mmt180) REVERT: C 410 PHE cc_start: 0.7709 (m-80) cc_final: 0.7139 (m-80) REVERT: C 414 TYR cc_start: 0.8371 (m-80) cc_final: 0.7992 (m-80) REVERT: C 421 GLU cc_start: 0.6284 (tp30) cc_final: 0.5976 (tp30) REVERT: C 426 GLU cc_start: 0.8186 (mm-30) cc_final: 0.7878 (mm-30) REVERT: C 431 MET cc_start: 0.8291 (mmm) cc_final: 0.7960 (mmm) REVERT: C 440 GLU cc_start: 0.7109 (mt-10) cc_final: 0.6673 (mt-10) REVERT: L 11 GLN cc_start: 0.7221 (mt0) cc_final: 0.6949 (mt0) REVERT: L 20 PHE cc_start: 0.8717 (t80) cc_final: 0.8186 (t80) REVERT: L 21 TRP cc_start: 0.8516 (m100) cc_final: 0.7976 (m100) REVERT: L 22 GLU cc_start: 0.8332 (mt-10) cc_final: 0.7890 (tm-30) REVERT: L 67 ASP cc_start: 0.7487 (t70) cc_final: 0.7243 (t70) REVERT: L 73 MET cc_start: 0.8022 (mmt) cc_final: 0.7424 (mmt) REVERT: L 92 PHE cc_start: 0.8505 (p90) cc_final: 0.8155 (p90) REVERT: L 123 GLU cc_start: 0.8865 (mm-30) cc_final: 0.8643 (mm-30) REVERT: L 147 MET cc_start: 0.6716 (tmm) cc_final: 0.6437 (tmm) REVERT: L 151 LEU cc_start: 0.8701 (pp) cc_final: 0.8458 (pp) REVERT: L 154 LYS cc_start: 0.8468 (mmtt) cc_final: 0.7994 (mmtt) REVERT: L 165 ASN cc_start: 0.7253 (t0) cc_final: 0.6471 (t0) REVERT: L 181 GLU cc_start: 0.7932 (mt-10) cc_final: 0.7271 (mt-10) REVERT: L 187 LEU cc_start: 0.8265 (mt) cc_final: 0.7778 (mt) REVERT: L 191 GLN cc_start: 0.7891 (mp-120) cc_final: 0.7191 (mp-120) REVERT: L 200 TYR cc_start: 0.7420 (m-80) cc_final: 0.7034 (m-10) REVERT: L 213 ARG cc_start: 0.8337 (mtm-85) cc_final: 0.7853 (mtm180) REVERT: L 216 LYS cc_start: 0.8628 (ptpt) cc_final: 0.8347 (ptpt) REVERT: L 227 HIS cc_start: 0.7546 (m90) cc_final: 0.7106 (m90) REVERT: L 233 MET cc_start: 0.8726 (mtp) cc_final: 0.8395 (mtp) REVERT: L 241 ARG cc_start: 0.7503 (mtm110) cc_final: 0.7011 (ttp-110) REVERT: L 270 PHE cc_start: 0.7342 (t80) cc_final: 0.6633 (t80) REVERT: L 273 LEU cc_start: 0.8080 (mt) cc_final: 0.7851 (mt) REVERT: L 289 LEU cc_start: 0.8847 (mt) cc_final: 0.8057 (mt) REVERT: L 292 GLN cc_start: 0.8224 (tt0) cc_final: 0.7783 (tt0) REVERT: L 293 MET cc_start: 0.7330 (mmm) cc_final: 0.6730 (mmm) REVERT: L 323 MET cc_start: 0.7599 (mmp) cc_final: 0.7323 (mmp) REVERT: L 324 LYS cc_start: 0.8046 (ttpt) cc_final: 0.7233 (ttpt) REVERT: L 327 ASP cc_start: 0.8528 (m-30) cc_final: 0.8012 (p0) REVERT: L 330 MET cc_start: 0.8275 (mmp) cc_final: 0.7717 (mmp) REVERT: L 341 PHE cc_start: 0.7485 (m-80) cc_final: 0.7080 (m-80) REVERT: L 347 ASN cc_start: 0.7427 (t0) cc_final: 0.6664 (t0) REVERT: L 350 LYS cc_start: 0.8219 (tptp) cc_final: 0.7506 (tptp) REVERT: L 353 VAL cc_start: 0.8165 (m) cc_final: 0.7919 (p) REVERT: L 362 LYS cc_start: 0.7677 (mmmt) cc_final: 0.7312 (mmmt) REVERT: L 363 MET cc_start: 0.8106 (tpt) cc_final: 0.7786 (mmm) REVERT: L 389 PHE cc_start: 0.8654 (t80) cc_final: 0.8402 (t80) REVERT: L 390 ARG cc_start: 0.7894 (ptm-80) cc_final: 0.7031 (ptm-80) REVERT: L 408 PHE cc_start: 0.8005 (m-80) cc_final: 0.7418 (m-80) REVERT: L 414 ASN cc_start: 0.8261 (m110) cc_final: 0.7836 (m110) REVERT: L 415 MET cc_start: 0.8141 (tpt) cc_final: 0.7816 (tpt) REVERT: L 421 GLU cc_start: 0.8004 (tt0) cc_final: 0.7155 (tt0) REVERT: L 422 TYR cc_start: 0.7726 (m-80) cc_final: 0.7219 (m-80) REVERT: L 424 GLN cc_start: 0.8378 (pp30) cc_final: 0.7956 (pp30) REVERT: U 22 GLU cc_start: 0.6456 (mt-10) cc_final: 0.5938 (mt-10) REVERT: U 95 MET cc_start: 0.8135 (mmm) cc_final: 0.7313 (mmm) REVERT: U 96 GLU cc_start: 0.7348 (tt0) cc_final: 0.6863 (tt0) REVERT: U 103 GLU cc_start: 0.8152 (tp30) cc_final: 0.7881 (tp30) REVERT: U 180 MET cc_start: 0.7536 (tmm) cc_final: 0.7255 (tmm) REVERT: U 237 LYS cc_start: 0.6898 (mttt) cc_final: 0.6511 (mttt) REVERT: U 256 LYS cc_start: 0.7737 (mmmt) cc_final: 0.7183 (mmmt) REVERT: U 307 TYR cc_start: 0.7922 (t80) cc_final: 0.7065 (t80) REVERT: U 313 LYS cc_start: 0.7485 (ttmt) cc_final: 0.7094 (tppt) REVERT: U 321 ARG cc_start: 0.7328 (mtm180) cc_final: 0.6852 (mtm180) REVERT: D 11 GLN cc_start: 0.7033 (tp-100) cc_final: 0.5891 (tm-30) REVERT: D 15 GLN cc_start: 0.8421 (mm-40) cc_final: 0.7657 (mm110) REVERT: D 16 MET cc_start: 0.8419 (mtm) cc_final: 0.7354 (mtm) REVERT: D 31 GLN cc_start: 0.7600 (mt0) cc_final: 0.7050 (mt0) REVERT: D 72 VAL cc_start: 0.7715 (m) cc_final: 0.7247 (p) REVERT: D 83 GLU cc_start: 0.8353 (tm-30) cc_final: 0.8148 (tm-30) REVERT: D 119 GLU cc_start: 0.8179 (pp20) cc_final: 0.7813 (pp20) REVERT: D 125 LEU cc_start: 0.8385 (mm) cc_final: 0.8153 (mm) REVERT: D 160 MET cc_start: 0.7613 (tmm) cc_final: 0.7015 (tmm) REVERT: D 171 SER cc_start: 0.8041 (m) cc_final: 0.7768 (p) REVERT: D 182 GLN cc_start: 0.8051 (pp30) cc_final: 0.7561 (pp30) REVERT: D 203 HIS cc_start: 0.8134 (m90) cc_final: 0.7053 (m90) REVERT: D 220 ARG cc_start: 0.7176 (ttt-90) cc_final: 0.6696 (mmm-85) REVERT: D 222 ASN cc_start: 0.8656 (m-40) cc_final: 0.8144 (m-40) REVERT: D 232 ASN cc_start: 0.8403 (m-40) cc_final: 0.8091 (m-40) REVERT: D 265 LEU cc_start: 0.8244 (mm) cc_final: 0.8041 (mm) REVERT: D 286 LYS cc_start: 0.8380 (ttmt) cc_final: 0.8105 (ttmm) REVERT: D 289 HIS cc_start: 0.7105 (m90) cc_final: 0.6606 (m90) REVERT: D 290 GLU cc_start: 0.7086 (tm-30) cc_final: 0.6386 (tm-30) REVERT: D 308 MET cc_start: 0.7189 (mmt) cc_final: 0.6496 (mmt) REVERT: D 310 LYS cc_start: 0.8433 (mmmt) cc_final: 0.7824 (mmmt) REVERT: D 311 CYS cc_start: 0.8155 (m) cc_final: 0.7761 (m) REVERT: D 312 ASP cc_start: 0.7765 (t0) cc_final: 0.7077 (t0) REVERT: D 315 HIS cc_start: 0.7779 (m90) cc_final: 0.7104 (m170) REVERT: D 325 TYR cc_start: 0.8087 (m-80) cc_final: 0.7701 (m-80) REVERT: D 379 ARG cc_start: 0.8334 (ptp90) cc_final: 0.8131 (ptp-170) REVERT: D 381 VAL cc_start: 0.7833 (p) cc_final: 0.7518 (p) REVERT: D 386 ASN cc_start: 0.7400 (t0) cc_final: 0.7184 (t0) REVERT: D 392 GLU cc_start: 0.7298 (pt0) cc_final: 0.7024 (pt0) REVERT: D 400 LYS cc_start: 0.8682 (ptpt) cc_final: 0.8401 (ptpp) REVERT: D 401 PHE cc_start: 0.8403 (t80) cc_final: 0.8154 (t80) REVERT: D 404 MET cc_start: 0.8491 (mtm) cc_final: 0.7902 (mmt) REVERT: D 407 LYS cc_start: 0.8590 (mmmt) cc_final: 0.8141 (tppp) REVERT: D 410 PHE cc_start: 0.7934 (m-80) cc_final: 0.7563 (m-80) REVERT: D 412 HIS cc_start: 0.7410 (p-80) cc_final: 0.7170 (p90) REVERT: D 421 GLU cc_start: 0.7264 (tp30) cc_final: 0.6717 (tp30) REVERT: D 440 GLU cc_start: 0.7721 (mt-10) cc_final: 0.7116 (mt-10) REVERT: D 441 VAL cc_start: 0.8675 (p) cc_final: 0.8421 (p) REVERT: D 443 ILE cc_start: 0.6973 (mt) cc_final: 0.6565 (mt) REVERT: M 11 GLN cc_start: 0.6960 (tt0) cc_final: 0.6536 (tp40) REVERT: M 20 PHE cc_start: 0.8886 (t80) cc_final: 0.8411 (t80) REVERT: M 26 ASP cc_start: 0.8144 (m-30) cc_final: 0.7754 (m-30) REVERT: M 31 ASP cc_start: 0.7707 (t0) cc_final: 0.7384 (t0) REVERT: M 69 GLU cc_start: 0.6231 (tm-30) cc_final: 0.5570 (tm-30) REVERT: M 73 MET cc_start: 0.8274 (mmt) cc_final: 0.7460 (mmt) REVERT: M 99 ASN cc_start: 0.7387 (m-40) cc_final: 0.7044 (m110) REVERT: M 108 GLU cc_start: 0.7212 (tp30) cc_final: 0.6538 (tp30) REVERT: M 120 VAL cc_start: 0.8873 (m) cc_final: 0.8647 (t) REVERT: M 121 ARG cc_start: 0.8042 (mtt90) cc_final: 0.7746 (ttm-80) REVERT: M 122 LYS cc_start: 0.8482 (ttpp) cc_final: 0.8169 (ttpp) REVERT: M 125 GLU cc_start: 0.7719 (mm-30) cc_final: 0.7478 (mm-30) REVERT: M 131 GLN cc_start: 0.5684 (tp40) cc_final: 0.5466 (tp40) REVERT: M 134 GLN cc_start: 0.6309 (mm110) cc_final: 0.5989 (mm110) REVERT: M 136 THR cc_start: 0.7123 (m) cc_final: 0.6714 (t) REVERT: M 151 LEU cc_start: 0.8434 (pp) cc_final: 0.7906 (tt) REVERT: M 154 LYS cc_start: 0.8184 (mmmt) cc_final: 0.7734 (mmmt) REVERT: M 158 GLU cc_start: 0.8033 (tt0) cc_final: 0.7770 (tt0) REVERT: M 163 ILE cc_start: 0.7664 (mm) cc_final: 0.7412 (mm) REVERT: M 164 MET cc_start: 0.7179 (mtp) cc_final: 0.6148 (mtp) REVERT: M 184 ASN cc_start: 0.8408 (m-40) cc_final: 0.7755 (t0) REVERT: M 195 ASN cc_start: 0.8385 (m-40) cc_final: 0.7162 (m-40) REVERT: M 198 GLU cc_start: 0.6581 (pt0) cc_final: 0.5657 (pt0) REVERT: M 208 TYR cc_start: 0.6957 (m-80) cc_final: 0.6558 (m-80) REVERT: M 209 ASP cc_start: 0.7262 (t70) cc_final: 0.6728 (t70) REVERT: M 216 LYS cc_start: 0.8673 (ptpp) cc_final: 0.8364 (ptpp) REVERT: M 233 MET cc_start: 0.7944 (mtp) cc_final: 0.7683 (mtp) REVERT: M 257 MET cc_start: 0.7831 (mmm) cc_final: 0.7192 (mmm) REVERT: M 260 PHE cc_start: 0.8227 (m-10) cc_final: 0.7883 (m-10) REVERT: M 264 HIS cc_start: 0.8050 (p-80) cc_final: 0.7721 (p-80) REVERT: M 267 MET cc_start: 0.7553 (mtp) cc_final: 0.7170 (mtp) REVERT: M 270 PHE cc_start: 0.8034 (t80) cc_final: 0.7686 (t80) REVERT: M 274 THR cc_start: 0.8020 (p) cc_final: 0.7704 (p) REVERT: M 276 ARG cc_start: 0.7891 (tmt170) cc_final: 0.7403 (tmt170) REVERT: M 290 THR cc_start: 0.8798 (m) cc_final: 0.8111 (p) REVERT: M 292 GLN cc_start: 0.8501 (tt0) cc_final: 0.7971 (tt0) REVERT: M 294 PHE cc_start: 0.7230 (m-10) cc_final: 0.6871 (m-10) REVERT: M 298 ASN cc_start: 0.8736 (t0) cc_final: 0.8319 (t0) REVERT: M 299 MET cc_start: 0.6942 (mtt) cc_final: 0.6554 (mtt) REVERT: M 300 MET cc_start: 0.7588 (mtm) cc_final: 0.6765 (mtm) REVERT: M 323 MET cc_start: 0.7720 (mmp) cc_final: 0.7135 (mmp) REVERT: M 324 LYS cc_start: 0.7914 (ttpt) cc_final: 0.7214 (ttpt) REVERT: M 325 GLU cc_start: 0.8269 (pt0) cc_final: 0.7401 (pt0) REVERT: M 327 ASP cc_start: 0.8575 (m-30) cc_final: 0.8182 (m-30) REVERT: M 345 ILE cc_start: 0.8568 (tp) cc_final: 0.7759 (tp) REVERT: M 348 ASN cc_start: 0.8178 (m110) cc_final: 0.7968 (m110) REVERT: M 359 ARG cc_start: 0.7203 (ttm-80) cc_final: 0.6699 (ttm-80) REVERT: M 362 LYS cc_start: 0.8082 (mmmt) cc_final: 0.7559 (mmmt) REVERT: M 367 PHE cc_start: 0.8036 (t80) cc_final: 0.7608 (t80) REVERT: M 374 ILE cc_start: 0.8207 (tp) cc_final: 0.7980 (tp) REVERT: M 392 LYS cc_start: 0.8218 (mtmm) cc_final: 0.7758 (mtmm) REVERT: M 395 LEU cc_start: 0.8775 (mt) cc_final: 0.8332 (mt) REVERT: M 397 TRP cc_start: 0.7365 (m100) cc_final: 0.6947 (m100) REVERT: M 408 PHE cc_start: 0.8689 (m-10) cc_final: 0.8356 (m-10) REVERT: M 413 SER cc_start: 0.6784 (p) cc_final: 0.6409 (p) REVERT: M 415 MET cc_start: 0.7677 (tpt) cc_final: 0.7115 (tpt) REVERT: M 417 ASP cc_start: 0.7610 (m-30) cc_final: 0.7121 (m-30) REVERT: M 424 GLN cc_start: 0.8232 (tm-30) cc_final: 0.7783 (pt0) REVERT: M 425 TYR cc_start: 0.8181 (m-80) cc_final: 0.7899 (m-80) REVERT: V 12 MET cc_start: 0.6534 (mpp) cc_final: 0.6186 (mpp) REVERT: V 19 ASN cc_start: 0.5107 (p0) cc_final: 0.4413 (p0) REVERT: V 28 LYS cc_start: 0.7136 (mmmm) cc_final: 0.6658 (mmmm) REVERT: V 59 GLU cc_start: 0.7416 (mp0) cc_final: 0.6959 (mp0) REVERT: V 103 GLU cc_start: 0.7446 (tp30) cc_final: 0.6888 (tp30) REVERT: V 129 HIS cc_start: 0.5077 (m-70) cc_final: 0.4833 (m-70) REVERT: V 180 MET cc_start: 0.7637 (mpp) cc_final: 0.7365 (mmt) REVERT: V 220 GLU cc_start: 0.6066 (mm-30) cc_final: 0.5645 (mm-30) REVERT: V 252 LYS cc_start: 0.7658 (mttt) cc_final: 0.7373 (mttt) REVERT: V 256 LYS cc_start: 0.7252 (tptm) cc_final: 0.6759 (tptm) REVERT: V 278 ARG cc_start: 0.7112 (mtt180) cc_final: 0.6840 (mtt180) REVERT: V 282 MET cc_start: 0.7026 (tpt) cc_final: 0.6699 (tpt) REVERT: V 284 ARG cc_start: 0.8396 (mtp85) cc_final: 0.7757 (mtp85) REVERT: V 311 GLU cc_start: 0.8064 (pm20) cc_final: 0.7840 (pm20) REVERT: E 6 SER cc_start: 0.8214 (t) cc_final: 0.7840 (t) REVERT: E 11 GLN cc_start: 0.7487 (tt0) cc_final: 0.6447 (tm-30) REVERT: E 16 MET cc_start: 0.8263 (mtm) cc_final: 0.7193 (mtm) REVERT: E 23 LEU cc_start: 0.8386 (tp) cc_final: 0.6934 (tp) REVERT: E 27 GLU cc_start: 0.8096 (mt-10) cc_final: 0.7295 (mt-10) REVERT: E 35 GLN cc_start: 0.6417 (tp40) cc_final: 0.5512 (tp40) REVERT: E 67 HIS cc_start: 0.6982 (m90) cc_final: 0.6034 (m90) REVERT: E 104 ASP cc_start: 0.4937 (t0) cc_final: 0.4670 (t0) REVERT: E 125 LEU cc_start: 0.8221 (mm) cc_final: 0.7941 (mm) REVERT: E 134 GLN cc_start: 0.8728 (pp30) cc_final: 0.8373 (pp30) REVERT: E 138 LEU cc_start: 0.7962 (tp) cc_final: 0.7311 (tp) REVERT: E 160 MET cc_start: 0.7707 (tmm) cc_final: 0.7308 (tmm) REVERT: E 161 GLU cc_start: 0.8002 (tt0) cc_final: 0.7503 (tt0) REVERT: E 169 LYS cc_start: 0.8720 (pptt) cc_final: 0.8388 (pptt) REVERT: E 189 GLU cc_start: 0.8328 (mt-10) cc_final: 0.7717 (mt-10) REVERT: E 193 SER cc_start: 0.8512 (p) cc_final: 0.8308 (p) REVERT: E 194 ILE cc_start: 0.8474 (tt) cc_final: 0.8273 (tt) REVERT: E 232 ASN cc_start: 0.8797 (m110) cc_final: 0.7489 (m-40) REVERT: E 235 ARG cc_start: 0.8590 (mtt-85) cc_final: 0.7829 (mtt-85) REVERT: E 258 LEU cc_start: 0.8332 (mt) cc_final: 0.7967 (mt) REVERT: E 261 PHE cc_start: 0.8468 (m-80) cc_final: 0.7924 (m-80) REVERT: E 272 HIS cc_start: 0.6889 (p90) cc_final: 0.6168 (p90) REVERT: E 286 LYS cc_start: 0.8157 (ttmm) cc_final: 0.7850 (ttmm) REVERT: E 312 ASP cc_start: 0.7793 (t0) cc_final: 0.6937 (t70) REVERT: E 315 HIS cc_start: 0.7075 (m90) cc_final: 0.6330 (m90) REVERT: E 319 MET cc_start: 0.6329 (mmm) cc_final: 0.5863 (mmm) REVERT: E 324 LEU cc_start: 0.8306 (mp) cc_final: 0.8038 (mp) REVERT: E 334 VAL cc_start: 0.8181 (p) cc_final: 0.7915 (t) REVERT: E 379 ARG cc_start: 0.8402 (ptp-170) cc_final: 0.7532 (mtm110) REVERT: E 401 PHE cc_start: 0.8446 (t80) cc_final: 0.7679 (t80) REVERT: E 402 ASP cc_start: 0.8057 (m-30) cc_final: 0.7556 (m-30) REVERT: E 405 TYR cc_start: 0.8168 (t80) cc_final: 0.7492 (t80) REVERT: E 408 ARG cc_start: 0.7686 (mmt-90) cc_final: 0.7272 (mpt180) REVERT: E 420 GLU cc_start: 0.7887 (tm-30) cc_final: 0.7458 (pm20) REVERT: E 426 GLU cc_start: 0.7993 (mm-30) cc_final: 0.7554 (mm-30) REVERT: E 431 MET cc_start: 0.8205 (mmp) cc_final: 0.7848 (mmp) REVERT: E 434 LEU cc_start: 0.9044 (mm) cc_final: 0.8576 (pp) REVERT: E 438 TYR cc_start: 0.7034 (m-80) cc_final: 0.6619 (m-80) REVERT: N 3 GLU cc_start: 0.7385 (mp0) cc_final: 0.6542 (mp0) REVERT: N 23 VAL cc_start: 0.8522 (p) cc_final: 0.8133 (p) REVERT: N 24 ILE cc_start: 0.8614 (pt) cc_final: 0.7945 (pt) REVERT: N 27 GLU cc_start: 0.8041 (mt-10) cc_final: 0.7734 (mt-10) REVERT: N 45 GLU cc_start: 0.7062 (tm-30) cc_final: 0.6796 (tm-30) REVERT: N 46 ARG cc_start: 0.7730 (mmt180) cc_final: 0.6926 (tpp80) REVERT: N 48 ASN cc_start: 0.7894 (p0) cc_final: 0.7652 (p0) REVERT: N 62 ARG cc_start: 0.7116 (ttm110) cc_final: 0.6445 (ttm110) REVERT: N 67 ASP cc_start: 0.7224 (t70) cc_final: 0.6934 (t70) REVERT: N 73 MET cc_start: 0.8476 (mmt) cc_final: 0.7954 (mmt) REVERT: N 74 ASP cc_start: 0.7951 (m-30) cc_final: 0.7617 (m-30) REVERT: N 77 ARG cc_start: 0.8005 (ttm110) cc_final: 0.7330 (ttm110) REVERT: N 88 ASP cc_start: 0.7837 (t0) cc_final: 0.7511 (t0) REVERT: N 94 GLN cc_start: 0.7692 (mt0) cc_final: 0.7436 (mt0) REVERT: N 106 TYR cc_start: 0.8465 (m-80) cc_final: 0.7712 (m-10) REVERT: N 111 GLU cc_start: 0.7875 (pp20) cc_final: 0.7664 (pp20) REVERT: N 121 ARG cc_start: 0.8739 (mtt90) cc_final: 0.8469 (ptp-110) REVERT: N 122 LYS cc_start: 0.8313 (ttpp) cc_final: 0.7775 (ttpp) REVERT: N 129 CYS cc_start: 0.8025 (m) cc_final: 0.7256 (p) REVERT: N 143 THR cc_start: 0.8530 (t) cc_final: 0.7745 (t) REVERT: N 154 LYS cc_start: 0.8223 (mmpt) cc_final: 0.7880 (mmpt) REVERT: N 170 MET cc_start: 0.8187 (mpp) cc_final: 0.7931 (mpp) REVERT: N 197 ASP cc_start: 0.6835 (m-30) cc_final: 0.6370 (m-30) REVERT: N 198 GLU cc_start: 0.6543 (pm20) cc_final: 0.6073 (pm20) REVERT: N 210 ILE cc_start: 0.8590 (tp) cc_final: 0.8348 (tp) REVERT: N 215 LEU cc_start: 0.8112 (tp) cc_final: 0.7496 (tp) REVERT: N 217 LEU cc_start: 0.8648 (mt) cc_final: 0.7980 (mt) REVERT: N 232 THR cc_start: 0.8884 (p) cc_final: 0.8518 (m) REVERT: N 257 MET cc_start: 0.7210 (mtt) cc_final: 0.6860 (mtt) REVERT: N 262 ARG cc_start: 0.7867 (mtp85) cc_final: 0.7280 (mtt180) REVERT: N 276 ARG cc_start: 0.7713 (tmt170) cc_final: 0.7342 (tmt170) REVERT: N 290 THR cc_start: 0.8147 (m) cc_final: 0.7446 (m) REVERT: N 292 GLN cc_start: 0.8433 (tt0) cc_final: 0.7879 (tt0) REVERT: N 293 MET cc_start: 0.7313 (mtt) cc_final: 0.7078 (mtt) REVERT: N 307 HIS cc_start: 0.7344 (m170) cc_final: 0.7047 (m170) REVERT: N 321 MET cc_start: 0.8348 (ptp) cc_final: 0.7901 (ptp) REVERT: N 324 LYS cc_start: 0.8300 (ttpt) cc_final: 0.7832 (ttpt) REVERT: N 327 ASP cc_start: 0.8733 (m-30) cc_final: 0.8207 (m-30) REVERT: N 328 GLU cc_start: 0.7101 (pp20) cc_final: 0.6841 (pp20) REVERT: N 330 MET cc_start: 0.8131 (mmp) cc_final: 0.7888 (mmp) REVERT: N 347 ASN cc_start: 0.7789 (t0) cc_final: 0.7548 (t0) REVERT: N 350 LYS cc_start: 0.7812 (tmtt) cc_final: 0.7450 (tmtt) REVERT: N 363 MET cc_start: 0.7431 (mmm) cc_final: 0.7194 (mmm) REVERT: N 367 PHE cc_start: 0.7825 (t80) cc_final: 0.7421 (t80) REVERT: N 391 ARG cc_start: 0.7167 (ttt180) cc_final: 0.6558 (ttt180) REVERT: N 392 LYS cc_start: 0.7572 (mtmm) cc_final: 0.7027 (mmtm) REVERT: N 395 LEU cc_start: 0.7804 (mt) cc_final: 0.7399 (mt) REVERT: N 397 TRP cc_start: 0.7287 (m100) cc_final: 0.6142 (m100) REVERT: N 406 MET cc_start: 0.8570 (mmp) cc_final: 0.8232 (mmp) REVERT: N 407 GLU cc_start: 0.8425 (mt-10) cc_final: 0.7833 (mt-10) REVERT: N 410 GLU cc_start: 0.7007 (mt-10) cc_final: 0.6775 (mt-10) REVERT: N 414 ASN cc_start: 0.8302 (m-40) cc_final: 0.8066 (m-40) REVERT: N 415 MET cc_start: 0.8397 (tpt) cc_final: 0.7670 (tpp) REVERT: N 417 ASP cc_start: 0.7640 (m-30) cc_final: 0.7245 (m-30) REVERT: W 10 LYS cc_start: 0.7139 (mttt) cc_final: 0.6848 (mttt) REVERT: W 28 LYS cc_start: 0.7718 (tmtt) cc_final: 0.7489 (tttm) REVERT: W 32 LYS cc_start: 0.8567 (mmmt) cc_final: 0.8246 (mmmt) REVERT: W 36 GLU cc_start: 0.7718 (mt-10) cc_final: 0.7196 (mt-10) REVERT: W 46 TYR cc_start: 0.6954 (m-10) cc_final: 0.6282 (m-10) REVERT: W 64 ASP cc_start: 0.7585 (p0) cc_final: 0.7304 (p0) REVERT: W 95 MET cc_start: 0.7280 (mtt) cc_final: 0.6754 (mtt) REVERT: W 103 GLU cc_start: 0.7969 (tp30) cc_final: 0.7323 (tp30) REVERT: W 110 ARG cc_start: 0.4353 (mtt180) cc_final: 0.4151 (mtt180) REVERT: W 171 ARG cc_start: 0.6980 (mtt180) cc_final: 0.6424 (mtt180) REVERT: W 255 ASN cc_start: 0.8053 (m110) cc_final: 0.7622 (m110) REVERT: W 268 LEU cc_start: 0.8058 (mt) cc_final: 0.7822 (mt) REVERT: F 11 GLN cc_start: 0.7743 (tp40) cc_final: 0.7484 (tm-30) REVERT: F 20 CYS cc_start: 0.8405 (p) cc_final: 0.7859 (p) REVERT: F 23 LEU cc_start: 0.8697 (tp) cc_final: 0.8332 (tt) REVERT: F 24 TYR cc_start: 0.7733 (m-80) cc_final: 0.7352 (m-80) REVERT: F 31 GLN cc_start: 0.7452 (mt0) cc_final: 0.6852 (mp10) REVERT: F 77 GLU cc_start: 0.6083 (pp20) cc_final: 0.5759 (pp20) REVERT: F 79 THR cc_start: 0.7882 (p) cc_final: 0.7381 (p) REVERT: F 96 GLU cc_start: 0.7445 (tt0) cc_final: 0.7021 (tt0) REVERT: F 97 GLN cc_start: 0.7346 (mm110) cc_final: 0.7117 (mm-40) REVERT: F 119 GLU cc_start: 0.8231 (pp20) cc_final: 0.7986 (pp20) REVERT: F 120 ILE cc_start: 0.8291 (tp) cc_final: 0.8030 (tp) REVERT: F 160 MET cc_start: 0.7736 (tmm) cc_final: 0.6430 (tmm) REVERT: F 169 LYS cc_start: 0.8896 (mtmm) cc_final: 0.8658 (mtmm) REVERT: F 172 LYS cc_start: 0.8417 (ptpp) cc_final: 0.7772 (ptmt) REVERT: F 178 TYR cc_start: 0.5126 (m-10) cc_final: 0.4408 (m-10) REVERT: F 206 CYS cc_start: 0.7761 (p) cc_final: 0.6845 (p) REVERT: F 209 MET cc_start: 0.6405 (mmp) cc_final: 0.5880 (mmp) REVERT: F 216 TYR cc_start: 0.7935 (m-80) cc_final: 0.7607 (m-80) REVERT: F 221 ARG cc_start: 0.7941 (ttp-110) cc_final: 0.7603 (ttm110) REVERT: F 230 TYR cc_start: 0.7496 (m-80) cc_final: 0.6762 (m-80) REVERT: F 231 THR cc_start: 0.7816 (t) cc_final: 0.7453 (m) REVERT: F 240 ILE cc_start: 0.8013 (mt) cc_final: 0.7784 (mt) REVERT: F 277 THR cc_start: 0.7399 (t) cc_final: 0.5638 (m) REVERT: F 285 GLU cc_start: 0.8460 (pm20) cc_final: 0.8131 (pm20) REVERT: F 286 LYS cc_start: 0.8317 (mttm) cc_final: 0.8021 (mtpp) REVERT: F 299 ASN cc_start: 0.8113 (m110) cc_final: 0.7829 (m110) REVERT: F 303 GLU cc_start: 0.8553 (tm-30) cc_final: 0.8231 (tm-30) REVERT: F 308 MET cc_start: 0.7200 (mpp) cc_final: 0.6468 (mpp) REVERT: F 312 ASP cc_start: 0.7522 (p0) cc_final: 0.7241 (p0) REVERT: F 321 CYS cc_start: 0.8462 (t) cc_final: 0.7663 (t) REVERT: F 322 CYS cc_start: 0.7147 (t) cc_final: 0.6864 (t) REVERT: F 342 LYS cc_start: 0.8397 (mttt) cc_final: 0.7808 (mttt) REVERT: F 355 THR cc_start: 0.7573 (p) cc_final: 0.7112 (p) REVERT: F 383 MET cc_start: 0.7475 (ttm) cc_final: 0.6820 (tmm) REVERT: F 407 LYS cc_start: 0.5652 (tptp) cc_final: 0.5324 (tptp) REVERT: F 410 PHE cc_start: 0.7965 (m-80) cc_final: 0.7694 (m-10) REVERT: F 412 HIS cc_start: 0.8131 (p90) cc_final: 0.7009 (p-80) REVERT: F 423 GLU cc_start: 0.8585 (pp20) cc_final: 0.8072 (pp20) REVERT: O 50 TYR cc_start: 0.7323 (m-80) cc_final: 0.7098 (m-80) REVERT: O 62 ARG cc_start: 0.6009 (mtm-85) cc_final: 0.5441 (mtm-85) REVERT: O 68 LEU cc_start: 0.7940 (tp) cc_final: 0.7655 (tp) REVERT: O 73 MET cc_start: 0.8008 (mmt) cc_final: 0.7377 (mmt) REVERT: O 74 ASP cc_start: 0.7943 (m-30) cc_final: 0.7687 (m-30) REVERT: O 78 SER cc_start: 0.8292 (m) cc_final: 0.7847 (p) REVERT: O 83 GLN cc_start: 0.7797 (mm-40) cc_final: 0.7529 (mm110) REVERT: O 92 PHE cc_start: 0.7942 (p90) cc_final: 0.7418 (p90) REVERT: O 108 GLU cc_start: 0.8116 (mm-30) cc_final: 0.7867 (mm-30) REVERT: O 123 GLU cc_start: 0.9153 (mm-30) cc_final: 0.8687 (mm-30) REVERT: O 151 LEU cc_start: 0.8632 (pp) cc_final: 0.8361 (pp) REVERT: O 164 MET cc_start: 0.7573 (mtp) cc_final: 0.6218 (mtp) REVERT: O 166 THR cc_start: 0.7707 (p) cc_final: 0.7346 (p) REVERT: O 181 GLU cc_start: 0.7714 (mt-10) cc_final: 0.7077 (mt-10) REVERT: O 195 ASN cc_start: 0.7474 (m-40) cc_final: 0.6620 (m-40) REVERT: O 198 GLU cc_start: 0.7376 (pt0) cc_final: 0.6790 (pt0) REVERT: O 200 TYR cc_start: 0.7343 (m-80) cc_final: 0.7117 (m-80) REVERT: O 247 ASN cc_start: 0.6723 (m110) cc_final: 0.6373 (m110) REVERT: O 256 ASN cc_start: 0.7959 (m-40) cc_final: 0.7671 (m-40) REVERT: O 257 MET cc_start: 0.6924 (mmp) cc_final: 0.6310 (mmt) REVERT: O 262 ARG cc_start: 0.8190 (mmm160) cc_final: 0.7064 (tpp80) REVERT: O 263 LEU cc_start: 0.8344 (mt) cc_final: 0.7031 (mt) REVERT: O 264 HIS cc_start: 0.7553 (p-80) cc_final: 0.7215 (p-80) REVERT: O 267 MET cc_start: 0.6265 (ttm) cc_final: 0.5488 (ttm) REVERT: O 280 GLN cc_start: 0.8427 (mp10) cc_final: 0.8214 (mp10) REVERT: O 289 LEU cc_start: 0.8986 (mt) cc_final: 0.8691 (mt) REVERT: O 293 MET cc_start: 0.7350 (mtp) cc_final: 0.6746 (mtp) REVERT: O 311 LEU cc_start: 0.6952 (mt) cc_final: 0.6470 (mt) REVERT: O 320 ARG cc_start: 0.6877 (tpt90) cc_final: 0.6330 (tpt90) REVERT: O 323 MET cc_start: 0.8063 (mmp) cc_final: 0.6351 (mmp) REVERT: O 327 ASP cc_start: 0.8532 (m-30) cc_final: 0.8180 (m-30) REVERT: O 329 GLN cc_start: 0.8103 (mm-40) cc_final: 0.7674 (mm-40) REVERT: O 362 LYS cc_start: 0.8281 (mmmt) cc_final: 0.7531 (mmmt) REVERT: O 367 PHE cc_start: 0.7844 (t80) cc_final: 0.7437 (t80) REVERT: O 375 GLN cc_start: 0.7630 (pp30) cc_final: 0.7231 (pp30) REVERT: O 392 LYS cc_start: 0.8523 (mtmm) cc_final: 0.8139 (mtmm) REVERT: O 398 TYR cc_start: 0.6791 (m-80) cc_final: 0.6160 (m-80) REVERT: O 414 ASN cc_start: 0.8173 (m110) cc_final: 0.7856 (m110) REVERT: O 421 GLU cc_start: 0.7069 (tt0) cc_final: 0.6864 (tt0) REVERT: X 52 PHE cc_start: 0.5222 (m-80) cc_final: 0.4405 (m-80) REVERT: X 61 VAL cc_start: 0.7409 (t) cc_final: 0.7155 (t) REVERT: X 91 LYS cc_start: 0.8241 (mttp) cc_final: 0.7383 (mttp) REVERT: X 95 MET cc_start: 0.7459 (mmp) cc_final: 0.7121 (mmp) REVERT: X 127 GLU cc_start: 0.5939 (tt0) cc_final: 0.5400 (tt0) REVERT: X 180 MET cc_start: 0.7119 (mpp) cc_final: 0.6895 (mpp) REVERT: X 306 SER cc_start: 0.7158 (m) cc_final: 0.6827 (p) REVERT: X 321 ARG cc_start: 0.7241 (mtm180) cc_final: 0.6867 (mtm180) REVERT: G 83 GLU cc_start: 0.8230 (tm-30) cc_final: 0.7711 (tm-30) REVERT: G 84 ILE cc_start: 0.9054 (mt) cc_final: 0.8683 (mt) REVERT: G 118 LYS cc_start: 0.8471 (mmtm) cc_final: 0.7993 (mmtm) REVERT: G 130 LYS cc_start: 0.8611 (tmtt) cc_final: 0.8257 (tmtt) REVERT: G 134 GLN cc_start: 0.8423 (tm-30) cc_final: 0.8034 (tp40) REVERT: G 169 LYS cc_start: 0.8539 (ptpp) cc_final: 0.8288 (ptpp) REVERT: G 174 GLU cc_start: 0.6670 (mp0) cc_final: 0.6007 (mp0) REVERT: G 192 ASN cc_start: 0.8651 (m-40) cc_final: 0.8196 (m-40) REVERT: G 206 CYS cc_start: 0.7577 (p) cc_final: 0.5750 (p) REVERT: G 212 ASN cc_start: 0.8457 (m-40) cc_final: 0.8243 (m-40) REVERT: G 217 ASP cc_start: 0.7734 (t0) cc_final: 0.7438 (t0) REVERT: G 227 ARG cc_start: 0.7295 (mmp80) cc_final: 0.6610 (mmp80) REVERT: G 230 TYR cc_start: 0.7308 (m-80) cc_final: 0.6953 (m-80) REVERT: G 258 LEU cc_start: 0.7932 (mm) cc_final: 0.7154 (mp) REVERT: G 262 GLN cc_start: 0.7563 (mp10) cc_final: 0.6701 (mp10) REVERT: G 275 LEU cc_start: 0.7524 (pp) cc_final: 0.7165 (mt) REVERT: G 299 ASN cc_start: 0.8554 (m110) cc_final: 0.8175 (m110) REVERT: G 303 GLU cc_start: 0.8002 (tm-30) cc_final: 0.7714 (tm-30) REVERT: G 309 VAL cc_start: 0.8471 (p) cc_final: 0.7733 (m) REVERT: G 311 CYS cc_start: 0.8633 (m) cc_final: 0.8322 (m) REVERT: G 312 ASP cc_start: 0.8132 (t0) cc_final: 0.7452 (t0) REVERT: G 315 HIS cc_start: 0.8443 (m90) cc_final: 0.7954 (m-70) REVERT: G 317 LYS cc_start: 0.7809 (mttm) cc_final: 0.7578 (mttt) REVERT: G 321 CYS cc_start: 0.8077 (t) cc_final: 0.7325 (t) REVERT: G 322 CYS cc_start: 0.6893 (t) cc_final: 0.5913 (t) REVERT: G 345 ARG cc_start: 0.7926 (mmm160) cc_final: 0.7423 (tpp-160) REVERT: G 347 ILE cc_start: 0.7864 (pt) cc_final: 0.7338 (pt) REVERT: G 348 GLN cc_start: 0.8059 (pt0) cc_final: 0.7598 (mp10) REVERT: G 363 TYR cc_start: 0.7112 (m-80) cc_final: 0.6909 (m-80) REVERT: G 369 VAL cc_start: 0.8366 (t) cc_final: 0.8152 (p) REVERT: G 378 GLN cc_start: 0.8117 (mm110) cc_final: 0.7793 (mm-40) REVERT: G 383 MET cc_start: 0.7353 (mmm) cc_final: 0.6977 (tpp) REVERT: G 386 ASN cc_start: 0.7462 (t0) cc_final: 0.7149 (t0) REVERT: G 404 MET cc_start: 0.8831 (mtm) cc_final: 0.8591 (mtt) REVERT: G 407 LYS cc_start: 0.8469 (mmmt) cc_final: 0.7932 (mttp) REVERT: G 408 ARG cc_start: 0.7755 (ttm110) cc_final: 0.7226 (ttm110) REVERT: G 428 ARG cc_start: 0.7663 (tpt90) cc_final: 0.7385 (tpt90) REVERT: G 431 MET cc_start: 0.7870 (mmp) cc_final: 0.7414 (mmp) REVERT: G 440 GLU cc_start: 0.7924 (mt-10) cc_final: 0.7430 (mt-10) REVERT: P 11 GLN cc_start: 0.7200 (tt0) cc_final: 0.6700 (tp40) REVERT: P 19 LYS cc_start: 0.8103 (tptt) cc_final: 0.7344 (tptt) REVERT: P 24 ILE cc_start: 0.8361 (pt) cc_final: 0.8131 (pt) REVERT: P 31 ASP cc_start: 0.7617 (t0) cc_final: 0.7196 (t0) REVERT: P 47 ILE cc_start: 0.8203 (tt) cc_final: 0.7889 (tt) REVERT: P 58 LYS cc_start: 0.7603 (ttmt) cc_final: 0.7379 (ttmt) REVERT: P 59 TYR cc_start: 0.7651 (m-80) cc_final: 0.7305 (m-80) REVERT: P 64 ILE cc_start: 0.7491 (mm) cc_final: 0.6676 (mm) REVERT: P 73 MET cc_start: 0.8298 (mmt) cc_final: 0.7483 (mmt) REVERT: P 74 ASP cc_start: 0.8247 (m-30) cc_final: 0.7915 (m-30) REVERT: P 84 ILE cc_start: 0.7998 (tt) cc_final: 0.7683 (tt) REVERT: P 86 ARG cc_start: 0.8120 (tpp80) cc_final: 0.7584 (tpp80) REVERT: P 89 ASN cc_start: 0.8437 (m-40) cc_final: 0.7912 (m-40) REVERT: P 99 ASN cc_start: 0.7519 (m-40) cc_final: 0.6854 (m110) REVERT: P 122 LYS cc_start: 0.8136 (tttm) cc_final: 0.7837 (tttm) REVERT: P 134 GLN cc_start: 0.6484 (mm110) cc_final: 0.6192 (mm110) REVERT: P 147 MET cc_start: 0.7270 (tmm) cc_final: 0.6870 (tmm) REVERT: P 154 LYS cc_start: 0.7906 (mmmt) cc_final: 0.7366 (mmmt) REVERT: P 158 GLU cc_start: 0.7858 (tt0) cc_final: 0.6912 (tt0) REVERT: P 159 TYR cc_start: 0.8083 (m-10) cc_final: 0.7562 (m-80) REVERT: P 165 ASN cc_start: 0.6939 (t0) cc_final: 0.5520 (t0) REVERT: P 178 THR cc_start: 0.7589 (m) cc_final: 0.7327 (m) REVERT: P 181 GLU cc_start: 0.7213 (mt-10) cc_final: 0.6705 (mt-10) REVERT: P 184 ASN cc_start: 0.7818 (m-40) cc_final: 0.7065 (t0) REVERT: P 198 GLU cc_start: 0.6727 (pt0) cc_final: 0.6133 (pt0) REVERT: P 202 ILE cc_start: 0.5973 (mt) cc_final: 0.5283 (mt) REVERT: P 216 LYS cc_start: 0.8958 (ptpt) cc_final: 0.8290 (ptpt) REVERT: P 224 ASP cc_start: 0.7957 (m-30) cc_final: 0.7646 (m-30) REVERT: P 256 ASN cc_start: 0.8892 (m-40) cc_final: 0.8336 (m110) REVERT: P 262 ARG cc_start: 0.8217 (mtp85) cc_final: 0.7950 (mmm160) REVERT: P 264 HIS cc_start: 0.7813 (p-80) cc_final: 0.6893 (p-80) REVERT: P 289 LEU cc_start: 0.8330 (mt) cc_final: 0.8033 (mt) REVERT: P 297 LYS cc_start: 0.8071 (mmmt) cc_final: 0.7522 (mmmt) REVERT: P 300 MET cc_start: 0.7170 (mtm) cc_final: 0.6883 (mtt) REVERT: P 320 ARG cc_start: 0.7168 (mmm160) cc_final: 0.6915 (mmm160) REVERT: P 323 MET cc_start: 0.7696 (mmp) cc_final: 0.6206 (mmt) REVERT: P 325 GLU cc_start: 0.8247 (pt0) cc_final: 0.7728 (pt0) REVERT: P 327 ASP cc_start: 0.8370 (m-30) cc_final: 0.7958 (m-30) REVERT: P 330 MET cc_start: 0.8465 (mmp) cc_final: 0.7567 (mmp) REVERT: P 334 GLN cc_start: 0.8471 (pt0) cc_final: 0.7684 (pt0) REVERT: P 348 ASN cc_start: 0.7849 (m-40) cc_final: 0.7609 (m110) REVERT: P 359 ARG cc_start: 0.7200 (ttm-80) cc_final: 0.6871 (ttm-80) REVERT: P 362 LYS cc_start: 0.7484 (mmmt) cc_final: 0.6435 (mmmt) REVERT: P 363 MET cc_start: 0.7589 (mmm) cc_final: 0.7037 (mmm) REVERT: P 364 SER cc_start: 0.7503 (m) cc_final: 0.6984 (p) REVERT: P 375 GLN cc_start: 0.7873 (pt0) cc_final: 0.7034 (pt0) REVERT: P 379 LYS cc_start: 0.8568 (mmtp) cc_final: 0.8015 (mmtp) REVERT: P 392 LYS cc_start: 0.7987 (mtmm) cc_final: 0.7299 (mtmm) REVERT: P 395 LEU cc_start: 0.8409 (mt) cc_final: 0.8036 (mt) REVERT: P 397 TRP cc_start: 0.6596 (m100) cc_final: 0.6320 (m-10) REVERT: P 404 ASP cc_start: 0.7768 (t0) cc_final: 0.7441 (t0) REVERT: P 407 GLU cc_start: 0.8099 (mt-10) cc_final: 0.7537 (mt-10) REVERT: P 414 ASN cc_start: 0.8359 (m-40) cc_final: 0.8003 (m-40) REVERT: P 423 GLN cc_start: 0.7906 (tp40) cc_final: 0.7539 (tp40) REVERT: Z 178 GLU cc_start: 0.7908 (mt-10) cc_final: 0.7462 (mt-10) REVERT: Z 180 MET cc_start: 0.6209 (mmm) cc_final: 0.5637 (mpp) REVERT: Z 197 MET cc_start: 0.6526 (pmm) cc_final: 0.5842 (pmm) REVERT: Z 277 TYR cc_start: 0.6445 (m-80) cc_final: 0.5764 (m-80) REVERT: Z 282 MET cc_start: 0.7597 (tpt) cc_final: 0.7238 (tpt) REVERT: Z 311 GLU cc_start: 0.8443 (mp0) cc_final: 0.7879 (mp0) REVERT: H 11 GLN cc_start: 0.7614 (tp-100) cc_final: 0.6943 (tp-100) REVERT: H 16 MET cc_start: 0.7880 (mtm) cc_final: 0.6747 (mmp) REVERT: H 22 GLU cc_start: 0.7156 (pt0) cc_final: 0.6907 (pt0) REVERT: H 23 LEU cc_start: 0.8218 (tp) cc_final: 0.7696 (tp) REVERT: H 30 ILE cc_start: 0.7180 (mt) cc_final: 0.6957 (mm) REVERT: H 31 GLN cc_start: 0.7792 (mt0) cc_final: 0.7412 (mt0) REVERT: H 75 ASP cc_start: 0.6438 (t0) cc_final: 0.6182 (t0) REVERT: H 83 GLU cc_start: 0.7795 (tm-30) cc_final: 0.7438 (tm-30) REVERT: H 84 ILE cc_start: 0.8911 (mt) cc_final: 0.8512 (mt) REVERT: H 93 PHE cc_start: 0.7056 (m-80) cc_final: 0.6851 (m-80) REVERT: H 96 GLU cc_start: 0.7124 (tt0) cc_final: 0.6441 (tt0) REVERT: H 120 ILE cc_start: 0.8415 (tp) cc_final: 0.8173 (tp) REVERT: H 125 LEU cc_start: 0.8010 (mm) cc_final: 0.7429 (mm) REVERT: H 160 MET cc_start: 0.7286 (tmm) cc_final: 0.6997 (tpt) REVERT: H 162 ARG cc_start: 0.8137 (mmm160) cc_final: 0.7496 (mmm160) REVERT: H 174 GLU cc_start: 0.6844 (mp0) cc_final: 0.6351 (mp0) REVERT: H 211 ASP cc_start: 0.7071 (t0) cc_final: 0.6647 (t0) REVERT: H 213 GLU cc_start: 0.7868 (pt0) cc_final: 0.6780 (pt0) REVERT: H 232 ASN cc_start: 0.8758 (m110) cc_final: 0.7367 (m110) REVERT: H 235 ARG cc_start: 0.8014 (mtt-85) cc_final: 0.7552 (mtt-85) REVERT: H 260 GLU cc_start: 0.7297 (mm-30) cc_final: 0.7070 (mm-30) REVERT: H 286 LYS cc_start: 0.8265 (tttt) cc_final: 0.7809 (ttmm) REVERT: H 291 GLN cc_start: 0.7863 (tp40) cc_final: 0.7547 (tm-30) REVERT: H 308 MET cc_start: 0.7071 (mpp) cc_final: 0.6870 (mpp) REVERT: H 312 ASP cc_start: 0.8291 (t0) cc_final: 0.7903 (t70) REVERT: H 317 LYS cc_start: 0.8018 (mttm) cc_final: 0.6998 (mmmm) REVERT: H 319 MET cc_start: 0.6251 (mmm) cc_final: 0.5717 (mmm) REVERT: H 401 PHE cc_start: 0.8395 (t80) cc_final: 0.7592 (t80) REVERT: H 405 TYR cc_start: 0.7991 (t80) cc_final: 0.7459 (t80) REVERT: H 407 LYS cc_start: 0.8952 (mmmt) cc_final: 0.8419 (mmmt) REVERT: H 426 GLU cc_start: 0.7809 (mm-30) cc_final: 0.7084 (mm-30) REVERT: H 430 ASP cc_start: 0.8107 (t0) cc_final: 0.7782 (t0) REVERT: H 431 MET cc_start: 0.8038 (mmp) cc_final: 0.7817 (mmp) REVERT: H 434 LEU cc_start: 0.8579 (pp) cc_final: 0.8140 (pp) REVERT: R 3 GLU cc_start: 0.6443 (mp0) cc_final: 0.5946 (mp0) REVERT: R 27 GLU cc_start: 0.7927 (mt-10) cc_final: 0.7705 (mt-10) REVERT: R 44 LEU cc_start: 0.8282 (mm) cc_final: 0.8062 (mm) REVERT: R 73 MET cc_start: 0.7898 (mmt) cc_final: 0.7308 (mmt) REVERT: R 74 ASP cc_start: 0.8076 (m-30) cc_final: 0.7709 (m-30) REVERT: R 111 GLU cc_start: 0.7680 (pp20) cc_final: 0.7479 (pp20) REVERT: R 121 ARG cc_start: 0.8363 (mtt90) cc_final: 0.8151 (mtt90) REVERT: R 123 GLU cc_start: 0.8426 (mm-30) cc_final: 0.7633 (mm-30) REVERT: R 128 ASP cc_start: 0.7191 (p0) cc_final: 0.6411 (p0) REVERT: R 129 CYS cc_start: 0.6801 (t) cc_final: 0.5994 (p) REVERT: R 143 THR cc_start: 0.8407 (t) cc_final: 0.6990 (m) REVERT: R 149 THR cc_start: 0.8483 (p) cc_final: 0.8022 (t) REVERT: R 155 ILE cc_start: 0.8445 (mt) cc_final: 0.8167 (tp) REVERT: R 164 MET cc_start: 0.6223 (mtp) cc_final: 0.5604 (mtp) REVERT: R 174 LYS cc_start: 0.7643 (mmtm) cc_final: 0.7048 (mmtm) REVERT: R 183 TYR cc_start: 0.7730 (m-10) cc_final: 0.7524 (m-80) REVERT: R 188 SER cc_start: 0.8406 (m) cc_final: 0.8088 (p) REVERT: R 214 THR cc_start: 0.6746 (p) cc_final: 0.6348 (t) REVERT: R 216 LYS cc_start: 0.8349 (ptmt) cc_final: 0.7913 (ptmt) REVERT: R 217 LEU cc_start: 0.7914 (mm) cc_final: 0.7452 (mm) REVERT: R 222 TYR cc_start: 0.6267 (m-10) cc_final: 0.5828 (m-80) REVERT: R 224 ASP cc_start: 0.7976 (m-30) cc_final: 0.7594 (m-30) REVERT: R 233 MET cc_start: 0.7743 (mtp) cc_final: 0.7512 (mtp) REVERT: R 262 ARG cc_start: 0.7825 (mtp85) cc_final: 0.6956 (mtp180) REVERT: R 264 HIS cc_start: 0.8066 (p-80) cc_final: 0.6849 (p-80) REVERT: R 267 MET cc_start: 0.7227 (ttp) cc_final: 0.6371 (ttp) REVERT: R 273 LEU cc_start: 0.8109 (mt) cc_final: 0.7418 (mt) REVERT: R 281 TYR cc_start: 0.7744 (m-80) cc_final: 0.7072 (t80) REVERT: R 282 ARG cc_start: 0.7430 (ttt90) cc_final: 0.6131 (ttt90) REVERT: R 288 GLU cc_start: 0.6747 (tt0) cc_final: 0.6132 (tt0) REVERT: R 289 LEU cc_start: 0.8195 (mt) cc_final: 0.7813 (pp) REVERT: R 290 THR cc_start: 0.8687 (m) cc_final: 0.8232 (p) REVERT: R 293 MET cc_start: 0.7617 (mtp) cc_final: 0.7045 (mtp) REVERT: R 297 LYS cc_start: 0.7923 (mmmt) cc_final: 0.7344 (mmmt) REVERT: R 298 ASN cc_start: 0.8322 (t0) cc_final: 0.7969 (t0) REVERT: R 299 MET cc_start: 0.6889 (mtm) cc_final: 0.5642 (mtm) REVERT: R 300 MET cc_start: 0.7543 (mtm) cc_final: 0.6632 (mtm) REVERT: R 309 ARG cc_start: 0.6935 (mtt90) cc_final: 0.6400 (mtp85) REVERT: R 320 ARG cc_start: 0.7259 (ttt-90) cc_final: 0.6780 (ttt-90) REVERT: R 326 VAL cc_start: 0.9068 (t) cc_final: 0.8525 (t) REVERT: R 327 ASP cc_start: 0.8819 (m-30) cc_final: 0.8484 (m-30) REVERT: R 328 GLU cc_start: 0.7232 (pp20) cc_final: 0.6645 (pp20) REVERT: R 330 MET cc_start: 0.8420 (mmp) cc_final: 0.8030 (mmp) REVERT: R 338 SER cc_start: 0.7650 (m) cc_final: 0.7295 (t) REVERT: R 348 ASN cc_start: 0.8591 (m-40) cc_final: 0.7981 (m-40) REVERT: R 359 ARG cc_start: 0.7713 (ttm-80) cc_final: 0.7355 (ttm-80) REVERT: R 362 LYS cc_start: 0.8213 (mmmt) cc_final: 0.7186 (mmmt) REVERT: R 363 MET cc_start: 0.8044 (mmm) cc_final: 0.7562 (mmp) REVERT: R 367 PHE cc_start: 0.8276 (t80) cc_final: 0.7389 (t80) REVERT: R 390 ARG cc_start: 0.8087 (ttt180) cc_final: 0.7816 (ttt180) REVERT: R 392 LYS cc_start: 0.7660 (mtmm) cc_final: 0.7184 (mmtm) REVERT: R 397 TRP cc_start: 0.7154 (m100) cc_final: 0.5926 (m100) REVERT: R 403 MET cc_start: 0.7258 (tpp) cc_final: 0.6720 (mmm) REVERT: R 415 MET cc_start: 0.8063 (mmm) cc_final: 0.7538 (mmm) REVERT: a 32 LYS cc_start: 0.7531 (mmmt) cc_final: 0.6324 (tttm) REVERT: a 36 GLU cc_start: 0.6978 (mt-10) cc_final: 0.6308 (mt-10) REVERT: a 44 LYS cc_start: 0.6977 (tmtt) cc_final: 0.6508 (tmtt) REVERT: a 64 ASP cc_start: 0.7623 (p0) cc_final: 0.7236 (p0) REVERT: a 67 LYS cc_start: 0.6614 (tptt) cc_final: 0.6028 (pttm) REVERT: a 95 MET cc_start: 0.7360 (mtt) cc_final: 0.7016 (mtt) REVERT: a 103 GLU cc_start: 0.7252 (tp30) cc_final: 0.6716 (tp30) REVERT: a 113 GLN cc_start: 0.7644 (mm-40) cc_final: 0.7398 (mm-40) REVERT: a 199 GLU cc_start: 0.7416 (pm20) cc_final: 0.7197 (pm20) REVERT: a 252 LYS cc_start: 0.6918 (mttt) cc_final: 0.6631 (mttt) REVERT: a 268 LEU cc_start: 0.8348 (mt) cc_final: 0.8111 (mt) REVERT: a 282 MET cc_start: 0.8131 (tpt) cc_final: 0.7517 (tpt) REVERT: a 307 TYR cc_start: 0.6268 (t80) cc_final: 0.5836 (t80) REVERT: a 311 GLU cc_start: 0.8552 (pm20) cc_final: 0.8190 (pm20) outliers start: 1 outliers final: 0 residues processed: 3787 average time/residue: 0.8570 time to fit residues: 5500.4825 Evaluate side-chains 3688 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3688 time to evaluate : 8.385 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 915 optimal weight: 7.9990 chunk 964 optimal weight: 6.9990 chunk 879 optimal weight: 0.5980 chunk 937 optimal weight: 9.9990 chunk 963 optimal weight: 7.9990 chunk 564 optimal weight: 4.9990 chunk 408 optimal weight: 4.9990 chunk 736 optimal weight: 9.9990 chunk 287 optimal weight: 3.9990 chunk 847 optimal weight: 7.9990 chunk 886 optimal weight: 5.9990 overall best weight: 4.1188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 198 HIS I 262 GLN ** I 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 348 GLN ** Q 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 292 GLN ** Q 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 375 GLN ** A 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 48 ASN J 57 ASN J 280 GLN ** J 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 105 HIS ** K 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 307 GLN ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 195 ASN ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 396 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 93 HIS ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 262 GLN ** D 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 8 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 192 ASN E 335 ASN ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 335 ASN ** O 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 37 HIS O 99 ASN ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 190 HIS ** O 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 60 GLN ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 255 ASN ** P 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 227 HIS Z 211 ASN ** Z 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 28 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 245 GLN ** R 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 375 GLN ** R 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 113 GLN ** a 255 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6811 moved from start: 0.6771 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.062 85869 Z= 0.346 Angle : 0.752 10.861 116442 Z= 0.396 Chirality : 0.051 0.299 12780 Planarity : 0.005 0.088 15093 Dihedral : 9.597 174.145 12231 Min Nonbonded Distance : 1.996 Molprobity Statistics. All-atom Clashscore : 23.30 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.91 % Favored : 95.09 % Rotamer: Outliers : 0.01 % Allowed : 0.79 % Favored : 99.20 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.06 (0.08), residues: 10530 helix: -0.47 (0.08), residues: 4122 sheet: -0.51 (0.12), residues: 1800 loop : -0.83 (0.09), residues: 4608 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.043 0.003 TRP B 394 HIS 0.010 0.001 HIS O 396 PHE 0.035 0.002 PHE a 82 TYR 0.044 0.002 TYR D 230 ARG 0.015 0.001 ARG E 396 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3833 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3832 time to evaluate : 6.923 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 8 HIS cc_start: 0.7450 (m170) cc_final: 0.6671 (m-70) REVERT: I 23 LEU cc_start: 0.8783 (tp) cc_final: 0.8366 (tp) REVERT: I 24 TYR cc_start: 0.8161 (m-10) cc_final: 0.7938 (m-10) REVERT: I 31 GLN cc_start: 0.7410 (mt0) cc_final: 0.7168 (mt0) REVERT: I 61 GLU cc_start: 0.6327 (tm-30) cc_final: 0.6033 (tm-30) REVERT: I 72 VAL cc_start: 0.7621 (m) cc_final: 0.7225 (p) REVERT: I 83 GLU cc_start: 0.8531 (tm-30) cc_final: 0.8124 (tm-30) REVERT: I 96 GLU cc_start: 0.7724 (tt0) cc_final: 0.7127 (tt0) REVERT: I 120 ILE cc_start: 0.8275 (tp) cc_final: 0.7943 (tp) REVERT: I 125 LEU cc_start: 0.8780 (tt) cc_final: 0.8491 (tt) REVERT: I 127 ARG cc_start: 0.8611 (tpp80) cc_final: 0.6876 (tpt-90) REVERT: I 134 GLN cc_start: 0.8524 (tm-30) cc_final: 0.7986 (tm-30) REVERT: I 144 PHE cc_start: 0.7552 (m-80) cc_final: 0.6400 (m-80) REVERT: I 158 LEU cc_start: 0.8671 (tp) cc_final: 0.8309 (tp) REVERT: I 160 MET cc_start: 0.7739 (tmm) cc_final: 0.7085 (tmm) REVERT: I 161 GLU cc_start: 0.8132 (tt0) cc_final: 0.7706 (tm-30) REVERT: I 162 ARG cc_start: 0.8531 (mmm160) cc_final: 0.7392 (mmm-85) REVERT: I 163 LEU cc_start: 0.8754 (pp) cc_final: 0.8502 (tt) REVERT: I 167 TYR cc_start: 0.7322 (m-10) cc_final: 0.6900 (m-10) REVERT: I 172 LYS cc_start: 0.7913 (mtmm) cc_final: 0.7453 (mtmm) REVERT: I 178 TYR cc_start: 0.5953 (m-10) cc_final: 0.3940 (m-10) REVERT: I 205 ASP cc_start: 0.7713 (m-30) cc_final: 0.7202 (m-30) REVERT: I 218 ILE cc_start: 0.8629 (mm) cc_final: 0.8296 (mm) REVERT: I 257 ASP cc_start: 0.7513 (p0) cc_final: 0.6650 (p0) REVERT: I 290 GLU cc_start: 0.7802 (tp30) cc_final: 0.7228 (mm-30) REVERT: I 291 GLN cc_start: 0.7545 (tm-30) cc_final: 0.7344 (tm-30) REVERT: I 303 GLU cc_start: 0.7922 (pp20) cc_final: 0.7626 (pp20) REVERT: I 306 ASN cc_start: 0.8626 (t0) cc_final: 0.8426 (t0) REVERT: I 312 ASP cc_start: 0.7849 (t0) cc_final: 0.7236 (t0) REVERT: I 332 LYS cc_start: 0.8402 (pttm) cc_final: 0.8159 (pttm) REVERT: I 344 LYS cc_start: 0.8325 (ttmm) cc_final: 0.7992 (ttmm) REVERT: I 369 VAL cc_start: 0.8138 (t) cc_final: 0.7911 (p) REVERT: I 376 LYS cc_start: 0.8895 (tmtt) cc_final: 0.8465 (tmtt) REVERT: I 386 ASN cc_start: 0.7422 (t0) cc_final: 0.7146 (t0) REVERT: I 398 ASP cc_start: 0.8601 (t70) cc_final: 0.8011 (t0) REVERT: I 400 LYS cc_start: 0.8726 (ptpt) cc_final: 0.8389 (ptpp) REVERT: I 402 ASP cc_start: 0.8332 (m-30) cc_final: 0.7889 (m-30) REVERT: I 405 TYR cc_start: 0.8438 (t80) cc_final: 0.7887 (t80) REVERT: I 408 ARG cc_start: 0.8307 (mmp80) cc_final: 0.7973 (mmp80) REVERT: I 413 TRP cc_start: 0.8463 (m100) cc_final: 0.8230 (m100) REVERT: I 440 GLU cc_start: 0.8525 (mt-10) cc_final: 0.8163 (mt-10) REVERT: Q 11 GLN cc_start: 0.7321 (tt0) cc_final: 0.6928 (tp-100) REVERT: Q 31 ASP cc_start: 0.6913 (t0) cc_final: 0.6532 (t0) REVERT: Q 58 LYS cc_start: 0.7627 (ttmt) cc_final: 0.7367 (ttmt) REVERT: Q 62 ARG cc_start: 0.7063 (ttm110) cc_final: 0.6616 (ttm110) REVERT: Q 67 ASP cc_start: 0.7462 (t70) cc_final: 0.6749 (t70) REVERT: Q 69 GLU cc_start: 0.6522 (tm-30) cc_final: 0.5716 (tm-30) REVERT: Q 73 MET cc_start: 0.8640 (mmt) cc_final: 0.7794 (mmt) REVERT: Q 90 PHE cc_start: 0.8587 (m-10) cc_final: 0.8270 (m-80) REVERT: Q 99 ASN cc_start: 0.7564 (m-40) cc_final: 0.7355 (m110) REVERT: Q 147 MET cc_start: 0.7648 (tmm) cc_final: 0.7268 (tmm) REVERT: Q 164 MET cc_start: 0.7489 (mtp) cc_final: 0.6233 (mtp) REVERT: Q 170 MET cc_start: 0.7409 (ptp) cc_final: 0.6964 (ptp) REVERT: Q 178 THR cc_start: 0.7420 (m) cc_final: 0.6842 (m) REVERT: Q 181 GLU cc_start: 0.7556 (mt-10) cc_final: 0.6829 (mt-10) REVERT: Q 184 ASN cc_start: 0.8510 (m-40) cc_final: 0.8276 (m-40) REVERT: Q 187 LEU cc_start: 0.8518 (mt) cc_final: 0.8295 (mt) REVERT: Q 195 ASN cc_start: 0.8011 (m-40) cc_final: 0.7290 (m-40) REVERT: Q 197 ASP cc_start: 0.7031 (m-30) cc_final: 0.6796 (m-30) REVERT: Q 247 ASN cc_start: 0.7683 (m110) cc_final: 0.7311 (m110) REVERT: Q 257 MET cc_start: 0.7113 (mmm) cc_final: 0.6756 (mmm) REVERT: Q 288 GLU cc_start: 0.8116 (tt0) cc_final: 0.7287 (tt0) REVERT: Q 289 LEU cc_start: 0.8211 (mt) cc_final: 0.7912 (mt) REVERT: Q 290 THR cc_start: 0.8497 (p) cc_final: 0.7460 (t) REVERT: Q 293 MET cc_start: 0.6949 (tmm) cc_final: 0.6743 (tmm) REVERT: Q 297 LYS cc_start: 0.8426 (mmmt) cc_final: 0.7955 (mmmt) REVERT: Q 300 MET cc_start: 0.7421 (mtm) cc_final: 0.7130 (mtp) REVERT: Q 321 MET cc_start: 0.8603 (ptp) cc_final: 0.8143 (ptp) REVERT: Q 325 GLU cc_start: 0.7709 (pt0) cc_final: 0.7358 (mt-10) REVERT: Q 327 ASP cc_start: 0.8413 (m-30) cc_final: 0.8043 (m-30) REVERT: Q 330 MET cc_start: 0.8120 (mmp) cc_final: 0.6948 (mmp) REVERT: Q 331 LEU cc_start: 0.8688 (tp) cc_final: 0.8417 (tp) REVERT: Q 334 GLN cc_start: 0.8466 (pt0) cc_final: 0.7600 (pt0) REVERT: Q 337 ASN cc_start: 0.8052 (m-40) cc_final: 0.7181 (p0) REVERT: Q 345 ILE cc_start: 0.9211 (tp) cc_final: 0.8591 (pt) REVERT: Q 350 LYS cc_start: 0.7710 (tptp) cc_final: 0.6885 (tptp) REVERT: Q 362 LYS cc_start: 0.8069 (mmmt) cc_final: 0.7478 (mmmt) REVERT: Q 363 MET cc_start: 0.7693 (mmm) cc_final: 0.7050 (mmm) REVERT: Q 397 TRP cc_start: 0.7812 (m100) cc_final: 0.7185 (m100) REVERT: Q 404 ASP cc_start: 0.8445 (t0) cc_final: 0.7460 (t0) REVERT: Q 407 GLU cc_start: 0.8431 (mt-10) cc_final: 0.7456 (pt0) REVERT: Q 424 GLN cc_start: 0.7685 (tt0) cc_final: 0.7447 (tt0) REVERT: Y 22 GLU cc_start: 0.8071 (mt-10) cc_final: 0.7594 (mt-10) REVERT: Y 32 LYS cc_start: 0.7498 (tppt) cc_final: 0.6766 (mmtp) REVERT: Y 93 HIS cc_start: 0.7912 (t-90) cc_final: 0.6864 (t-90) REVERT: Y 94 THR cc_start: 0.8078 (m) cc_final: 0.7824 (m) REVERT: Y 105 MET cc_start: 0.5632 (mmm) cc_final: 0.5418 (mmm) REVERT: Y 129 HIS cc_start: 0.5246 (m-70) cc_final: 0.4626 (m-70) REVERT: Y 132 VAL cc_start: 0.6425 (m) cc_final: 0.6150 (m) REVERT: Y 161 ARG cc_start: 0.5838 (mmp80) cc_final: 0.5627 (mmp80) REVERT: Y 173 VAL cc_start: 0.7191 (m) cc_final: 0.6661 (m) REVERT: Y 178 GLU cc_start: 0.7860 (mt-10) cc_final: 0.7486 (mt-10) REVERT: Y 220 GLU cc_start: 0.6502 (mm-30) cc_final: 0.5861 (mm-30) REVERT: Y 274 TYR cc_start: 0.6945 (t80) cc_final: 0.6472 (t80) REVERT: Y 282 MET cc_start: 0.7871 (tpt) cc_final: 0.7514 (tpt) REVERT: Y 287 GLN cc_start: 0.8367 (tt0) cc_final: 0.7886 (tt0) REVERT: Y 309 GLU cc_start: 0.8510 (tp30) cc_final: 0.8203 (tp30) REVERT: A 11 GLN cc_start: 0.7459 (tt0) cc_final: 0.6702 (tm-30) REVERT: A 16 MET cc_start: 0.8472 (mtm) cc_final: 0.7784 (mtm) REVERT: A 18 ASN cc_start: 0.7983 (t0) cc_final: 0.7761 (t0) REVERT: A 22 GLU cc_start: 0.7593 (pt0) cc_final: 0.6940 (pt0) REVERT: A 23 LEU cc_start: 0.8556 (tp) cc_final: 0.7258 (tp) REVERT: A 24 TYR cc_start: 0.8087 (m-80) cc_final: 0.7225 (m-80) REVERT: A 27 GLU cc_start: 0.8259 (mt-10) cc_final: 0.7929 (mt-10) REVERT: A 73 PHE cc_start: 0.7844 (m-10) cc_final: 0.6576 (m-10) REVERT: A 79 THR cc_start: 0.7064 (p) cc_final: 0.6219 (p) REVERT: A 93 PHE cc_start: 0.7152 (m-80) cc_final: 0.5952 (m-80) REVERT: A 129 ARG cc_start: 0.8557 (mmm160) cc_final: 0.8086 (mmm160) REVERT: A 147 PHE cc_start: 0.7937 (m-10) cc_final: 0.7715 (m-10) REVERT: A 160 MET cc_start: 0.7845 (tmm) cc_final: 0.7479 (tmm) REVERT: A 161 GLU cc_start: 0.8058 (tt0) cc_final: 0.7581 (tt0) REVERT: A 169 LYS cc_start: 0.8469 (ptmm) cc_final: 0.8166 (ptmm) REVERT: A 170 LYS cc_start: 0.8430 (tppt) cc_final: 0.8113 (mmmm) REVERT: A 177 ILE cc_start: 0.8381 (mp) cc_final: 0.8150 (mp) REVERT: A 189 GLU cc_start: 0.8690 (pt0) cc_final: 0.8206 (pt0) REVERT: A 192 ASN cc_start: 0.8978 (m110) cc_final: 0.8471 (m110) REVERT: A 203 HIS cc_start: 0.8379 (m170) cc_final: 0.7733 (m170) REVERT: A 209 MET cc_start: 0.6872 (mmp) cc_final: 0.6541 (mmp) REVERT: A 213 GLU cc_start: 0.7825 (pt0) cc_final: 0.7507 (pt0) REVERT: A 218 ILE cc_start: 0.8777 (mm) cc_final: 0.8522 (mm) REVERT: A 232 ASN cc_start: 0.8579 (m110) cc_final: 0.8181 (m110) REVERT: A 235 ARG cc_start: 0.8832 (mtt-85) cc_final: 0.8251 (mtt-85) REVERT: A 260 GLU cc_start: 0.7853 (pm20) cc_final: 0.7454 (pm20) REVERT: A 308 MET cc_start: 0.6912 (mpp) cc_final: 0.6540 (mpp) REVERT: A 309 VAL cc_start: 0.8309 (p) cc_final: 0.8046 (m) REVERT: A 312 ASP cc_start: 0.7976 (t0) cc_final: 0.7299 (t0) REVERT: A 315 HIS cc_start: 0.6694 (m90) cc_final: 0.6129 (m90) REVERT: A 317 LYS cc_start: 0.7748 (mttm) cc_final: 0.6103 (mttp) REVERT: A 319 MET cc_start: 0.6184 (mmm) cc_final: 0.5906 (mmm) REVERT: A 324 LEU cc_start: 0.8448 (mp) cc_final: 0.8182 (mp) REVERT: A 341 ILE cc_start: 0.8961 (mm) cc_final: 0.8737 (mm) REVERT: A 342 LYS cc_start: 0.8461 (mttt) cc_final: 0.7752 (mttt) REVERT: A 345 ARG cc_start: 0.7706 (mmm160) cc_final: 0.7170 (mmp80) REVERT: A 352 TRP cc_start: 0.5563 (m100) cc_final: 0.5079 (m100) REVERT: A 363 TYR cc_start: 0.7872 (m-80) cc_final: 0.7386 (m-10) REVERT: A 377 VAL cc_start: 0.8637 (m) cc_final: 0.8342 (p) REVERT: A 396 ARG cc_start: 0.8442 (ttp-110) cc_final: 0.7789 (ttp-110) REVERT: A 397 LEU cc_start: 0.8923 (mt) cc_final: 0.8507 (mt) REVERT: A 400 LYS cc_start: 0.8739 (ptpt) cc_final: 0.8134 (ptpt) REVERT: A 401 PHE cc_start: 0.8595 (t80) cc_final: 0.7988 (t80) REVERT: A 402 ASP cc_start: 0.8618 (m-30) cc_final: 0.8296 (m-30) REVERT: A 404 MET cc_start: 0.8397 (mtm) cc_final: 0.8000 (mtm) REVERT: A 405 TYR cc_start: 0.8347 (t80) cc_final: 0.7839 (t80) REVERT: A 407 LYS cc_start: 0.8753 (mmmt) cc_final: 0.8403 (mmmt) REVERT: A 408 ARG cc_start: 0.8078 (mmt180) cc_final: 0.7362 (mmt180) REVERT: A 424 PHE cc_start: 0.8419 (m-10) cc_final: 0.8184 (m-10) REVERT: A 426 GLU cc_start: 0.8073 (mm-30) cc_final: 0.7540 (mm-30) REVERT: A 430 ASP cc_start: 0.8606 (t0) cc_final: 0.8212 (t0) REVERT: A 437 ASP cc_start: 0.6455 (m-30) cc_final: 0.5710 (m-30) REVERT: A 438 TYR cc_start: 0.7397 (m-10) cc_final: 0.6771 (m-10) REVERT: A 440 GLU cc_start: 0.7413 (mt-10) cc_final: 0.7083 (mt-10) REVERT: J 3 GLU cc_start: 0.6435 (mp0) cc_final: 0.6091 (mp0) REVERT: J 20 PHE cc_start: 0.8684 (t80) cc_final: 0.8464 (t80) REVERT: J 73 MET cc_start: 0.8323 (mmt) cc_final: 0.7758 (mmt) REVERT: J 74 ASP cc_start: 0.7896 (m-30) cc_final: 0.7522 (m-30) REVERT: J 84 ILE cc_start: 0.8290 (tt) cc_final: 0.8043 (tp) REVERT: J 108 GLU cc_start: 0.8201 (mm-30) cc_final: 0.7092 (tp30) REVERT: J 121 ARG cc_start: 0.8607 (mtt180) cc_final: 0.7957 (ttm110) REVERT: J 122 LYS cc_start: 0.8382 (ttpp) cc_final: 0.7939 (ttpp) REVERT: J 136 THR cc_start: 0.6919 (p) cc_final: 0.6430 (p) REVERT: J 143 THR cc_start: 0.8630 (t) cc_final: 0.7977 (t) REVERT: J 155 ILE cc_start: 0.8783 (mt) cc_final: 0.8523 (tp) REVERT: J 160 PRO cc_start: 0.8853 (Cg_endo) cc_final: 0.8566 (Cg_exo) REVERT: J 161 ASP cc_start: 0.7952 (p0) cc_final: 0.7738 (p0) REVERT: J 178 THR cc_start: 0.6733 (m) cc_final: 0.6364 (m) REVERT: J 181 GLU cc_start: 0.7441 (mt-10) cc_final: 0.6541 (mt-10) REVERT: J 184 ASN cc_start: 0.8756 (p0) cc_final: 0.8037 (p0) REVERT: J 186 THR cc_start: 0.9014 (p) cc_final: 0.8803 (t) REVERT: J 198 GLU cc_start: 0.7186 (pt0) cc_final: 0.6341 (pt0) REVERT: J 205 GLU cc_start: 0.6977 (pt0) cc_final: 0.6312 (pt0) REVERT: J 225 LEU cc_start: 0.9197 (mt) cc_final: 0.8890 (mt) REVERT: J 226 ASN cc_start: 0.8249 (m-40) cc_final: 0.8031 (m-40) REVERT: J 237 THR cc_start: 0.7713 (p) cc_final: 0.7462 (p) REVERT: J 240 LEU cc_start: 0.8692 (pt) cc_final: 0.8380 (pp) REVERT: J 241 ARG cc_start: 0.7794 (ttp-110) cc_final: 0.7413 (ttp-110) REVERT: J 250 LEU cc_start: 0.8579 (mt) cc_final: 0.8224 (tp) REVERT: J 251 ARG cc_start: 0.8297 (tpt-90) cc_final: 0.7693 (tpt-90) REVERT: J 266 PHE cc_start: 0.7461 (m-10) cc_final: 0.7094 (m-10) REVERT: J 273 LEU cc_start: 0.7858 (mt) cc_final: 0.7575 (mt) REVERT: J 297 LYS cc_start: 0.8012 (mmmt) cc_final: 0.7362 (mmmt) REVERT: J 300 MET cc_start: 0.7538 (ptp) cc_final: 0.6290 (ptp) REVERT: J 321 MET cc_start: 0.8337 (ptp) cc_final: 0.7846 (ptp) REVERT: J 323 MET cc_start: 0.8060 (mmp) cc_final: 0.7242 (mmp) REVERT: J 324 LYS cc_start: 0.8332 (ttpt) cc_final: 0.7521 (ttpt) REVERT: J 327 ASP cc_start: 0.8468 (m-30) cc_final: 0.7808 (m-30) REVERT: J 328 GLU cc_start: 0.7110 (pp20) cc_final: 0.6691 (pp20) REVERT: J 330 MET cc_start: 0.8372 (mmp) cc_final: 0.7914 (mmp) REVERT: J 347 ASN cc_start: 0.7400 (t0) cc_final: 0.7031 (t0) REVERT: J 351 THR cc_start: 0.7931 (p) cc_final: 0.7237 (p) REVERT: J 370 ASN cc_start: 0.7124 (p0) cc_final: 0.6773 (p0) REVERT: J 375 GLN cc_start: 0.7553 (pp30) cc_final: 0.6593 (tm-30) REVERT: J 379 LYS cc_start: 0.7994 (mmtm) cc_final: 0.7317 (mmtm) REVERT: J 389 PHE cc_start: 0.7948 (t80) cc_final: 0.7549 (t80) REVERT: J 390 ARG cc_start: 0.8315 (ttp80) cc_final: 0.8054 (ttp80) REVERT: J 392 LYS cc_start: 0.7949 (mtmm) cc_final: 0.7348 (mmtm) REVERT: J 395 LEU cc_start: 0.7957 (mt) cc_final: 0.7579 (mt) REVERT: J 397 TRP cc_start: 0.7593 (m100) cc_final: 0.7169 (m-10) REVERT: J 403 MET cc_start: 0.7691 (mmm) cc_final: 0.6622 (mmm) REVERT: J 404 ASP cc_start: 0.8329 (t0) cc_final: 0.7749 (t0) REVERT: J 407 GLU cc_start: 0.8230 (mt-10) cc_final: 0.7609 (mt-10) REVERT: J 410 GLU cc_start: 0.8203 (mt-10) cc_final: 0.7733 (mt-10) REVERT: J 414 ASN cc_start: 0.8831 (m-40) cc_final: 0.8425 (m-40) REVERT: J 415 MET cc_start: 0.8275 (tpt) cc_final: 0.7405 (mmm) REVERT: J 421 GLU cc_start: 0.8121 (tt0) cc_final: 0.7770 (tt0) REVERT: J 423 GLN cc_start: 0.8534 (tp-100) cc_final: 0.8225 (tp-100) REVERT: S 18 LEU cc_start: 0.7614 (mt) cc_final: 0.7387 (mt) REVERT: S 32 LYS cc_start: 0.8062 (mmpt) cc_final: 0.7729 (mttp) REVERT: S 36 GLU cc_start: 0.7603 (mt-10) cc_final: 0.7221 (mt-10) REVERT: S 41 ILE cc_start: 0.7008 (mm) cc_final: 0.6572 (mm) REVERT: S 67 LYS cc_start: 0.7186 (tptt) cc_final: 0.6690 (pttm) REVERT: S 103 GLU cc_start: 0.8096 (tp30) cc_final: 0.7544 (tp30) REVERT: S 110 ARG cc_start: 0.6314 (mtt-85) cc_final: 0.5873 (mtt180) REVERT: S 131 LYS cc_start: 0.7476 (mtmm) cc_final: 0.6710 (mtmm) REVERT: S 171 ARG cc_start: 0.7770 (ttt180) cc_final: 0.7504 (ttt180) REVERT: S 178 GLU cc_start: 0.8404 (mt-10) cc_final: 0.7297 (mt-10) REVERT: S 210 ILE cc_start: 0.7857 (mp) cc_final: 0.7609 (mp) REVERT: S 217 THR cc_start: 0.6532 (m) cc_final: 0.5873 (p) REVERT: S 220 GLU cc_start: 0.5441 (mm-30) cc_final: 0.5009 (mm-30) REVERT: S 227 LEU cc_start: 0.7983 (tp) cc_final: 0.7633 (tp) REVERT: S 229 LEU cc_start: 0.7487 (mp) cc_final: 0.7062 (mp) REVERT: S 278 ARG cc_start: 0.6666 (mtt180) cc_final: 0.6460 (mtt180) REVERT: S 307 TYR cc_start: 0.6647 (t80) cc_final: 0.6071 (t80) REVERT: S 311 GLU cc_start: 0.8535 (pm20) cc_final: 0.8309 (pm20) REVERT: B 11 GLN cc_start: 0.7826 (tp-100) cc_final: 0.7136 (tm-30) REVERT: B 15 GLN cc_start: 0.8661 (mm-40) cc_final: 0.8326 (mm110) REVERT: B 16 MET cc_start: 0.8900 (tpt) cc_final: 0.8655 (tpt) REVERT: B 21 TRP cc_start: 0.8391 (m100) cc_final: 0.8140 (m100) REVERT: B 23 LEU cc_start: 0.8488 (tp) cc_final: 0.8268 (tp) REVERT: B 24 TYR cc_start: 0.8399 (m-80) cc_final: 0.7278 (m-80) REVERT: B 75 ASP cc_start: 0.6622 (t0) cc_final: 0.6362 (t0) REVERT: B 83 GLU cc_start: 0.7956 (tm-30) cc_final: 0.7461 (tm-30) REVERT: B 84 ILE cc_start: 0.8694 (mm) cc_final: 0.7878 (mm) REVERT: B 120 ILE cc_start: 0.8532 (tp) cc_final: 0.8280 (tp) REVERT: B 158 LEU cc_start: 0.8422 (tp) cc_final: 0.8079 (tp) REVERT: B 170 LYS cc_start: 0.8358 (mmtp) cc_final: 0.8000 (mmtp) REVERT: B 192 ASN cc_start: 0.8646 (m110) cc_final: 0.8367 (m110) REVERT: B 209 MET cc_start: 0.6923 (mmm) cc_final: 0.6712 (mmm) REVERT: B 218 ILE cc_start: 0.8507 (mp) cc_final: 0.8186 (mp) REVERT: B 265 LEU cc_start: 0.8183 (mm) cc_final: 0.7885 (mm) REVERT: B 267 PRO cc_start: 0.8370 (Cg_exo) cc_final: 0.7943 (Cg_endo) REVERT: B 268 TYR cc_start: 0.8475 (m-80) cc_final: 0.8274 (m-80) REVERT: B 282 ILE cc_start: 0.7770 (tp) cc_final: 0.7391 (tp) REVERT: B 283 SER cc_start: 0.8361 (p) cc_final: 0.7871 (p) REVERT: B 286 LYS cc_start: 0.7906 (ttmt) cc_final: 0.7580 (ttmt) REVERT: B 308 MET cc_start: 0.7603 (mmt) cc_final: 0.7077 (mmt) REVERT: B 312 ASP cc_start: 0.7206 (t0) cc_final: 0.6586 (t0) REVERT: B 315 HIS cc_start: 0.8282 (m90) cc_final: 0.7640 (m-70) REVERT: B 317 LYS cc_start: 0.7937 (mttm) cc_final: 0.7458 (mttm) REVERT: B 319 MET cc_start: 0.7482 (mmm) cc_final: 0.6536 (mmm) REVERT: B 322 CYS cc_start: 0.7453 (t) cc_final: 0.6689 (t) REVERT: B 323 LEU cc_start: 0.8428 (mm) cc_final: 0.8202 (mm) REVERT: B 324 LEU cc_start: 0.7589 (mp) cc_final: 0.7000 (mp) REVERT: B 344 LYS cc_start: 0.6945 (ttmm) cc_final: 0.6510 (ttmm) REVERT: B 345 ARG cc_start: 0.8148 (mmm160) cc_final: 0.7840 (mmm160) REVERT: B 358 LYS cc_start: 0.7585 (tmtt) cc_final: 0.7305 (tmtt) REVERT: B 378 GLN cc_start: 0.7574 (mm110) cc_final: 0.7172 (mm-40) REVERT: B 379 ARG cc_start: 0.7985 (mtm110) cc_final: 0.7615 (mtm180) REVERT: B 385 SER cc_start: 0.8185 (t) cc_final: 0.7906 (m) REVERT: B 403 LEU cc_start: 0.8446 (mt) cc_final: 0.8212 (mt) REVERT: B 405 TYR cc_start: 0.7704 (t80) cc_final: 0.7051 (t80) REVERT: B 410 PHE cc_start: 0.8549 (m-80) cc_final: 0.7985 (m-80) REVERT: B 421 GLU cc_start: 0.6760 (tp30) cc_final: 0.6396 (tp30) REVERT: B 423 GLU cc_start: 0.8572 (pp20) cc_final: 0.8071 (pp20) REVERT: B 426 GLU cc_start: 0.8309 (mm-30) cc_final: 0.7878 (mm-30) REVERT: B 428 ARG cc_start: 0.7830 (tmt170) cc_final: 0.7583 (tmt170) REVERT: B 440 GLU cc_start: 0.7937 (mt-10) cc_final: 0.7364 (mt-10) REVERT: K 14 ASN cc_start: 0.8385 (m-40) cc_final: 0.7723 (m110) REVERT: K 21 TRP cc_start: 0.8425 (m100) cc_final: 0.8088 (m100) REVERT: K 22 GLU cc_start: 0.8245 (mt-10) cc_final: 0.7825 (mt-10) REVERT: K 27 GLU cc_start: 0.8404 (mt-10) cc_final: 0.8087 (mt-10) REVERT: K 48 ASN cc_start: 0.7377 (p0) cc_final: 0.7013 (p0) REVERT: K 58 LYS cc_start: 0.6907 (ttmm) cc_final: 0.6671 (ttmm) REVERT: K 73 MET cc_start: 0.8031 (mmt) cc_final: 0.7412 (mmt) REVERT: K 123 GLU cc_start: 0.9227 (mm-30) cc_final: 0.8876 (mm-30) REVERT: K 131 GLN cc_start: 0.5727 (tp40) cc_final: 0.5408 (tp40) REVERT: K 147 MET cc_start: 0.7048 (tmm) cc_final: 0.6664 (tmm) REVERT: K 150 LEU cc_start: 0.8313 (tp) cc_final: 0.8001 (tp) REVERT: K 152 ILE cc_start: 0.8069 (mm) cc_final: 0.7848 (mm) REVERT: K 154 LYS cc_start: 0.7880 (mmmt) cc_final: 0.7333 (mmmt) REVERT: K 164 MET cc_start: 0.6715 (mtp) cc_final: 0.5394 (mtp) REVERT: K 165 ASN cc_start: 0.7318 (t0) cc_final: 0.6452 (t0) REVERT: K 195 ASN cc_start: 0.7611 (m-40) cc_final: 0.6765 (m-40) REVERT: K 197 ASP cc_start: 0.6929 (m-30) cc_final: 0.5969 (m-30) REVERT: K 198 GLU cc_start: 0.7172 (pt0) cc_final: 0.6824 (pt0) REVERT: K 216 LYS cc_start: 0.8412 (pttp) cc_final: 0.8146 (pttp) REVERT: K 233 MET cc_start: 0.8743 (mtp) cc_final: 0.8293 (mtp) REVERT: K 247 ASN cc_start: 0.7464 (m110) cc_final: 0.7151 (m110) REVERT: K 260 PHE cc_start: 0.7832 (m-80) cc_final: 0.7558 (m-80) REVERT: K 263 LEU cc_start: 0.8504 (mt) cc_final: 0.8290 (mt) REVERT: K 266 PHE cc_start: 0.7025 (m-10) cc_final: 0.6578 (m-10) REVERT: K 270 PHE cc_start: 0.7282 (t80) cc_final: 0.7010 (t80) REVERT: K 327 ASP cc_start: 0.8556 (m-30) cc_final: 0.7841 (p0) REVERT: K 330 MET cc_start: 0.8538 (mmp) cc_final: 0.8039 (mmp) REVERT: K 345 ILE cc_start: 0.8835 (tp) cc_final: 0.8495 (tp) REVERT: K 347 ASN cc_start: 0.8286 (t0) cc_final: 0.7949 (t0) REVERT: K 350 LYS cc_start: 0.8047 (tptp) cc_final: 0.7151 (tptp) REVERT: K 362 LYS cc_start: 0.8039 (mmmt) cc_final: 0.7434 (mmmt) REVERT: K 363 MET cc_start: 0.8087 (mmm) cc_final: 0.7625 (mmm) REVERT: K 383 GLU cc_start: 0.8265 (mm-30) cc_final: 0.7723 (mm-30) REVERT: K 385 PHE cc_start: 0.8155 (t80) cc_final: 0.7829 (t80) REVERT: K 398 TYR cc_start: 0.7153 (m-80) cc_final: 0.6811 (m-80) REVERT: K 403 MET cc_start: 0.6137 (ttt) cc_final: 0.5376 (ttt) REVERT: K 407 GLU cc_start: 0.8569 (mt-10) cc_final: 0.7870 (mt-10) REVERT: K 408 PHE cc_start: 0.8451 (m-80) cc_final: 0.7607 (m-80) REVERT: K 415 MET cc_start: 0.7917 (tpt) cc_final: 0.7524 (tpt) REVERT: K 421 GLU cc_start: 0.8049 (tt0) cc_final: 0.7152 (tt0) REVERT: K 423 GLN cc_start: 0.8062 (pp30) cc_final: 0.7824 (pp30) REVERT: T 18 LEU cc_start: 0.7839 (mt) cc_final: 0.7603 (mt) REVERT: T 60 GLN cc_start: 0.6918 (mt0) cc_final: 0.6527 (mt0) REVERT: T 93 HIS cc_start: 0.6115 (m-70) cc_final: 0.5640 (m-70) REVERT: T 180 MET cc_start: 0.7546 (tmm) cc_final: 0.7272 (tmm) REVERT: T 199 GLU cc_start: 0.7571 (tp30) cc_final: 0.7355 (tp30) REVERT: T 228 TYR cc_start: 0.6124 (m-80) cc_final: 0.5229 (m-80) REVERT: T 256 LYS cc_start: 0.7384 (mmmt) cc_final: 0.6895 (mmmt) REVERT: T 282 MET cc_start: 0.6687 (tpt) cc_final: 0.6135 (tpt) REVERT: T 313 LYS cc_start: 0.7808 (mtmt) cc_final: 0.7555 (tppt) REVERT: T 321 ARG cc_start: 0.7952 (mtm180) cc_final: 0.7226 (mtm180) REVERT: C 23 LEU cc_start: 0.8572 (tp) cc_final: 0.8292 (tp) REVERT: C 31 GLN cc_start: 0.7819 (mt0) cc_final: 0.7387 (mt0) REVERT: C 73 PHE cc_start: 0.8258 (m-10) cc_final: 0.7612 (m-10) REVERT: C 83 GLU cc_start: 0.8114 (tm-30) cc_final: 0.7736 (tm-30) REVERT: C 84 ILE cc_start: 0.8755 (mt) cc_final: 0.8207 (mt) REVERT: C 93 PHE cc_start: 0.6840 (m-80) cc_final: 0.6271 (m-80) REVERT: C 96 GLU cc_start: 0.7599 (tt0) cc_final: 0.7145 (tt0) REVERT: C 127 ARG cc_start: 0.8045 (tpp80) cc_final: 0.7391 (tpt-90) REVERT: C 134 GLN cc_start: 0.7726 (tm-30) cc_final: 0.7195 (tm-30) REVERT: C 158 LEU cc_start: 0.8661 (tp) cc_final: 0.8427 (tp) REVERT: C 160 MET cc_start: 0.7875 (tmm) cc_final: 0.7505 (tmm) REVERT: C 189 GLU cc_start: 0.8059 (pm20) cc_final: 0.7336 (pm20) REVERT: C 206 CYS cc_start: 0.7453 (p) cc_final: 0.6997 (p) REVERT: C 208 PHE cc_start: 0.6937 (m-10) cc_final: 0.6684 (m-10) REVERT: C 212 ASN cc_start: 0.8520 (m-40) cc_final: 0.8246 (m-40) REVERT: C 216 TYR cc_start: 0.8463 (m-80) cc_final: 0.8011 (m-80) REVERT: C 265 LEU cc_start: 0.8385 (mm) cc_final: 0.7870 (mm) REVERT: C 271 ILE cc_start: 0.8047 (tp) cc_final: 0.7762 (tp) REVERT: C 277 THR cc_start: 0.7626 (t) cc_final: 0.6791 (p) REVERT: C 286 LYS cc_start: 0.8341 (mtpt) cc_final: 0.8047 (mtpp) REVERT: C 308 MET cc_start: 0.7172 (mpp) cc_final: 0.6909 (mpp) REVERT: C 312 ASP cc_start: 0.7359 (t0) cc_final: 0.6677 (t0) REVERT: C 315 HIS cc_start: 0.8300 (m90) cc_final: 0.7822 (m90) REVERT: C 319 MET cc_start: 0.7907 (ttt) cc_final: 0.7140 (ttt) REVERT: C 342 LYS cc_start: 0.8511 (ttmm) cc_final: 0.8189 (ttmm) REVERT: C 345 ARG cc_start: 0.8014 (mmm160) cc_final: 0.7732 (mmm160) REVERT: C 349 PHE cc_start: 0.8245 (m-80) cc_final: 0.7857 (m-10) REVERT: C 379 ARG cc_start: 0.8243 (ptp90) cc_final: 0.7311 (mtm180) REVERT: C 386 ASN cc_start: 0.7546 (t0) cc_final: 0.5532 (t0) REVERT: C 400 LYS cc_start: 0.7972 (ptpt) cc_final: 0.7698 (pttm) REVERT: C 403 LEU cc_start: 0.8590 (mt) cc_final: 0.8379 (mt) REVERT: C 404 MET cc_start: 0.7843 (mtm) cc_final: 0.7443 (mmt) REVERT: C 408 ARG cc_start: 0.7156 (mmt180) cc_final: 0.6569 (mmt180) REVERT: C 410 PHE cc_start: 0.7887 (m-80) cc_final: 0.7522 (m-80) REVERT: C 414 TYR cc_start: 0.8420 (m-80) cc_final: 0.8033 (m-80) REVERT: C 421 GLU cc_start: 0.6343 (tp30) cc_final: 0.5590 (tp30) REVERT: C 424 PHE cc_start: 0.8792 (m-10) cc_final: 0.8325 (m-10) REVERT: C 426 GLU cc_start: 0.8274 (mm-30) cc_final: 0.7976 (mm-30) REVERT: C 428 ARG cc_start: 0.7810 (tmt170) cc_final: 0.7547 (tmt170) REVERT: C 431 MET cc_start: 0.8320 (mmm) cc_final: 0.7899 (mmm) REVERT: C 440 GLU cc_start: 0.7697 (mt-10) cc_final: 0.7103 (mt-10) REVERT: L 20 PHE cc_start: 0.8823 (t80) cc_final: 0.8065 (t80) REVERT: L 21 TRP cc_start: 0.8564 (m100) cc_final: 0.7927 (m100) REVERT: L 22 GLU cc_start: 0.8378 (mt-10) cc_final: 0.8059 (mt-10) REVERT: L 24 ILE cc_start: 0.8943 (pt) cc_final: 0.8699 (pt) REVERT: L 67 ASP cc_start: 0.7484 (t70) cc_final: 0.7278 (t70) REVERT: L 73 MET cc_start: 0.8081 (mmt) cc_final: 0.7427 (mmt) REVERT: L 92 PHE cc_start: 0.8525 (p90) cc_final: 0.8083 (p90) REVERT: L 123 GLU cc_start: 0.8976 (mm-30) cc_final: 0.8772 (mm-30) REVERT: L 136 THR cc_start: 0.6535 (p) cc_final: 0.6301 (p) REVERT: L 147 MET cc_start: 0.7026 (tmm) cc_final: 0.6662 (tmm) REVERT: L 154 LYS cc_start: 0.8376 (mmtt) cc_final: 0.7949 (mmtt) REVERT: L 165 ASN cc_start: 0.7224 (t0) cc_final: 0.6669 (t0) REVERT: L 181 GLU cc_start: 0.8085 (mt-10) cc_final: 0.7469 (mt-10) REVERT: L 184 ASN cc_start: 0.8504 (m-40) cc_final: 0.8268 (m-40) REVERT: L 187 LEU cc_start: 0.8252 (mt) cc_final: 0.7743 (mt) REVERT: L 191 GLN cc_start: 0.8107 (mp-120) cc_final: 0.7374 (mp-120) REVERT: L 216 LYS cc_start: 0.8603 (ptpt) cc_final: 0.8307 (ptpt) REVERT: L 225 LEU cc_start: 0.9243 (mt) cc_final: 0.8932 (mt) REVERT: L 227 HIS cc_start: 0.7504 (m90) cc_final: 0.7083 (m90) REVERT: L 233 MET cc_start: 0.8917 (mtp) cc_final: 0.8354 (mtp) REVERT: L 241 ARG cc_start: 0.7743 (mtm110) cc_final: 0.7410 (ttm110) REVERT: L 247 ASN cc_start: 0.6751 (m110) cc_final: 0.6546 (m110) REVERT: L 270 PHE cc_start: 0.7271 (t80) cc_final: 0.6584 (t80) REVERT: L 289 LEU cc_start: 0.8971 (mt) cc_final: 0.8589 (mt) REVERT: L 292 GLN cc_start: 0.8329 (tt0) cc_final: 0.8023 (tt0) REVERT: L 293 MET cc_start: 0.7662 (mmm) cc_final: 0.7330 (mmm) REVERT: L 297 LYS cc_start: 0.8751 (mmmt) cc_final: 0.8376 (mmmt) REVERT: L 324 LYS cc_start: 0.8282 (ttpt) cc_final: 0.7877 (ttpt) REVERT: L 327 ASP cc_start: 0.8620 (m-30) cc_final: 0.8308 (m-30) REVERT: L 336 LYS cc_start: 0.8510 (mtmt) cc_final: 0.8133 (mtmm) REVERT: L 341 PHE cc_start: 0.7591 (m-80) cc_final: 0.7277 (m-80) REVERT: L 347 ASN cc_start: 0.8114 (t0) cc_final: 0.7658 (t0) REVERT: L 350 LYS cc_start: 0.8313 (tptp) cc_final: 0.7553 (tptp) REVERT: L 362 LYS cc_start: 0.7920 (mmmt) cc_final: 0.7364 (mmmt) REVERT: L 363 MET cc_start: 0.8087 (tpt) cc_final: 0.7747 (tpp) REVERT: L 389 PHE cc_start: 0.8590 (t80) cc_final: 0.8334 (t80) REVERT: L 390 ARG cc_start: 0.8067 (ptm-80) cc_final: 0.7296 (ptm-80) REVERT: L 403 MET cc_start: 0.6778 (ttt) cc_final: 0.6237 (ttt) REVERT: L 406 MET cc_start: 0.8207 (mtt) cc_final: 0.7989 (mtt) REVERT: L 407 GLU cc_start: 0.8315 (mt-10) cc_final: 0.7765 (mt-10) REVERT: L 408 PHE cc_start: 0.8076 (m-80) cc_final: 0.6874 (m-80) REVERT: L 414 ASN cc_start: 0.8212 (m110) cc_final: 0.7780 (m110) REVERT: L 415 MET cc_start: 0.8178 (tpt) cc_final: 0.7777 (tpt) REVERT: L 421 GLU cc_start: 0.8218 (tt0) cc_final: 0.7712 (tt0) REVERT: L 422 TYR cc_start: 0.7849 (m-80) cc_final: 0.7288 (m-80) REVERT: U 22 GLU cc_start: 0.6600 (mt-10) cc_final: 0.6068 (mt-10) REVERT: U 95 MET cc_start: 0.8024 (mmm) cc_final: 0.7236 (mmm) REVERT: U 96 GLU cc_start: 0.7599 (tt0) cc_final: 0.7088 (tt0) REVERT: U 103 GLU cc_start: 0.8241 (tp30) cc_final: 0.8009 (tp30) REVERT: U 180 MET cc_start: 0.7655 (tmm) cc_final: 0.7313 (tmm) REVERT: U 237 LYS cc_start: 0.6918 (mttt) cc_final: 0.6501 (mttt) REVERT: U 256 LYS cc_start: 0.7771 (mmmt) cc_final: 0.7235 (mmmt) REVERT: U 263 ASN cc_start: 0.8081 (m110) cc_final: 0.7862 (m110) REVERT: U 321 ARG cc_start: 0.7410 (mtm180) cc_final: 0.6942 (mtm180) REVERT: D 11 GLN cc_start: 0.7312 (tp-100) cc_final: 0.6373 (tp-100) REVERT: D 15 GLN cc_start: 0.8507 (mm-40) cc_final: 0.8083 (mm110) REVERT: D 16 MET cc_start: 0.8475 (mtm) cc_final: 0.7623 (mtm) REVERT: D 21 TRP cc_start: 0.8157 (m100) cc_final: 0.7420 (m100) REVERT: D 31 GLN cc_start: 0.7555 (mt0) cc_final: 0.6988 (mt0) REVERT: D 72 VAL cc_start: 0.7647 (m) cc_final: 0.7332 (p) REVERT: D 92 LEU cc_start: 0.8097 (mt) cc_final: 0.7635 (mt) REVERT: D 97 GLN cc_start: 0.7597 (mp10) cc_final: 0.7048 (mp10) REVERT: D 119 GLU cc_start: 0.8169 (pp20) cc_final: 0.7835 (pp20) REVERT: D 125 LEU cc_start: 0.8439 (mm) cc_final: 0.8192 (mm) REVERT: D 144 PHE cc_start: 0.7698 (m-80) cc_final: 0.7383 (m-80) REVERT: D 160 MET cc_start: 0.7404 (tmm) cc_final: 0.6928 (tmm) REVERT: D 171 SER cc_start: 0.8121 (m) cc_final: 0.7815 (p) REVERT: D 182 GLN cc_start: 0.8011 (pp30) cc_final: 0.7596 (pp30) REVERT: D 192 ASN cc_start: 0.8658 (m110) cc_final: 0.8205 (m110) REVERT: D 201 LEU cc_start: 0.8444 (tt) cc_final: 0.8229 (tt) REVERT: D 209 MET cc_start: 0.6553 (mmm) cc_final: 0.6190 (mmm) REVERT: D 220 ARG cc_start: 0.7359 (ttt-90) cc_final: 0.6867 (mmm-85) REVERT: D 222 ASN cc_start: 0.8644 (m-40) cc_final: 0.8140 (m-40) REVERT: D 232 ASN cc_start: 0.8433 (m-40) cc_final: 0.8169 (m-40) REVERT: D 286 LYS cc_start: 0.8373 (ttmt) cc_final: 0.8106 (ttmm) REVERT: D 289 HIS cc_start: 0.7026 (m90) cc_final: 0.6481 (m90) REVERT: D 290 GLU cc_start: 0.7312 (tm-30) cc_final: 0.6475 (tm-30) REVERT: D 303 GLU cc_start: 0.8080 (tm-30) cc_final: 0.7876 (tm-30) REVERT: D 308 MET cc_start: 0.7218 (mmt) cc_final: 0.6329 (mmt) REVERT: D 311 CYS cc_start: 0.8348 (m) cc_final: 0.7793 (m) REVERT: D 312 ASP cc_start: 0.7819 (t0) cc_final: 0.7207 (t0) REVERT: D 317 LYS cc_start: 0.7664 (mmtt) cc_final: 0.7461 (mmmm) REVERT: D 319 MET cc_start: 0.7047 (tpt) cc_final: 0.6208 (tpt) REVERT: D 321 CYS cc_start: 0.7089 (t) cc_final: 0.6826 (t) REVERT: D 325 TYR cc_start: 0.8105 (m-80) cc_final: 0.7755 (m-80) REVERT: D 381 VAL cc_start: 0.7963 (p) cc_final: 0.7715 (p) REVERT: D 386 ASN cc_start: 0.7373 (t0) cc_final: 0.6947 (t0) REVERT: D 400 LYS cc_start: 0.8695 (ptpt) cc_final: 0.8171 (ptpp) REVERT: D 404 MET cc_start: 0.8614 (mtm) cc_final: 0.7976 (mmm) REVERT: D 407 LYS cc_start: 0.8647 (mmmt) cc_final: 0.8315 (tppp) REVERT: D 410 PHE cc_start: 0.7910 (m-80) cc_final: 0.7395 (m-80) REVERT: D 412 HIS cc_start: 0.7901 (p-80) cc_final: 0.7475 (p-80) REVERT: D 413 TRP cc_start: 0.8158 (m100) cc_final: 0.7664 (m100) REVERT: D 421 GLU cc_start: 0.7759 (tp30) cc_final: 0.7500 (tp30) REVERT: D 440 GLU cc_start: 0.8124 (mt-10) cc_final: 0.7474 (mt-10) REVERT: D 441 VAL cc_start: 0.8793 (p) cc_final: 0.8319 (p) REVERT: D 443 ILE cc_start: 0.7255 (mt) cc_final: 0.6899 (mt) REVERT: M 11 GLN cc_start: 0.7343 (tt0) cc_final: 0.6692 (tp40) REVERT: M 20 PHE cc_start: 0.8947 (t80) cc_final: 0.8505 (t80) REVERT: M 26 ASP cc_start: 0.8157 (m-30) cc_final: 0.7739 (m-30) REVERT: M 31 ASP cc_start: 0.7676 (t0) cc_final: 0.7326 (t0) REVERT: M 46 ARG cc_start: 0.7831 (mmt180) cc_final: 0.7591 (mmt180) REVERT: M 69 GLU cc_start: 0.6459 (tm-30) cc_final: 0.5773 (tm-30) REVERT: M 73 MET cc_start: 0.8426 (mmt) cc_final: 0.7814 (mmt) REVERT: M 74 ASP cc_start: 0.8325 (m-30) cc_final: 0.8043 (m-30) REVERT: M 86 ARG cc_start: 0.4110 (mmt180) cc_final: 0.3866 (mmt180) REVERT: M 121 ARG cc_start: 0.8134 (mtt90) cc_final: 0.7924 (ttm-80) REVERT: M 122 LYS cc_start: 0.8537 (ttpp) cc_final: 0.8298 (ttpp) REVERT: M 125 GLU cc_start: 0.7934 (mm-30) cc_final: 0.7591 (mm-30) REVERT: M 134 GLN cc_start: 0.6598 (mm110) cc_final: 0.6176 (mm110) REVERT: M 136 THR cc_start: 0.7188 (m) cc_final: 0.6594 (t) REVERT: M 151 LEU cc_start: 0.8543 (pp) cc_final: 0.7978 (tt) REVERT: M 154 LYS cc_start: 0.8338 (mmmt) cc_final: 0.7910 (mmmt) REVERT: M 164 MET cc_start: 0.7354 (mtp) cc_final: 0.6241 (mtp) REVERT: M 178 THR cc_start: 0.7683 (t) cc_final: 0.6844 (m) REVERT: M 184 ASN cc_start: 0.8607 (m-40) cc_final: 0.7974 (t0) REVERT: M 195 ASN cc_start: 0.8472 (m-40) cc_final: 0.7598 (m110) REVERT: M 198 GLU cc_start: 0.6449 (pt0) cc_final: 0.5676 (pt0) REVERT: M 205 GLU cc_start: 0.7970 (pt0) cc_final: 0.7134 (pt0) REVERT: M 208 TYR cc_start: 0.7272 (m-80) cc_final: 0.6809 (m-80) REVERT: M 214 THR cc_start: 0.7519 (p) cc_final: 0.7304 (p) REVERT: M 216 LYS cc_start: 0.8702 (ptpp) cc_final: 0.8370 (ptpp) REVERT: M 225 LEU cc_start: 0.8664 (mt) cc_final: 0.8460 (mt) REVERT: M 233 MET cc_start: 0.8261 (mtp) cc_final: 0.8027 (mtp) REVERT: M 257 MET cc_start: 0.7985 (mmm) cc_final: 0.7353 (mmm) REVERT: M 260 PHE cc_start: 0.8204 (m-10) cc_final: 0.7987 (m-10) REVERT: M 267 MET cc_start: 0.7689 (mtp) cc_final: 0.7413 (mtp) REVERT: M 273 LEU cc_start: 0.8569 (mt) cc_final: 0.8215 (mt) REVERT: M 276 ARG cc_start: 0.7939 (tmt170) cc_final: 0.7497 (tmt170) REVERT: M 290 THR cc_start: 0.8504 (m) cc_final: 0.7954 (p) REVERT: M 294 PHE cc_start: 0.7458 (m-10) cc_final: 0.6589 (m-10) REVERT: M 298 ASN cc_start: 0.8809 (t0) cc_final: 0.8376 (t0) REVERT: M 300 MET cc_start: 0.7756 (mtm) cc_final: 0.7201 (mtm) REVERT: M 323 MET cc_start: 0.7977 (mmp) cc_final: 0.7524 (mmp) REVERT: M 324 LYS cc_start: 0.8300 (ttpt) cc_final: 0.7566 (ttpt) REVERT: M 325 GLU cc_start: 0.8546 (pt0) cc_final: 0.7763 (pt0) REVERT: M 327 ASP cc_start: 0.8733 (m-30) cc_final: 0.8353 (m-30) REVERT: M 330 MET cc_start: 0.8244 (mmp) cc_final: 0.8015 (mmp) REVERT: M 337 ASN cc_start: 0.8103 (m110) cc_final: 0.7575 (t0) REVERT: M 345 ILE cc_start: 0.8782 (tp) cc_final: 0.8194 (tp) REVERT: M 349 VAL cc_start: 0.7709 (p) cc_final: 0.7495 (m) REVERT: M 359 ARG cc_start: 0.7378 (ttm-80) cc_final: 0.6903 (ttm-80) REVERT: M 362 LYS cc_start: 0.8247 (mmmt) cc_final: 0.7815 (mmmt) REVERT: M 375 GLN cc_start: 0.7804 (pt0) cc_final: 0.7333 (pt0) REVERT: M 379 LYS cc_start: 0.8404 (mmtm) cc_final: 0.7627 (mmtm) REVERT: M 392 LYS cc_start: 0.8337 (mtmm) cc_final: 0.7897 (mtmm) REVERT: M 397 TRP cc_start: 0.7715 (m100) cc_final: 0.7202 (m100) REVERT: M 408 PHE cc_start: 0.8763 (m-10) cc_final: 0.8390 (m-80) REVERT: M 410 GLU cc_start: 0.7802 (mt-10) cc_final: 0.7574 (mt-10) REVERT: M 415 MET cc_start: 0.7588 (tpt) cc_final: 0.7167 (tpt) REVERT: M 424 GLN cc_start: 0.8329 (tm-30) cc_final: 0.8047 (tm-30) REVERT: M 425 TYR cc_start: 0.8155 (m-80) cc_final: 0.7888 (m-80) REVERT: V 12 MET cc_start: 0.6766 (mpp) cc_final: 0.6366 (mpp) REVERT: V 19 ASN cc_start: 0.5405 (p0) cc_final: 0.4598 (p0) REVERT: V 28 LYS cc_start: 0.7059 (mmmm) cc_final: 0.6572 (mmmm) REVERT: V 60 GLN cc_start: 0.7532 (mt0) cc_final: 0.7307 (mt0) REVERT: V 93 HIS cc_start: 0.8289 (t-170) cc_final: 0.7605 (t-170) REVERT: V 180 MET cc_start: 0.7578 (mpp) cc_final: 0.7272 (mmt) REVERT: V 220 GLU cc_start: 0.6158 (mm-30) cc_final: 0.5713 (mm-30) REVERT: V 252 LYS cc_start: 0.7780 (mttt) cc_final: 0.7453 (mttt) REVERT: V 256 LYS cc_start: 0.7045 (tptm) cc_final: 0.6762 (tptm) REVERT: V 282 MET cc_start: 0.7182 (tpt) cc_final: 0.6911 (tpt) REVERT: V 284 ARG cc_start: 0.8558 (mtp85) cc_final: 0.7863 (mtp85) REVERT: V 311 GLU cc_start: 0.8190 (pm20) cc_final: 0.7979 (pm20) REVERT: E 2 ARG cc_start: 0.6776 (ptt-90) cc_final: 0.6186 (ptt-90) REVERT: E 11 GLN cc_start: 0.7498 (tt0) cc_final: 0.6673 (tm-30) REVERT: E 16 MET cc_start: 0.8359 (mtm) cc_final: 0.7354 (mtm) REVERT: E 23 LEU cc_start: 0.8401 (tp) cc_final: 0.7007 (tp) REVERT: E 27 GLU cc_start: 0.8190 (mt-10) cc_final: 0.7444 (mt-10) REVERT: E 31 GLN cc_start: 0.7820 (mt0) cc_final: 0.7498 (mt0) REVERT: E 60 CYS cc_start: 0.6375 (t) cc_final: 0.6074 (t) REVERT: E 67 HIS cc_start: 0.6921 (m90) cc_final: 0.6635 (m90) REVERT: E 125 LEU cc_start: 0.8291 (mm) cc_final: 0.8044 (mm) REVERT: E 134 GLN cc_start: 0.8824 (pp30) cc_final: 0.8601 (pp30) REVERT: E 160 MET cc_start: 0.7647 (tmm) cc_final: 0.7268 (tmm) REVERT: E 161 GLU cc_start: 0.7892 (tt0) cc_final: 0.7427 (tt0) REVERT: E 169 LYS cc_start: 0.8935 (pptt) cc_final: 0.8468 (pptt) REVERT: E 170 LYS cc_start: 0.8861 (mmmm) cc_final: 0.8067 (mppt) REVERT: E 189 GLU cc_start: 0.8426 (mt-10) cc_final: 0.7751 (mt-10) REVERT: E 193 SER cc_start: 0.8485 (p) cc_final: 0.8241 (p) REVERT: E 232 ASN cc_start: 0.9007 (m110) cc_final: 0.7533 (m-40) REVERT: E 235 ARG cc_start: 0.8721 (mtt-85) cc_final: 0.8013 (mtt-85) REVERT: E 261 PHE cc_start: 0.8524 (m-80) cc_final: 0.8054 (m-80) REVERT: E 272 HIS cc_start: 0.6800 (p90) cc_final: 0.6378 (p90) REVERT: E 286 LYS cc_start: 0.8020 (ttmm) cc_final: 0.7698 (ttmm) REVERT: E 312 ASP cc_start: 0.7970 (t0) cc_final: 0.7129 (t70) REVERT: E 315 HIS cc_start: 0.7232 (m90) cc_final: 0.6397 (m90) REVERT: E 319 MET cc_start: 0.6716 (mmm) cc_final: 0.5930 (mmm) REVERT: E 324 LEU cc_start: 0.8508 (mp) cc_final: 0.8197 (mp) REVERT: E 401 PHE cc_start: 0.8516 (t80) cc_final: 0.7787 (t80) REVERT: E 402 ASP cc_start: 0.8299 (m-30) cc_final: 0.7875 (m-30) REVERT: E 403 LEU cc_start: 0.8556 (mt) cc_final: 0.8311 (mt) REVERT: E 408 ARG cc_start: 0.7727 (mmt-90) cc_final: 0.7150 (mmm160) REVERT: E 421 GLU cc_start: 0.7905 (tp30) cc_final: 0.7061 (tp30) REVERT: E 426 GLU cc_start: 0.8133 (mm-30) cc_final: 0.7610 (mm-30) REVERT: E 431 MET cc_start: 0.8309 (mmp) cc_final: 0.7757 (mmp) REVERT: E 438 TYR cc_start: 0.7242 (m-80) cc_final: 0.6897 (m-80) REVERT: E 440 GLU cc_start: 0.7155 (tm-30) cc_final: 0.6624 (tm-30) REVERT: N 3 GLU cc_start: 0.7352 (mp0) cc_final: 0.6490 (mp0) REVERT: N 23 VAL cc_start: 0.8607 (p) cc_final: 0.8190 (p) REVERT: N 24 ILE cc_start: 0.8672 (pt) cc_final: 0.8015 (pt) REVERT: N 27 GLU cc_start: 0.8120 (mt-10) cc_final: 0.7700 (mt-10) REVERT: N 46 ARG cc_start: 0.7934 (mmt180) cc_final: 0.7099 (tpp80) REVERT: N 48 ASN cc_start: 0.7878 (p0) cc_final: 0.7600 (p0) REVERT: N 62 ARG cc_start: 0.7126 (ttm110) cc_final: 0.6689 (ttm110) REVERT: N 73 MET cc_start: 0.8562 (mmt) cc_final: 0.8044 (mmt) REVERT: N 74 ASP cc_start: 0.8061 (m-30) cc_final: 0.7751 (m-30) REVERT: N 77 ARG cc_start: 0.7973 (ttm110) cc_final: 0.7414 (ttm110) REVERT: N 94 GLN cc_start: 0.7748 (mt0) cc_final: 0.7546 (mt0) REVERT: N 106 TYR cc_start: 0.8424 (m-80) cc_final: 0.8150 (m-10) REVERT: N 111 GLU cc_start: 0.8199 (pp20) cc_final: 0.7906 (pp20) REVERT: N 121 ARG cc_start: 0.8798 (mtt90) cc_final: 0.8428 (ptp-170) REVERT: N 122 LYS cc_start: 0.8515 (ttpp) cc_final: 0.8002 (ttpp) REVERT: N 129 CYS cc_start: 0.8198 (m) cc_final: 0.7613 (p) REVERT: N 143 THR cc_start: 0.8678 (t) cc_final: 0.7762 (t) REVERT: N 154 LYS cc_start: 0.8308 (mmpt) cc_final: 0.8008 (mmpt) REVERT: N 164 MET cc_start: 0.5948 (mtm) cc_final: 0.5505 (mtm) REVERT: N 170 MET cc_start: 0.8148 (mpp) cc_final: 0.7944 (mpp) REVERT: N 181 GLU cc_start: 0.7491 (mt-10) cc_final: 0.7249 (mt-10) REVERT: N 184 ASN cc_start: 0.8659 (p0) cc_final: 0.8168 (p0) REVERT: N 197 ASP cc_start: 0.6831 (m-30) cc_final: 0.6324 (m-30) REVERT: N 198 GLU cc_start: 0.6194 (pm20) cc_final: 0.5770 (pm20) REVERT: N 215 LEU cc_start: 0.8217 (tp) cc_final: 0.7569 (tp) REVERT: N 217 LEU cc_start: 0.8715 (mt) cc_final: 0.8068 (mt) REVERT: N 247 ASN cc_start: 0.7188 (m110) cc_final: 0.6980 (m110) REVERT: N 257 MET cc_start: 0.7440 (mtt) cc_final: 0.7083 (mtt) REVERT: N 261 PRO cc_start: 0.8262 (Cg_exo) cc_final: 0.7991 (Cg_endo) REVERT: N 262 ARG cc_start: 0.7929 (mtp85) cc_final: 0.7251 (mtt180) REVERT: N 264 HIS cc_start: 0.7763 (p-80) cc_final: 0.7358 (p-80) REVERT: N 276 ARG cc_start: 0.7819 (tmt170) cc_final: 0.7418 (tmt170) REVERT: N 290 THR cc_start: 0.8373 (m) cc_final: 0.7585 (m) REVERT: N 292 GLN cc_start: 0.8488 (tt0) cc_final: 0.7940 (tt0) REVERT: N 297 LYS cc_start: 0.8171 (mmmt) cc_final: 0.7448 (mmmt) REVERT: N 317 PHE cc_start: 0.8271 (m-80) cc_final: 0.7794 (m-10) REVERT: N 321 MET cc_start: 0.8586 (ptp) cc_final: 0.8193 (ptp) REVERT: N 326 VAL cc_start: 0.9332 (t) cc_final: 0.8736 (t) REVERT: N 327 ASP cc_start: 0.8888 (m-30) cc_final: 0.8405 (m-30) REVERT: N 328 GLU cc_start: 0.7264 (pp20) cc_final: 0.7000 (pp20) REVERT: N 330 MET cc_start: 0.8351 (mmp) cc_final: 0.8020 (mmp) REVERT: N 341 PHE cc_start: 0.8627 (m-80) cc_final: 0.8143 (m-80) REVERT: N 343 GLU cc_start: 0.7262 (pp20) cc_final: 0.6822 (pp20) REVERT: N 347 ASN cc_start: 0.7663 (t0) cc_final: 0.7402 (t0) REVERT: N 350 LYS cc_start: 0.8099 (tmtt) cc_final: 0.7625 (tmtt) REVERT: N 351 THR cc_start: 0.7854 (p) cc_final: 0.7635 (p) REVERT: N 363 MET cc_start: 0.7551 (mmm) cc_final: 0.7075 (mmm) REVERT: N 367 PHE cc_start: 0.7817 (t80) cc_final: 0.7566 (t80) REVERT: N 391 ARG cc_start: 0.7326 (ttt180) cc_final: 0.6949 (ttt180) REVERT: N 392 LYS cc_start: 0.7652 (mtmm) cc_final: 0.7093 (mmtm) REVERT: N 397 TRP cc_start: 0.7582 (m100) cc_final: 0.6400 (m100) REVERT: N 404 ASP cc_start: 0.8585 (t0) cc_final: 0.8278 (t0) REVERT: N 406 MET cc_start: 0.8645 (mmp) cc_final: 0.8250 (mmp) REVERT: N 407 GLU cc_start: 0.8553 (mt-10) cc_final: 0.8037 (mt-10) REVERT: N 414 ASN cc_start: 0.8253 (m-40) cc_final: 0.7974 (m-40) REVERT: N 415 MET cc_start: 0.8525 (tpt) cc_final: 0.7752 (tpp) REVERT: W 10 LYS cc_start: 0.7184 (mttt) cc_final: 0.6857 (mttt) REVERT: W 28 LYS cc_start: 0.7817 (tmtt) cc_final: 0.7418 (ttpp) REVERT: W 32 LYS cc_start: 0.8762 (mmmt) cc_final: 0.8400 (mmmt) REVERT: W 44 LYS cc_start: 0.7192 (tmtt) cc_final: 0.6921 (tmtt) REVERT: W 80 THR cc_start: 0.6845 (m) cc_final: 0.6624 (m) REVERT: W 95 MET cc_start: 0.7262 (mtt) cc_final: 0.6775 (mtt) REVERT: W 103 GLU cc_start: 0.8051 (tp30) cc_final: 0.7518 (tp30) REVERT: W 171 ARG cc_start: 0.7085 (mtt180) cc_final: 0.6520 (mtt180) REVERT: W 211 ASN cc_start: 0.6941 (m110) cc_final: 0.6449 (m110) REVERT: W 220 GLU cc_start: 0.5560 (mm-30) cc_final: 0.5158 (mm-30) REVERT: W 240 LYS cc_start: 0.8438 (tttp) cc_final: 0.8219 (tttp) REVERT: W 255 ASN cc_start: 0.8056 (m110) cc_final: 0.7716 (m110) REVERT: W 268 LEU cc_start: 0.8270 (mt) cc_final: 0.8058 (mt) REVERT: W 282 MET cc_start: 0.8177 (tpt) cc_final: 0.7959 (tpt) REVERT: W 295 ARG cc_start: 0.4937 (mmm160) cc_final: 0.4471 (tpt-90) REVERT: F 5 ILE cc_start: 0.7436 (pt) cc_final: 0.7200 (pt) REVERT: F 18 ASN cc_start: 0.8939 (t0) cc_final: 0.8713 (t0) REVERT: F 22 GLU cc_start: 0.8272 (pt0) cc_final: 0.8060 (pt0) REVERT: F 30 ILE cc_start: 0.7303 (mt) cc_final: 0.7017 (pt) REVERT: F 79 THR cc_start: 0.7730 (p) cc_final: 0.7422 (p) REVERT: F 96 GLU cc_start: 0.7693 (tt0) cc_final: 0.7217 (tt0) REVERT: F 97 GLN cc_start: 0.7515 (mm110) cc_final: 0.7286 (mm-40) REVERT: F 116 ILE cc_start: 0.8234 (mm) cc_final: 0.7122 (mm) REVERT: F 119 GLU cc_start: 0.8118 (pp20) cc_final: 0.7794 (pp20) REVERT: F 120 ILE cc_start: 0.8316 (tp) cc_final: 0.8041 (tp) REVERT: F 122 ASP cc_start: 0.8413 (m-30) cc_final: 0.8208 (m-30) REVERT: F 131 LEU cc_start: 0.8188 (tp) cc_final: 0.7978 (tp) REVERT: F 160 MET cc_start: 0.7670 (tmm) cc_final: 0.6378 (tmm) REVERT: F 172 LYS cc_start: 0.8137 (ptpp) cc_final: 0.7581 (ptmt) REVERT: F 183 VAL cc_start: 0.7400 (t) cc_final: 0.6904 (p) REVERT: F 192 ASN cc_start: 0.8281 (m-40) cc_final: 0.7826 (t0) REVERT: F 206 CYS cc_start: 0.7736 (p) cc_final: 0.6914 (p) REVERT: F 212 ASN cc_start: 0.8388 (m110) cc_final: 0.8091 (m110) REVERT: F 216 TYR cc_start: 0.8080 (m-80) cc_final: 0.7749 (m-80) REVERT: F 221 ARG cc_start: 0.8160 (ttp-110) cc_final: 0.7829 (ttm-80) REVERT: F 230 TYR cc_start: 0.7435 (m-80) cc_final: 0.6722 (m-80) REVERT: F 231 THR cc_start: 0.7983 (t) cc_final: 0.7636 (m) REVERT: F 277 THR cc_start: 0.7630 (t) cc_final: 0.6557 (m) REVERT: F 286 LYS cc_start: 0.8329 (mttm) cc_final: 0.8035 (mtpp) REVERT: F 306 ASN cc_start: 0.8108 (m-40) cc_final: 0.7744 (m110) REVERT: F 312 ASP cc_start: 0.7179 (p0) cc_final: 0.6900 (p0) REVERT: F 315 HIS cc_start: 0.7921 (m90) cc_final: 0.7702 (m90) REVERT: F 321 CYS cc_start: 0.8462 (t) cc_final: 0.7614 (t) REVERT: F 322 CYS cc_start: 0.7188 (t) cc_final: 0.6708 (t) REVERT: F 342 LYS cc_start: 0.8288 (mttt) cc_final: 0.7796 (mttt) REVERT: F 355 THR cc_start: 0.7789 (p) cc_final: 0.7190 (p) REVERT: F 358 LYS cc_start: 0.7419 (tptp) cc_final: 0.7202 (tptp) REVERT: F 383 MET cc_start: 0.7286 (ttm) cc_final: 0.6724 (tmm) REVERT: F 410 PHE cc_start: 0.8475 (m-80) cc_final: 0.8110 (m-80) REVERT: F 412 HIS cc_start: 0.8408 (p90) cc_final: 0.7507 (p90) REVERT: F 423 GLU cc_start: 0.8610 (pp20) cc_final: 0.7979 (pp20) REVERT: O 7 ILE cc_start: 0.7260 (tp) cc_final: 0.7059 (tp) REVERT: O 27 GLU cc_start: 0.8613 (mt-10) cc_final: 0.8227 (tt0) REVERT: O 62 ARG cc_start: 0.6115 (mtm-85) cc_final: 0.5706 (mtm-85) REVERT: O 68 LEU cc_start: 0.7939 (tp) cc_final: 0.7583 (tp) REVERT: O 73 MET cc_start: 0.8078 (mmt) cc_final: 0.7876 (mmt) REVERT: O 74 ASP cc_start: 0.8110 (m-30) cc_final: 0.7810 (m-30) REVERT: O 83 GLN cc_start: 0.7911 (mm-40) cc_final: 0.7657 (mm110) REVERT: O 89 ASN cc_start: 0.8726 (m110) cc_final: 0.8366 (m110) REVERT: O 90 PHE cc_start: 0.8667 (m-80) cc_final: 0.7774 (m-80) REVERT: O 123 GLU cc_start: 0.9200 (mm-30) cc_final: 0.8511 (mm-30) REVERT: O 151 LEU cc_start: 0.8618 (pp) cc_final: 0.8283 (pp) REVERT: O 164 MET cc_start: 0.7712 (mtp) cc_final: 0.6470 (mtp) REVERT: O 165 ASN cc_start: 0.7156 (t0) cc_final: 0.6208 (t0) REVERT: O 181 GLU cc_start: 0.7757 (mt-10) cc_final: 0.7097 (mt-10) REVERT: O 192 LEU cc_start: 0.8487 (mt) cc_final: 0.8192 (mt) REVERT: O 195 ASN cc_start: 0.7259 (m-40) cc_final: 0.6508 (m-40) REVERT: O 198 GLU cc_start: 0.7324 (pt0) cc_final: 0.7104 (pt0) REVERT: O 200 TYR cc_start: 0.7334 (m-80) cc_final: 0.6887 (m-80) REVERT: O 209 ASP cc_start: 0.8034 (t70) cc_final: 0.7799 (t70) REVERT: O 213 ARG cc_start: 0.8498 (mtm180) cc_final: 0.8294 (mtm-85) REVERT: O 233 MET cc_start: 0.8342 (ttp) cc_final: 0.7987 (ttp) REVERT: O 256 ASN cc_start: 0.7998 (m-40) cc_final: 0.7753 (m-40) REVERT: O 262 ARG cc_start: 0.8451 (mmm160) cc_final: 0.8138 (mmm-85) REVERT: O 267 MET cc_start: 0.6549 (ttm) cc_final: 0.5512 (ttm) REVERT: O 276 ARG cc_start: 0.8173 (tmt170) cc_final: 0.7930 (tmt170) REVERT: O 294 PHE cc_start: 0.8028 (m-10) cc_final: 0.6966 (m-80) REVERT: O 311 LEU cc_start: 0.6975 (mt) cc_final: 0.6619 (mt) REVERT: O 320 ARG cc_start: 0.6937 (tpt90) cc_final: 0.6385 (tpt90) REVERT: O 323 MET cc_start: 0.8184 (mmp) cc_final: 0.6033 (mmp) REVERT: O 327 ASP cc_start: 0.8689 (m-30) cc_final: 0.8242 (m-30) REVERT: O 329 GLN cc_start: 0.8226 (mm-40) cc_final: 0.7671 (mm110) REVERT: O 345 ILE cc_start: 0.8430 (tp) cc_final: 0.8221 (tp) REVERT: O 362 LYS cc_start: 0.8314 (mmmt) cc_final: 0.7572 (mmmt) REVERT: O 367 PHE cc_start: 0.8015 (t80) cc_final: 0.7518 (t80) REVERT: O 375 GLN cc_start: 0.7846 (pp30) cc_final: 0.7432 (pp30) REVERT: O 392 LYS cc_start: 0.8600 (mtmm) cc_final: 0.8306 (mtmm) REVERT: O 421 GLU cc_start: 0.7336 (tt0) cc_final: 0.6914 (tt0) REVERT: X 52 PHE cc_start: 0.5709 (m-80) cc_final: 0.5037 (m-80) REVERT: X 61 VAL cc_start: 0.7535 (t) cc_final: 0.7301 (t) REVERT: X 321 ARG cc_start: 0.7389 (mtm180) cc_final: 0.7033 (mtm180) REVERT: G 83 GLU cc_start: 0.8355 (tm-30) cc_final: 0.7767 (tm-30) REVERT: G 84 ILE cc_start: 0.9070 (mt) cc_final: 0.8716 (mt) REVERT: G 97 GLN cc_start: 0.7627 (mm110) cc_final: 0.7404 (mm110) REVERT: G 99 ILE cc_start: 0.7949 (mm) cc_final: 0.7688 (mm) REVERT: G 119 GLU cc_start: 0.7644 (pp20) cc_final: 0.7055 (pp20) REVERT: G 127 ARG cc_start: 0.7927 (tpt170) cc_final: 0.7433 (tpt-90) REVERT: G 134 GLN cc_start: 0.8509 (tm-30) cc_final: 0.8214 (tp40) REVERT: G 167 TYR cc_start: 0.7828 (m-10) cc_final: 0.7403 (m-10) REVERT: G 169 LYS cc_start: 0.8603 (ptpp) cc_final: 0.8402 (ptpp) REVERT: G 172 LYS cc_start: 0.7469 (mtmm) cc_final: 0.7041 (mtmm) REVERT: G 192 ASN cc_start: 0.8764 (m-40) cc_final: 0.8340 (m-40) REVERT: G 199 THR cc_start: 0.8232 (p) cc_final: 0.7783 (p) REVERT: G 212 ASN cc_start: 0.8530 (m-40) cc_final: 0.8298 (m-40) REVERT: G 230 TYR cc_start: 0.7240 (m-80) cc_final: 0.5757 (m-80) REVERT: G 240 ILE cc_start: 0.8163 (mt) cc_final: 0.7941 (mt) REVERT: G 264 ASN cc_start: 0.8183 (m-40) cc_final: 0.7791 (m-40) REVERT: G 275 LEU cc_start: 0.7576 (pp) cc_final: 0.7032 (mt) REVERT: G 299 ASN cc_start: 0.8678 (m110) cc_final: 0.8424 (m110) REVERT: G 303 GLU cc_start: 0.7948 (tm-30) cc_final: 0.7664 (tm-30) REVERT: G 309 VAL cc_start: 0.8492 (p) cc_final: 0.7713 (m) REVERT: G 310 LYS cc_start: 0.8500 (mmmt) cc_final: 0.7587 (mmmt) REVERT: G 311 CYS cc_start: 0.8735 (m) cc_final: 0.8462 (m) REVERT: G 312 ASP cc_start: 0.8174 (t0) cc_final: 0.7436 (t0) REVERT: G 315 HIS cc_start: 0.8570 (m90) cc_final: 0.7922 (m-70) REVERT: G 317 LYS cc_start: 0.7795 (mttm) cc_final: 0.7514 (mttt) REVERT: G 321 CYS cc_start: 0.7989 (t) cc_final: 0.7284 (t) REVERT: G 322 CYS cc_start: 0.6801 (t) cc_final: 0.5673 (t) REVERT: G 345 ARG cc_start: 0.7992 (mmm160) cc_final: 0.7159 (tpp-160) REVERT: G 347 ILE cc_start: 0.7920 (pt) cc_final: 0.7639 (pt) REVERT: G 348 GLN cc_start: 0.8172 (pt0) cc_final: 0.7765 (mp10) REVERT: G 357 PHE cc_start: 0.7891 (m-80) cc_final: 0.7643 (m-10) REVERT: G 363 TYR cc_start: 0.7352 (m-80) cc_final: 0.6889 (m-80) REVERT: G 369 VAL cc_start: 0.8472 (t) cc_final: 0.8262 (t) REVERT: G 378 GLN cc_start: 0.8418 (mm110) cc_final: 0.7964 (mm110) REVERT: G 379 ARG cc_start: 0.8378 (mtm180) cc_final: 0.7237 (mtm180) REVERT: G 382 CYS cc_start: 0.7428 (p) cc_final: 0.7109 (p) REVERT: G 383 MET cc_start: 0.7411 (mmm) cc_final: 0.7087 (tpp) REVERT: G 386 ASN cc_start: 0.7429 (t0) cc_final: 0.7152 (t0) REVERT: G 390 ILE cc_start: 0.7950 (tp) cc_final: 0.7712 (tp) REVERT: G 397 LEU cc_start: 0.8418 (mt) cc_final: 0.8212 (mt) REVERT: G 400 LYS cc_start: 0.8294 (mtmm) cc_final: 0.8033 (mtmm) REVERT: G 404 MET cc_start: 0.8908 (mtm) cc_final: 0.8590 (mtt) REVERT: G 407 LYS cc_start: 0.8495 (mmmt) cc_final: 0.7972 (mttp) REVERT: G 423 GLU cc_start: 0.7910 (pm20) cc_final: 0.7475 (pm20) REVERT: G 424 PHE cc_start: 0.8687 (m-10) cc_final: 0.8369 (m-10) REVERT: G 426 GLU cc_start: 0.7936 (mm-30) cc_final: 0.7074 (mm-30) REVERT: G 428 ARG cc_start: 0.7680 (tpt90) cc_final: 0.7247 (tpt90) REVERT: G 440 GLU cc_start: 0.8021 (mt-10) cc_final: 0.7507 (mt-10) REVERT: P 11 GLN cc_start: 0.7499 (tt0) cc_final: 0.6917 (tm-30) REVERT: P 47 ILE cc_start: 0.8439 (tt) cc_final: 0.8177 (tt) REVERT: P 58 LYS cc_start: 0.7749 (ttmt) cc_final: 0.7523 (ttmt) REVERT: P 59 TYR cc_start: 0.7765 (m-80) cc_final: 0.7394 (m-80) REVERT: P 73 MET cc_start: 0.8285 (mmt) cc_final: 0.7750 (mmt) REVERT: P 74 ASP cc_start: 0.8375 (m-30) cc_final: 0.8074 (m-30) REVERT: P 84 ILE cc_start: 0.7973 (tt) cc_final: 0.7696 (tt) REVERT: P 99 ASN cc_start: 0.7986 (m-40) cc_final: 0.7629 (m110) REVERT: P 116 VAL cc_start: 0.8691 (m) cc_final: 0.8372 (t) REVERT: P 122 LYS cc_start: 0.8188 (tttm) cc_final: 0.7867 (tttm) REVERT: P 123 GLU cc_start: 0.8800 (mm-30) cc_final: 0.8217 (mm-30) REVERT: P 147 MET cc_start: 0.7588 (tmm) cc_final: 0.7114 (tmm) REVERT: P 154 LYS cc_start: 0.8010 (mmmt) cc_final: 0.7565 (mmmt) REVERT: P 158 GLU cc_start: 0.7828 (tt0) cc_final: 0.7185 (tt0) REVERT: P 159 TYR cc_start: 0.8120 (m-10) cc_final: 0.7837 (m-80) REVERT: P 164 MET cc_start: 0.7412 (mpp) cc_final: 0.7032 (mpp) REVERT: P 167 PHE cc_start: 0.7892 (m-80) cc_final: 0.7617 (m-80) REVERT: P 179 VAL cc_start: 0.8046 (t) cc_final: 0.7782 (t) REVERT: P 184 ASN cc_start: 0.8032 (m-40) cc_final: 0.7537 (t0) REVERT: P 194 GLU cc_start: 0.8142 (mp0) cc_final: 0.7696 (mp0) REVERT: P 199 THR cc_start: 0.7790 (m) cc_final: 0.7237 (t) REVERT: P 202 ILE cc_start: 0.6161 (mt) cc_final: 0.5576 (mt) REVERT: P 216 LYS cc_start: 0.8822 (ptpt) cc_final: 0.8352 (ptpt) REVERT: P 224 ASP cc_start: 0.8066 (m-30) cc_final: 0.7702 (m-30) REVERT: P 251 ARG cc_start: 0.8406 (tpp80) cc_final: 0.8124 (tpp80) REVERT: P 256 ASN cc_start: 0.8958 (m-40) cc_final: 0.8435 (m110) REVERT: P 262 ARG cc_start: 0.8385 (mtp85) cc_final: 0.7802 (mtt180) REVERT: P 264 HIS cc_start: 0.7701 (p-80) cc_final: 0.7045 (p-80) REVERT: P 289 LEU cc_start: 0.8447 (mt) cc_final: 0.8163 (mt) REVERT: P 293 MET cc_start: 0.7464 (tmm) cc_final: 0.7228 (tmm) REVERT: P 300 MET cc_start: 0.7312 (mtm) cc_final: 0.6840 (mtt) REVERT: P 320 ARG cc_start: 0.7312 (mmm160) cc_final: 0.7064 (mmm160) REVERT: P 323 MET cc_start: 0.7694 (mmp) cc_final: 0.6325 (mmt) REVERT: P 327 ASP cc_start: 0.8578 (m-30) cc_final: 0.8145 (m-30) REVERT: P 330 MET cc_start: 0.8519 (mmp) cc_final: 0.7686 (mmp) REVERT: P 334 GLN cc_start: 0.8546 (pt0) cc_final: 0.7756 (pt0) REVERT: P 343 GLU cc_start: 0.7668 (pp20) cc_final: 0.7194 (pp20) REVERT: P 344 TRP cc_start: 0.7402 (p-90) cc_final: 0.6366 (p-90) REVERT: P 345 ILE cc_start: 0.8982 (tp) cc_final: 0.8642 (tp) REVERT: P 362 LYS cc_start: 0.7629 (mmmt) cc_final: 0.6493 (mmmt) REVERT: P 363 MET cc_start: 0.7547 (mmm) cc_final: 0.7106 (mmm) REVERT: P 364 SER cc_start: 0.7557 (m) cc_final: 0.7144 (p) REVERT: P 374 ILE cc_start: 0.8121 (tp) cc_final: 0.7905 (tp) REVERT: P 375 GLN cc_start: 0.7888 (pt0) cc_final: 0.7165 (pt0) REVERT: P 379 LYS cc_start: 0.8690 (mmtp) cc_final: 0.8163 (mmtp) REVERT: P 388 MET cc_start: 0.8165 (mtp) cc_final: 0.7535 (tpp) REVERT: P 392 LYS cc_start: 0.8016 (mtmm) cc_final: 0.7433 (mtmm) REVERT: P 395 LEU cc_start: 0.8365 (mt) cc_final: 0.7907 (mt) REVERT: P 397 TRP cc_start: 0.7090 (m100) cc_final: 0.6401 (m-10) REVERT: P 404 ASP cc_start: 0.7817 (t0) cc_final: 0.7561 (t0) REVERT: P 407 GLU cc_start: 0.8271 (mt-10) cc_final: 0.7761 (mt-10) REVERT: P 414 ASN cc_start: 0.8587 (m-40) cc_final: 0.8021 (m-40) REVERT: P 423 GLN cc_start: 0.8014 (tp40) cc_final: 0.7697 (tp-100) REVERT: Z 32 LYS cc_start: 0.6940 (mmmt) cc_final: 0.6251 (mmtp) REVERT: Z 60 GLN cc_start: 0.7906 (mt0) cc_final: 0.7410 (tm-30) REVERT: Z 63 ASN cc_start: 0.6987 (p0) cc_final: 0.6559 (p0) REVERT: Z 178 GLU cc_start: 0.7893 (mt-10) cc_final: 0.7447 (mt-10) REVERT: Z 180 MET cc_start: 0.6102 (mmm) cc_final: 0.5612 (mpp) REVERT: Z 197 MET cc_start: 0.6611 (pmm) cc_final: 0.6070 (pmm) REVERT: Z 274 TYR cc_start: 0.6391 (t80) cc_final: 0.5628 (t80) REVERT: Z 282 MET cc_start: 0.7504 (tpt) cc_final: 0.7212 (tpt) REVERT: Z 311 GLU cc_start: 0.8537 (mp0) cc_final: 0.8034 (mp0) REVERT: H 11 GLN cc_start: 0.7736 (tp-100) cc_final: 0.7222 (tp-100) REVERT: H 16 MET cc_start: 0.8096 (mtm) cc_final: 0.6967 (mmp) REVERT: H 21 TRP cc_start: 0.8315 (m100) cc_final: 0.7763 (m100) REVERT: H 22 GLU cc_start: 0.7428 (pt0) cc_final: 0.7209 (pt0) REVERT: H 23 LEU cc_start: 0.8261 (tp) cc_final: 0.7696 (tp) REVERT: H 27 GLU cc_start: 0.7633 (mt-10) cc_final: 0.7383 (mt-10) REVERT: H 31 GLN cc_start: 0.7847 (mt0) cc_final: 0.7249 (mt0) REVERT: H 75 ASP cc_start: 0.6806 (t0) cc_final: 0.5850 (t0) REVERT: H 77 GLU cc_start: 0.5624 (pp20) cc_final: 0.4298 (pp20) REVERT: H 83 GLU cc_start: 0.7937 (tm-30) cc_final: 0.7601 (tm-30) REVERT: H 84 ILE cc_start: 0.8933 (mt) cc_final: 0.8611 (mt) REVERT: H 96 GLU cc_start: 0.7366 (tt0) cc_final: 0.6610 (tt0) REVERT: H 120 ILE cc_start: 0.8464 (tp) cc_final: 0.8209 (tp) REVERT: H 125 LEU cc_start: 0.8272 (mm) cc_final: 0.7727 (mm) REVERT: H 160 MET cc_start: 0.7388 (tmm) cc_final: 0.7119 (tmm) REVERT: H 162 ARG cc_start: 0.8336 (mmm160) cc_final: 0.7660 (mmm160) REVERT: H 169 LYS cc_start: 0.8536 (ptpp) cc_final: 0.8259 (ptmm) REVERT: H 172 LYS cc_start: 0.6916 (mtpt) cc_final: 0.5924 (ttpt) REVERT: H 174 GLU cc_start: 0.6839 (mp0) cc_final: 0.6090 (mp0) REVERT: H 203 HIS cc_start: 0.7834 (m90) cc_final: 0.7431 (m-70) REVERT: H 208 PHE cc_start: 0.7432 (m-80) cc_final: 0.6922 (m-80) REVERT: H 211 ASP cc_start: 0.7320 (t0) cc_final: 0.6744 (t0) REVERT: H 213 GLU cc_start: 0.8239 (pt0) cc_final: 0.6912 (pt0) REVERT: H 232 ASN cc_start: 0.8745 (m110) cc_final: 0.7457 (m110) REVERT: H 235 ARG cc_start: 0.8314 (mtt-85) cc_final: 0.7753 (mtt-85) REVERT: H 257 ASP cc_start: 0.7257 (p0) cc_final: 0.6807 (p0) REVERT: H 260 GLU cc_start: 0.7470 (mm-30) cc_final: 0.7253 (mm-30) REVERT: H 286 LYS cc_start: 0.8222 (tttt) cc_final: 0.7816 (ttmm) REVERT: H 291 GLN cc_start: 0.8066 (tp40) cc_final: 0.7701 (tm-30) REVERT: H 308 MET cc_start: 0.7063 (mpp) cc_final: 0.6735 (mmt) REVERT: H 312 ASP cc_start: 0.8276 (t0) cc_final: 0.7916 (t0) REVERT: H 317 LYS cc_start: 0.7998 (mttm) cc_final: 0.6832 (mttp) REVERT: H 319 MET cc_start: 0.6403 (mmm) cc_final: 0.5874 (mmm) REVERT: H 330 VAL cc_start: 0.8700 (t) cc_final: 0.8276 (p) REVERT: H 332 LYS cc_start: 0.6929 (mtmt) cc_final: 0.6014 (mptt) REVERT: H 338 ILE cc_start: 0.8503 (pt) cc_final: 0.7815 (pt) REVERT: H 342 LYS cc_start: 0.8436 (mttt) cc_final: 0.7830 (mttt) REVERT: H 401 PHE cc_start: 0.8450 (t80) cc_final: 0.7749 (t80) REVERT: H 405 TYR cc_start: 0.7790 (t80) cc_final: 0.7414 (t80) REVERT: H 407 LYS cc_start: 0.8968 (mmmt) cc_final: 0.8482 (mmmt) REVERT: H 421 GLU cc_start: 0.5854 (tp30) cc_final: 0.5508 (tp30) REVERT: H 430 ASP cc_start: 0.8265 (t0) cc_final: 0.7910 (t0) REVERT: H 431 MET cc_start: 0.8072 (mmp) cc_final: 0.7854 (mmp) REVERT: H 434 LEU cc_start: 0.8546 (pp) cc_final: 0.8192 (pp) REVERT: R 3 GLU cc_start: 0.6534 (mp0) cc_final: 0.6179 (mp0) REVERT: R 24 ILE cc_start: 0.8654 (pt) cc_final: 0.8201 (pt) REVERT: R 27 GLU cc_start: 0.8237 (mt-10) cc_final: 0.7784 (mt-10) REVERT: R 46 ARG cc_start: 0.8627 (mmp80) cc_final: 0.7662 (mmp80) REVERT: R 73 MET cc_start: 0.7902 (mmt) cc_final: 0.7376 (mmt) REVERT: R 74 ASP cc_start: 0.8338 (m-30) cc_final: 0.7985 (m-30) REVERT: R 106 TYR cc_start: 0.8439 (m-80) cc_final: 0.7390 (m-80) REVERT: R 123 GLU cc_start: 0.8512 (mm-30) cc_final: 0.7755 (mm-30) REVERT: R 128 ASP cc_start: 0.7039 (p0) cc_final: 0.6616 (p0) REVERT: R 129 CYS cc_start: 0.7054 (t) cc_final: 0.6810 (m) REVERT: R 164 MET cc_start: 0.6086 (mtp) cc_final: 0.5481 (mtp) REVERT: R 174 LYS cc_start: 0.7742 (mmtm) cc_final: 0.7107 (mmtm) REVERT: R 188 SER cc_start: 0.8527 (m) cc_final: 0.8098 (p) REVERT: R 205 GLU cc_start: 0.7752 (pt0) cc_final: 0.7053 (pt0) REVERT: R 213 ARG cc_start: 0.7206 (mtm110) cc_final: 0.6521 (mtm110) REVERT: R 216 LYS cc_start: 0.8385 (ptmt) cc_final: 0.7971 (ptmt) REVERT: R 217 LEU cc_start: 0.8006 (mm) cc_final: 0.7528 (mm) REVERT: R 224 ASP cc_start: 0.8214 (m-30) cc_final: 0.7895 (m-30) REVERT: R 232 THR cc_start: 0.8580 (p) cc_final: 0.8302 (m) REVERT: R 267 MET cc_start: 0.7277 (ttp) cc_final: 0.6891 (ttp) REVERT: R 273 LEU cc_start: 0.8139 (mt) cc_final: 0.7866 (mt) REVERT: R 281 TYR cc_start: 0.7796 (m-80) cc_final: 0.7206 (t80) REVERT: R 282 ARG cc_start: 0.7597 (ttt90) cc_final: 0.6320 (ttt90) REVERT: R 288 GLU cc_start: 0.7191 (tt0) cc_final: 0.6452 (tt0) REVERT: R 290 THR cc_start: 0.8787 (m) cc_final: 0.8467 (p) REVERT: R 293 MET cc_start: 0.7683 (mtp) cc_final: 0.7049 (mtp) REVERT: R 297 LYS cc_start: 0.8023 (mmmt) cc_final: 0.7448 (mmmt) REVERT: R 298 ASN cc_start: 0.8436 (t0) cc_final: 0.8144 (t0) REVERT: R 300 MET cc_start: 0.7781 (mtm) cc_final: 0.6914 (mtm) REVERT: R 320 ARG cc_start: 0.7482 (ttt-90) cc_final: 0.7033 (ttt-90) REVERT: R 326 VAL cc_start: 0.9114 (t) cc_final: 0.8632 (t) REVERT: R 327 ASP cc_start: 0.8954 (m-30) cc_final: 0.8622 (m-30) REVERT: R 328 GLU cc_start: 0.7392 (pp20) cc_final: 0.6746 (pp20) REVERT: R 330 MET cc_start: 0.8585 (mmp) cc_final: 0.8162 (mmp) REVERT: R 338 SER cc_start: 0.7740 (m) cc_final: 0.7393 (t) REVERT: R 339 SER cc_start: 0.8619 (p) cc_final: 0.8390 (p) REVERT: R 348 ASN cc_start: 0.8320 (m-40) cc_final: 0.7989 (m-40) REVERT: R 362 LYS cc_start: 0.8286 (mmmt) cc_final: 0.7462 (mmtm) REVERT: R 363 MET cc_start: 0.8082 (mmm) cc_final: 0.7431 (mmp) REVERT: R 367 PHE cc_start: 0.8275 (t80) cc_final: 0.7836 (t80) REVERT: R 390 ARG cc_start: 0.8369 (ttt180) cc_final: 0.8160 (ttt180) REVERT: R 392 LYS cc_start: 0.7881 (mtmm) cc_final: 0.7385 (mmtm) REVERT: R 403 MET cc_start: 0.7155 (tpp) cc_final: 0.6924 (tpp) REVERT: R 415 MET cc_start: 0.8065 (mmm) cc_final: 0.7402 (mmm) REVERT: R 418 LEU cc_start: 0.7983 (pp) cc_final: 0.7537 (pp) REVERT: a 28 LYS cc_start: 0.7141 (tptp) cc_final: 0.6862 (ttpp) REVERT: a 36 GLU cc_start: 0.7066 (mt-10) cc_final: 0.6479 (mt-10) REVERT: a 44 LYS cc_start: 0.7301 (tmtt) cc_final: 0.6794 (tmtt) REVERT: a 64 ASP cc_start: 0.7446 (p0) cc_final: 0.7138 (p0) REVERT: a 67 LYS cc_start: 0.6825 (tptt) cc_final: 0.6276 (pttm) REVERT: a 89 SER cc_start: 0.5917 (p) cc_final: 0.5554 (m) REVERT: a 95 MET cc_start: 0.7493 (mtt) cc_final: 0.7188 (mtt) REVERT: a 103 GLU cc_start: 0.7176 (tp30) cc_final: 0.6968 (tp30) REVERT: a 268 LEU cc_start: 0.8490 (mt) cc_final: 0.8236 (mt) REVERT: a 282 MET cc_start: 0.7880 (tpt) cc_final: 0.7210 (tpt) REVERT: a 310 SER cc_start: 0.8376 (t) cc_final: 0.7996 (m) REVERT: a 311 GLU cc_start: 0.8508 (pm20) cc_final: 0.8100 (pm20) outliers start: 1 outliers final: 0 residues processed: 3832 average time/residue: 0.7974 time to fit residues: 5145.8759 Evaluate side-chains 3688 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3688 time to evaluate : 6.985 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 934 optimal weight: 0.9990 chunk 615 optimal weight: 7.9990 chunk 991 optimal weight: 4.9990 chunk 605 optimal weight: 0.5980 chunk 470 optimal weight: 1.9990 chunk 689 optimal weight: 0.8980 chunk 1040 optimal weight: 0.8980 chunk 957 optimal weight: 5.9990 chunk 828 optimal weight: 0.0970 chunk 85 optimal weight: 6.9990 chunk 639 optimal weight: 8.9990 overall best weight: 0.6980 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** I 94 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 262 GLN I 348 GLN ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 375 GLN Y 211 ASN ** A 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 11 GLN J 57 ASN ** J 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 348 GLN ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 190 HIS ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 412 HIS ** L 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 195 ASN ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 348 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 63 ASN ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 28 HIS ** D 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 227 HIS ** N 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 262 GLN ** O 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 37 HIS O 99 ASN ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 347 ASN X 211 ASN ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 8 HIS G 198 HIS ** G 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 334 GLN Z 211 ASN ** Z 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 28 HIS H 262 GLN ** R 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 52 ASN ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 134 GLN R 165 ASN R 184 ASN R 204 ASN ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 58 GLN ** a 255 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6703 moved from start: 0.6594 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.048 85869 Z= 0.176 Angle : 0.639 14.777 116442 Z= 0.319 Chirality : 0.047 0.312 12780 Planarity : 0.004 0.072 15093 Dihedral : 8.875 176.627 12231 Min Nonbonded Distance : 2.053 Molprobity Statistics. All-atom Clashscore : 17.28 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.91 % Favored : 97.09 % Rotamer: Outliers : 0.03 % Allowed : 0.31 % Favored : 99.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.73 (0.08), residues: 10530 helix: -0.20 (0.08), residues: 4176 sheet: -0.36 (0.12), residues: 1854 loop : -0.65 (0.09), residues: 4500 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.038 0.002 TRP J 397 HIS 0.016 0.001 HIS D 8 PHE 0.035 0.002 PHE O 212 TYR 0.040 0.002 TYR F 438 ARG 0.018 0.001 ARG a 295 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 21060 Ramachandran restraints generated. 10530 Oldfield, 0 Emsley, 10530 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3788 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 3785 time to evaluate : 6.887 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: I 16 MET cc_start: 0.8364 (mtm) cc_final: 0.7807 (mtm) REVERT: I 23 LEU cc_start: 0.8723 (tp) cc_final: 0.8413 (tp) REVERT: I 31 GLN cc_start: 0.7468 (mt0) cc_final: 0.7153 (mt0) REVERT: I 61 GLU cc_start: 0.6399 (tm-30) cc_final: 0.6101 (tm-30) REVERT: I 72 VAL cc_start: 0.7650 (m) cc_final: 0.7228 (p) REVERT: I 83 GLU cc_start: 0.8326 (tm-30) cc_final: 0.7941 (tm-30) REVERT: I 93 PHE cc_start: 0.7351 (m-80) cc_final: 0.7055 (m-80) REVERT: I 96 GLU cc_start: 0.7430 (tt0) cc_final: 0.7063 (tt0) REVERT: I 116 ILE cc_start: 0.7431 (mm) cc_final: 0.6497 (mm) REVERT: I 119 GLU cc_start: 0.7907 (pp20) cc_final: 0.7301 (pp20) REVERT: I 127 ARG cc_start: 0.8602 (tpp80) cc_final: 0.6924 (tpt-90) REVERT: I 134 GLN cc_start: 0.8452 (tm-30) cc_final: 0.8024 (tm-30) REVERT: I 158 LEU cc_start: 0.8640 (tp) cc_final: 0.8195 (tp) REVERT: I 160 MET cc_start: 0.7650 (tmm) cc_final: 0.6521 (tmm) REVERT: I 161 GLU cc_start: 0.8116 (tt0) cc_final: 0.7759 (tm-30) REVERT: I 163 LEU cc_start: 0.8750 (pp) cc_final: 0.8251 (tt) REVERT: I 172 LYS cc_start: 0.8048 (mtmm) cc_final: 0.7358 (ttmt) REVERT: I 178 TYR cc_start: 0.6065 (m-10) cc_final: 0.5427 (m-10) REVERT: I 196 THR cc_start: 0.8404 (t) cc_final: 0.8161 (t) REVERT: I 209 MET cc_start: 0.6318 (mmt) cc_final: 0.5729 (mmt) REVERT: I 217 ASP cc_start: 0.7326 (t0) cc_final: 0.7122 (t0) REVERT: I 218 ILE cc_start: 0.8609 (mm) cc_final: 0.8376 (mm) REVERT: I 235 ARG cc_start: 0.7936 (mtt-85) cc_final: 0.7393 (mtt-85) REVERT: I 257 ASP cc_start: 0.6921 (p0) cc_final: 0.6147 (p0) REVERT: I 258 LEU cc_start: 0.8102 (mm) cc_final: 0.7826 (tp) REVERT: I 265 LEU cc_start: 0.8288 (mm) cc_final: 0.8069 (mm) REVERT: I 290 GLU cc_start: 0.7798 (tp30) cc_final: 0.7170 (mm-30) REVERT: I 303 GLU cc_start: 0.7958 (pp20) cc_final: 0.7713 (tm-30) REVERT: I 311 CYS cc_start: 0.8487 (m) cc_final: 0.8223 (m) REVERT: I 312 ASP cc_start: 0.7792 (t0) cc_final: 0.6815 (t0) REVERT: I 315 HIS cc_start: 0.7840 (m90) cc_final: 0.7009 (m90) REVERT: I 319 MET cc_start: 0.7693 (mmm) cc_final: 0.7388 (mmm) REVERT: I 344 LYS cc_start: 0.8307 (ttmm) cc_final: 0.7956 (ttmm) REVERT: I 348 GLN cc_start: 0.8674 (pt0) cc_final: 0.8159 (pt0) REVERT: I 364 GLN cc_start: 0.8497 (tp40) cc_final: 0.8165 (tp-100) REVERT: I 376 LYS cc_start: 0.8809 (tmtt) cc_final: 0.8379 (tmtt) REVERT: I 379 ARG cc_start: 0.8405 (ptp90) cc_final: 0.7260 (mtm180) REVERT: I 400 LYS cc_start: 0.8553 (ptpt) cc_final: 0.8168 (ptpp) REVERT: I 402 ASP cc_start: 0.8209 (m-30) cc_final: 0.7998 (m-30) REVERT: I 404 MET cc_start: 0.8713 (mtp) cc_final: 0.8486 (mtp) REVERT: I 421 GLU cc_start: 0.7353 (tp30) cc_final: 0.6456 (tp30) REVERT: I 423 GLU cc_start: 0.7967 (pm20) cc_final: 0.7759 (pm20) REVERT: I 437 ASP cc_start: 0.7667 (m-30) cc_final: 0.6962 (m-30) REVERT: Q 11 GLN cc_start: 0.7258 (tt0) cc_final: 0.6476 (tm-30) REVERT: Q 21 TRP cc_start: 0.8527 (m100) cc_final: 0.8278 (m100) REVERT: Q 27 GLU cc_start: 0.8251 (mt-10) cc_final: 0.7960 (mt-10) REVERT: Q 57 ASN cc_start: 0.7526 (m-40) cc_final: 0.7243 (m-40) REVERT: Q 69 GLU cc_start: 0.6326 (tm-30) cc_final: 0.5585 (tm-30) REVERT: Q 72 THR cc_start: 0.8465 (t) cc_final: 0.8056 (m) REVERT: Q 73 MET cc_start: 0.8536 (mmt) cc_final: 0.7627 (mmt) REVERT: Q 99 ASN cc_start: 0.7230 (m-40) cc_final: 0.7023 (m110) REVERT: Q 121 ARG cc_start: 0.8222 (ttm110) cc_final: 0.7522 (ptp-110) REVERT: Q 147 MET cc_start: 0.7429 (tmm) cc_final: 0.7003 (tmm) REVERT: Q 158 GLU cc_start: 0.7576 (tt0) cc_final: 0.7097 (tt0) REVERT: Q 159 TYR cc_start: 0.8090 (m-80) cc_final: 0.7302 (m-10) REVERT: Q 164 MET cc_start: 0.7128 (mtp) cc_final: 0.6117 (mtp) REVERT: Q 178 THR cc_start: 0.7464 (m) cc_final: 0.6763 (m) REVERT: Q 181 GLU cc_start: 0.7456 (mt-10) cc_final: 0.6654 (mt-10) REVERT: Q 195 ASN cc_start: 0.7350 (m-40) cc_final: 0.6806 (m-40) REVERT: Q 196 THR cc_start: 0.7814 (t) cc_final: 0.7412 (t) REVERT: Q 197 ASP cc_start: 0.6773 (m-30) cc_final: 0.6559 (m-30) REVERT: Q 198 GLU cc_start: 0.6461 (pt0) cc_final: 0.5728 (pt0) REVERT: Q 213 ARG cc_start: 0.7978 (ttm110) cc_final: 0.7578 (ttm-80) REVERT: Q 240 LEU cc_start: 0.8214 (pp) cc_final: 0.7953 (pp) REVERT: Q 247 ASN cc_start: 0.7741 (m110) cc_final: 0.7389 (m110) REVERT: Q 262 ARG cc_start: 0.8496 (mmm160) cc_final: 0.7951 (mmm-85) REVERT: Q 299 MET cc_start: 0.7901 (ttt) cc_final: 0.7661 (ttt) REVERT: Q 300 MET cc_start: 0.7483 (mtm) cc_final: 0.6844 (mtm) REVERT: Q 312 THR cc_start: 0.7768 (t) cc_final: 0.7501 (p) REVERT: Q 327 ASP cc_start: 0.8283 (m-30) cc_final: 0.7962 (m-30) REVERT: Q 330 MET cc_start: 0.7935 (mmp) cc_final: 0.7369 (mmp) REVERT: Q 331 LEU cc_start: 0.8664 (tp) cc_final: 0.8448 (tp) REVERT: Q 336 LYS cc_start: 0.8356 (mtpt) cc_final: 0.8072 (mtpp) REVERT: Q 337 ASN cc_start: 0.7312 (m-40) cc_final: 0.5669 (p0) REVERT: Q 350 LYS cc_start: 0.7619 (tptp) cc_final: 0.6946 (tptp) REVERT: Q 362 LYS cc_start: 0.7906 (mmmt) cc_final: 0.7288 (mmmt) REVERT: Q 363 MET cc_start: 0.7818 (mmm) cc_final: 0.7223 (mmp) REVERT: Q 372 THR cc_start: 0.7312 (p) cc_final: 0.6886 (p) REVERT: Q 395 LEU cc_start: 0.8388 (mt) cc_final: 0.8079 (mt) REVERT: Q 404 ASP cc_start: 0.8328 (t0) cc_final: 0.7224 (t0) REVERT: Q 407 GLU cc_start: 0.8111 (mt-10) cc_final: 0.7258 (pt0) REVERT: Q 424 GLN cc_start: 0.7782 (tt0) cc_final: 0.7478 (tt0) REVERT: Y 32 LYS cc_start: 0.7467 (tppt) cc_final: 0.6768 (mttp) REVERT: Y 49 ASP cc_start: 0.6828 (m-30) cc_final: 0.6418 (m-30) REVERT: Y 93 HIS cc_start: 0.7870 (t-90) cc_final: 0.6757 (t-90) REVERT: Y 101 ASP cc_start: 0.5915 (t70) cc_final: 0.5542 (t70) REVERT: Y 105 MET cc_start: 0.5540 (mmm) cc_final: 0.5321 (mmm) REVERT: Y 147 ASP cc_start: 0.7281 (m-30) cc_final: 0.6945 (m-30) REVERT: Y 161 ARG cc_start: 0.5927 (mmp80) cc_final: 0.5577 (mmp80) REVERT: Y 173 VAL cc_start: 0.7188 (m) cc_final: 0.6703 (m) REVERT: Y 178 GLU cc_start: 0.7664 (mt-10) cc_final: 0.7346 (mt-10) REVERT: Y 213 LYS cc_start: 0.6221 (tttp) cc_final: 0.5989 (tttp) REVERT: Y 220 GLU cc_start: 0.6139 (mm-30) cc_final: 0.5423 (mm-30) REVERT: Y 282 MET cc_start: 0.7682 (tpt) cc_final: 0.7416 (tpt) REVERT: Y 287 GLN cc_start: 0.8247 (tt0) cc_final: 0.7794 (tt0) REVERT: Y 309 GLU cc_start: 0.8450 (tp30) cc_final: 0.8196 (tp30) REVERT: A 11 GLN cc_start: 0.7137 (tt0) cc_final: 0.6552 (tm-30) REVERT: A 16 MET cc_start: 0.8150 (mtm) cc_final: 0.7392 (mtm) REVERT: A 20 CYS cc_start: 0.8453 (p) cc_final: 0.8154 (p) REVERT: A 22 GLU cc_start: 0.7188 (pt0) cc_final: 0.6616 (pt0) REVERT: A 23 LEU cc_start: 0.8465 (tp) cc_final: 0.7202 (tp) REVERT: A 24 TYR cc_start: 0.8100 (m-80) cc_final: 0.7176 (m-80) REVERT: A 27 GLU cc_start: 0.8128 (mt-10) cc_final: 0.7853 (mt-10) REVERT: A 73 PHE cc_start: 0.8103 (m-10) cc_final: 0.6845 (m-10) REVERT: A 79 THR cc_start: 0.7206 (p) cc_final: 0.6281 (p) REVERT: A 93 PHE cc_start: 0.7014 (m-80) cc_final: 0.6026 (m-80) REVERT: A 96 GLU cc_start: 0.7763 (tt0) cc_final: 0.6931 (tt0) REVERT: A 116 ILE cc_start: 0.7934 (mp) cc_final: 0.7596 (mm) REVERT: A 129 ARG cc_start: 0.8315 (mmm160) cc_final: 0.7869 (mmm160) REVERT: A 160 MET cc_start: 0.7870 (tmm) cc_final: 0.7472 (tmm) REVERT: A 161 GLU cc_start: 0.8020 (tt0) cc_final: 0.7501 (tt0) REVERT: A 163 LEU cc_start: 0.8783 (pp) cc_final: 0.8339 (tt) REVERT: A 169 LYS cc_start: 0.8396 (ptmm) cc_final: 0.8112 (ptmm) REVERT: A 170 LYS cc_start: 0.8276 (tppt) cc_final: 0.8048 (mmmm) REVERT: A 174 GLU cc_start: 0.6945 (mp0) cc_final: 0.6699 (mp0) REVERT: A 177 ILE cc_start: 0.8406 (mp) cc_final: 0.8159 (mp) REVERT: A 178 TYR cc_start: 0.6671 (m-10) cc_final: 0.6210 (m-80) REVERT: A 189 GLU cc_start: 0.8583 (pt0) cc_final: 0.7961 (pt0) REVERT: A 192 ASN cc_start: 0.8876 (m110) cc_final: 0.8478 (m110) REVERT: A 198 HIS cc_start: 0.8032 (t70) cc_final: 0.7780 (t-90) REVERT: A 203 HIS cc_start: 0.8219 (m170) cc_final: 0.7574 (m170) REVERT: A 213 GLU cc_start: 0.7541 (pt0) cc_final: 0.7306 (pt0) REVERT: A 232 ASN cc_start: 0.8468 (m110) cc_final: 0.8050 (m110) REVERT: A 235 ARG cc_start: 0.8658 (mtt-85) cc_final: 0.8052 (mtt-85) REVERT: A 260 GLU cc_start: 0.7778 (pm20) cc_final: 0.7262 (pm20) REVERT: A 261 PHE cc_start: 0.8172 (m-80) cc_final: 0.7412 (m-80) REVERT: A 309 VAL cc_start: 0.8270 (p) cc_final: 0.8026 (m) REVERT: A 317 LYS cc_start: 0.7758 (mttm) cc_final: 0.6876 (mmtp) REVERT: A 342 LYS cc_start: 0.8323 (mttt) cc_final: 0.7648 (mttt) REVERT: A 345 ARG cc_start: 0.7741 (mmm160) cc_final: 0.7174 (mmp80) REVERT: A 352 TRP cc_start: 0.5599 (m100) cc_final: 0.5156 (m100) REVERT: A 363 TYR cc_start: 0.7775 (m-80) cc_final: 0.7275 (m-10) REVERT: A 377 VAL cc_start: 0.8595 (m) cc_final: 0.8322 (p) REVERT: A 396 ARG cc_start: 0.8230 (ttp-110) cc_final: 0.7615 (ttp-110) REVERT: A 400 LYS cc_start: 0.8594 (ptpt) cc_final: 0.7983 (ptpt) REVERT: A 401 PHE cc_start: 0.8517 (t80) cc_final: 0.7882 (t80) REVERT: A 402 ASP cc_start: 0.8399 (m-30) cc_final: 0.8196 (m-30) REVERT: A 404 MET cc_start: 0.8236 (mtm) cc_final: 0.7952 (mtm) REVERT: A 405 TYR cc_start: 0.8208 (t80) cc_final: 0.7488 (t80) REVERT: A 408 ARG cc_start: 0.7881 (mmt180) cc_final: 0.7432 (mmt-90) REVERT: A 424 PHE cc_start: 0.8175 (m-10) cc_final: 0.7428 (m-10) REVERT: A 426 GLU cc_start: 0.7984 (mm-30) cc_final: 0.7453 (mm-30) REVERT: A 430 ASP cc_start: 0.8516 (t0) cc_final: 0.8107 (t0) REVERT: A 437 ASP cc_start: 0.6081 (m-30) cc_final: 0.5445 (m-30) REVERT: A 438 TYR cc_start: 0.7311 (m-10) cc_final: 0.6759 (m-10) REVERT: A 440 GLU cc_start: 0.7231 (mt-10) cc_final: 0.6929 (mt-10) REVERT: J 3 GLU cc_start: 0.6643 (mp0) cc_final: 0.6244 (mp0) REVERT: J 15 GLN cc_start: 0.8628 (mm-40) cc_final: 0.8057 (mp10) REVERT: J 22 GLU cc_start: 0.8626 (tt0) cc_final: 0.7864 (tt0) REVERT: J 24 ILE cc_start: 0.8834 (pt) cc_final: 0.8487 (pt) REVERT: J 48 ASN cc_start: 0.7984 (p0) cc_final: 0.7552 (p0) REVERT: J 62 ARG cc_start: 0.7282 (ptp-110) cc_final: 0.6330 (ptp-110) REVERT: J 64 ILE cc_start: 0.7644 (mp) cc_final: 0.7389 (mp) REVERT: J 67 ASP cc_start: 0.6884 (t70) cc_final: 0.6213 (t0) REVERT: J 73 MET cc_start: 0.8341 (mmt) cc_final: 0.7809 (mmt) REVERT: J 74 ASP cc_start: 0.7780 (m-30) cc_final: 0.7357 (m-30) REVERT: J 85 PHE cc_start: 0.7259 (m-80) cc_final: 0.6453 (m-80) REVERT: J 90 PHE cc_start: 0.7992 (m-80) cc_final: 0.7355 (m-80) REVERT: J 100 ASN cc_start: 0.8214 (t0) cc_final: 0.7646 (t0) REVERT: J 108 GLU cc_start: 0.7780 (mm-30) cc_final: 0.6967 (tp30) REVERT: J 121 ARG cc_start: 0.8545 (mtt180) cc_final: 0.7738 (ttm110) REVERT: J 122 LYS cc_start: 0.8265 (ttpp) cc_final: 0.7814 (ttpp) REVERT: J 136 THR cc_start: 0.6504 (p) cc_final: 0.6274 (p) REVERT: J 143 THR cc_start: 0.8405 (t) cc_final: 0.7631 (t) REVERT: J 155 ILE cc_start: 0.8796 (mt) cc_final: 0.8448 (tp) REVERT: J 159 TYR cc_start: 0.8143 (m-10) cc_final: 0.7372 (m-10) REVERT: J 160 PRO cc_start: 0.8828 (Cg_endo) cc_final: 0.8506 (Cg_exo) REVERT: J 164 MET cc_start: 0.8210 (pmm) cc_final: 0.7838 (pmm) REVERT: J 167 PHE cc_start: 0.6466 (m-10) cc_final: 0.5997 (m-80) REVERT: J 178 THR cc_start: 0.6551 (m) cc_final: 0.6007 (m) REVERT: J 181 GLU cc_start: 0.7489 (mt-10) cc_final: 0.6765 (mt-10) REVERT: J 186 THR cc_start: 0.8935 (p) cc_final: 0.8700 (t) REVERT: J 198 GLU cc_start: 0.6917 (pt0) cc_final: 0.6170 (pt0) REVERT: J 208 TYR cc_start: 0.7504 (m-80) cc_final: 0.7076 (m-80) REVERT: J 209 ASP cc_start: 0.7059 (t70) cc_final: 0.6742 (t0) REVERT: J 241 ARG cc_start: 0.7802 (ttp-110) cc_final: 0.7387 (ttp-110) REVERT: J 251 ARG cc_start: 0.8197 (tpt-90) cc_final: 0.7579 (tpt-90) REVERT: J 262 ARG cc_start: 0.8294 (mtt180) cc_final: 0.7549 (mtt180) REVERT: J 264 HIS cc_start: 0.8223 (p-80) cc_final: 0.6771 (p-80) REVERT: J 300 MET cc_start: 0.7268 (ptp) cc_final: 0.6308 (ptp) REVERT: J 317 PHE cc_start: 0.7969 (m-10) cc_final: 0.7742 (m-10) REVERT: J 321 MET cc_start: 0.8297 (ptp) cc_final: 0.7634 (ptp) REVERT: J 323 MET cc_start: 0.7910 (mmp) cc_final: 0.7074 (mmp) REVERT: J 324 LYS cc_start: 0.8842 (ttpt) cc_final: 0.8222 (ttpt) REVERT: J 327 ASP cc_start: 0.8336 (m-30) cc_final: 0.7678 (m-30) REVERT: J 328 GLU cc_start: 0.6915 (pp20) cc_final: 0.6556 (pp20) REVERT: J 330 MET cc_start: 0.8199 (mmp) cc_final: 0.7619 (mmp) REVERT: J 347 ASN cc_start: 0.7143 (t0) cc_final: 0.6633 (t0) REVERT: J 367 PHE cc_start: 0.7401 (t80) cc_final: 0.7162 (t80) REVERT: J 370 ASN cc_start: 0.7010 (p0) cc_final: 0.6511 (p0) REVERT: J 375 GLN cc_start: 0.7523 (pp30) cc_final: 0.7021 (pp30) REVERT: J 389 PHE cc_start: 0.7818 (t80) cc_final: 0.7595 (t80) REVERT: J 390 ARG cc_start: 0.8140 (ttp80) cc_final: 0.7829 (ttp80) REVERT: J 392 LYS cc_start: 0.7854 (mtmm) cc_final: 0.7261 (mmtm) REVERT: J 395 LEU cc_start: 0.7757 (mt) cc_final: 0.7406 (mt) REVERT: J 397 TRP cc_start: 0.7054 (m100) cc_final: 0.6716 (m-10) REVERT: J 404 ASP cc_start: 0.8288 (t0) cc_final: 0.7627 (t0) REVERT: J 406 MET cc_start: 0.8159 (mmp) cc_final: 0.7493 (mmp) REVERT: J 407 GLU cc_start: 0.8159 (mt-10) cc_final: 0.7654 (mt-10) REVERT: J 410 GLU cc_start: 0.8014 (mt-10) cc_final: 0.7578 (mt-10) REVERT: J 414 ASN cc_start: 0.8807 (m-40) cc_final: 0.8514 (m-40) REVERT: J 415 MET cc_start: 0.8232 (tpt) cc_final: 0.7377 (mmm) REVERT: J 421 GLU cc_start: 0.8142 (tt0) cc_final: 0.7492 (tt0) REVERT: S 18 LEU cc_start: 0.7445 (mt) cc_final: 0.7204 (mt) REVERT: S 32 LYS cc_start: 0.8021 (mmpt) cc_final: 0.7673 (mttp) REVERT: S 41 ILE cc_start: 0.6675 (mm) cc_final: 0.6330 (mm) REVERT: S 103 GLU cc_start: 0.8070 (tp30) cc_final: 0.7675 (tp30) REVERT: S 131 LYS cc_start: 0.7405 (mtmm) cc_final: 0.6655 (mtmm) REVERT: S 171 ARG cc_start: 0.7684 (ttt180) cc_final: 0.7448 (ttt180) REVERT: S 178 GLU cc_start: 0.8369 (mt-10) cc_final: 0.7061 (mt-10) REVERT: S 210 ILE cc_start: 0.7819 (mp) cc_final: 0.7487 (mp) REVERT: S 217 THR cc_start: 0.6651 (m) cc_final: 0.6027 (p) REVERT: S 220 GLU cc_start: 0.5276 (mm-30) cc_final: 0.4889 (mm-30) REVERT: S 227 LEU cc_start: 0.7997 (tp) cc_final: 0.7728 (tp) REVERT: S 229 LEU cc_start: 0.7439 (mp) cc_final: 0.6972 (mp) REVERT: S 274 TYR cc_start: 0.5632 (t80) cc_final: 0.5206 (t80) REVERT: S 282 MET cc_start: 0.8371 (tpt) cc_final: 0.7856 (tpt) REVERT: S 285 ILE cc_start: 0.8325 (mt) cc_final: 0.8071 (mt) REVERT: S 307 TYR cc_start: 0.6572 (t80) cc_final: 0.6086 (t80) REVERT: B 11 GLN cc_start: 0.7928 (tp-100) cc_final: 0.6769 (tm-30) REVERT: B 15 GLN cc_start: 0.8560 (mm-40) cc_final: 0.7858 (mm-40) REVERT: B 16 MET cc_start: 0.8904 (tpt) cc_final: 0.8418 (tpt) REVERT: B 23 LEU cc_start: 0.8563 (tp) cc_final: 0.8356 (tp) REVERT: B 24 TYR cc_start: 0.8231 (m-80) cc_final: 0.7149 (m-80) REVERT: B 75 ASP cc_start: 0.6524 (t0) cc_final: 0.6159 (t0) REVERT: B 83 GLU cc_start: 0.7754 (tm-30) cc_final: 0.7307 (tm-30) REVERT: B 84 ILE cc_start: 0.8573 (mm) cc_final: 0.7764 (mm) REVERT: B 127 ARG cc_start: 0.7455 (tpp80) cc_final: 0.7081 (tpp80) REVERT: B 158 LEU cc_start: 0.8422 (tp) cc_final: 0.8039 (tp) REVERT: B 160 MET cc_start: 0.7808 (tmm) cc_final: 0.7477 (tmm) REVERT: B 192 ASN cc_start: 0.8561 (m110) cc_final: 0.8095 (m110) REVERT: B 210 VAL cc_start: 0.7788 (t) cc_final: 0.7544 (p) REVERT: B 212 ASN cc_start: 0.8080 (m-40) cc_final: 0.6835 (m-40) REVERT: B 216 TYR cc_start: 0.7831 (m-80) cc_final: 0.7004 (m-80) REVERT: B 222 ASN cc_start: 0.8474 (m-40) cc_final: 0.7609 (t0) REVERT: B 282 ILE cc_start: 0.7776 (tp) cc_final: 0.7556 (tp) REVERT: B 283 SER cc_start: 0.8383 (p) cc_final: 0.7847 (p) REVERT: B 286 LYS cc_start: 0.7874 (ttmt) cc_final: 0.7566 (ttmt) REVERT: B 299 ASN cc_start: 0.7840 (m110) cc_final: 0.7595 (m110) REVERT: B 308 MET cc_start: 0.7588 (mmt) cc_final: 0.7104 (mmt) REVERT: B 312 ASP cc_start: 0.6933 (t0) cc_final: 0.6571 (t0) REVERT: B 315 HIS cc_start: 0.8122 (m90) cc_final: 0.7796 (m-70) REVERT: B 317 LYS cc_start: 0.7805 (mttm) cc_final: 0.7404 (mttm) REVERT: B 319 MET cc_start: 0.7486 (mmm) cc_final: 0.6488 (mmm) REVERT: B 322 CYS cc_start: 0.7466 (t) cc_final: 0.4476 (t) REVERT: B 323 LEU cc_start: 0.8432 (mm) cc_final: 0.7387 (mm) REVERT: B 324 LEU cc_start: 0.7703 (mp) cc_final: 0.7071 (mp) REVERT: B 344 LYS cc_start: 0.6890 (ttmm) cc_final: 0.6447 (ttmm) REVERT: B 345 ARG cc_start: 0.8054 (mmm160) cc_final: 0.7843 (mmm160) REVERT: B 383 MET cc_start: 0.7211 (ttp) cc_final: 0.6750 (tmm) REVERT: B 384 LEU cc_start: 0.7548 (mm) cc_final: 0.7328 (mm) REVERT: B 385 SER cc_start: 0.8102 (t) cc_final: 0.7736 (m) REVERT: B 403 LEU cc_start: 0.8240 (mt) cc_final: 0.7971 (mt) REVERT: B 404 MET cc_start: 0.8073 (mtm) cc_final: 0.7842 (mtm) REVERT: B 410 PHE cc_start: 0.8351 (m-80) cc_final: 0.7534 (m-80) REVERT: B 423 GLU cc_start: 0.8420 (pp20) cc_final: 0.7939 (pp20) REVERT: B 426 GLU cc_start: 0.8235 (mm-30) cc_final: 0.7857 (mm-30) REVERT: B 428 ARG cc_start: 0.7776 (tmt170) cc_final: 0.7516 (tmt170) REVERT: B 440 GLU cc_start: 0.7819 (mt-10) cc_final: 0.7183 (mt-10) REVERT: K 21 TRP cc_start: 0.8407 (m100) cc_final: 0.7726 (m100) REVERT: K 22 GLU cc_start: 0.8214 (mt-10) cc_final: 0.7781 (mt-10) REVERT: K 27 GLU cc_start: 0.8277 (mt-10) cc_final: 0.7955 (mt-10) REVERT: K 46 ARG cc_start: 0.8191 (mmp80) cc_final: 0.7676 (mmp80) REVERT: K 48 ASN cc_start: 0.7303 (p0) cc_final: 0.6803 (p0) REVERT: K 58 LYS cc_start: 0.6872 (ttmm) cc_final: 0.6669 (ttmm) REVERT: K 73 MET cc_start: 0.7984 (mmt) cc_final: 0.7394 (mmt) REVERT: K 123 GLU cc_start: 0.9153 (mm-30) cc_final: 0.8509 (mm-30) REVERT: K 147 MET cc_start: 0.6815 (tmm) cc_final: 0.6585 (tmm) REVERT: K 150 LEU cc_start: 0.8128 (tp) cc_final: 0.7781 (tp) REVERT: K 154 LYS cc_start: 0.7719 (mmmt) cc_final: 0.7144 (mmmt) REVERT: K 164 MET cc_start: 0.7081 (mtp) cc_final: 0.5571 (mtp) REVERT: K 165 ASN cc_start: 0.7245 (t0) cc_final: 0.6326 (t0) REVERT: K 183 TYR cc_start: 0.7823 (m-10) cc_final: 0.7462 (m-10) REVERT: K 194 GLU cc_start: 0.7935 (mm-30) cc_final: 0.7648 (mm-30) REVERT: K 195 ASN cc_start: 0.7772 (m-40) cc_final: 0.6844 (m-40) REVERT: K 197 ASP cc_start: 0.6903 (m-30) cc_final: 0.6208 (m-30) REVERT: K 198 GLU cc_start: 0.7076 (pt0) cc_final: 0.6778 (pt0) REVERT: K 213 ARG cc_start: 0.8171 (mtm110) cc_final: 0.7665 (mtm110) REVERT: K 216 LYS cc_start: 0.8389 (pttp) cc_final: 0.8100 (pttp) REVERT: K 233 MET cc_start: 0.8565 (mtp) cc_final: 0.8307 (mtp) REVERT: K 247 ASN cc_start: 0.7201 (m110) cc_final: 0.6970 (m110) REVERT: K 266 PHE cc_start: 0.6834 (m-10) cc_final: 0.6573 (m-10) REVERT: K 297 LYS cc_start: 0.8166 (mmmt) cc_final: 0.7629 (mmmt) REVERT: K 299 MET cc_start: 0.7007 (ptm) cc_final: 0.6365 (ppp) REVERT: K 323 MET cc_start: 0.7903 (mmp) cc_final: 0.7215 (mmp) REVERT: K 327 ASP cc_start: 0.8455 (m-30) cc_final: 0.7834 (p0) REVERT: K 330 MET cc_start: 0.8244 (mmp) cc_final: 0.7865 (mmp) REVERT: K 345 ILE cc_start: 0.8782 (tp) cc_final: 0.8440 (tp) REVERT: K 350 LYS cc_start: 0.8079 (tptp) cc_final: 0.7438 (tptp) REVERT: K 362 LYS cc_start: 0.7963 (mmmt) cc_final: 0.7469 (mmmt) REVERT: K 363 MET cc_start: 0.7976 (mmm) cc_final: 0.7688 (mmm) REVERT: K 383 GLU cc_start: 0.8132 (mm-30) cc_final: 0.7507 (mm-30) REVERT: K 385 PHE cc_start: 0.8186 (t80) cc_final: 0.7759 (t80) REVERT: K 398 TYR cc_start: 0.7081 (m-80) cc_final: 0.6770 (m-80) REVERT: K 407 GLU cc_start: 0.8514 (mt-10) cc_final: 0.7886 (mt-10) REVERT: K 408 PHE cc_start: 0.8493 (m-80) cc_final: 0.7711 (m-80) REVERT: K 415 MET cc_start: 0.7909 (tpt) cc_final: 0.7588 (tpt) REVERT: K 421 GLU cc_start: 0.7967 (tt0) cc_final: 0.6981 (tt0) REVERT: T 14 ARG cc_start: 0.5658 (tmt170) cc_final: 0.5123 (tmt170) REVERT: T 18 LEU cc_start: 0.7870 (mt) cc_final: 0.7627 (mt) REVERT: T 52 PHE cc_start: 0.5192 (m-80) cc_final: 0.4979 (m-80) REVERT: T 93 HIS cc_start: 0.5989 (m-70) cc_final: 0.5470 (m-70) REVERT: T 180 MET cc_start: 0.7427 (tmm) cc_final: 0.7161 (tmm) REVERT: T 228 TYR cc_start: 0.6014 (m-80) cc_final: 0.5197 (m-80) REVERT: T 256 LYS cc_start: 0.7464 (mmmt) cc_final: 0.7023 (mmmt) REVERT: T 282 MET cc_start: 0.6284 (tpt) cc_final: 0.5896 (tpt) REVERT: T 296 THR cc_start: 0.4407 (m) cc_final: 0.3982 (m) REVERT: T 313 LYS cc_start: 0.7624 (mtmt) cc_final: 0.7405 (tppt) REVERT: T 321 ARG cc_start: 0.7770 (mtm180) cc_final: 0.7130 (mtm180) REVERT: C 23 LEU cc_start: 0.8619 (tp) cc_final: 0.8355 (tp) REVERT: C 31 GLN cc_start: 0.7905 (mt0) cc_final: 0.7447 (mt0) REVERT: C 73 PHE cc_start: 0.8260 (m-10) cc_final: 0.7823 (m-10) REVERT: C 79 THR cc_start: 0.7691 (p) cc_final: 0.7191 (p) REVERT: C 83 GLU cc_start: 0.8076 (tm-30) cc_final: 0.7729 (tm-30) REVERT: C 84 ILE cc_start: 0.8740 (mt) cc_final: 0.8265 (mt) REVERT: C 96 GLU cc_start: 0.7443 (tt0) cc_final: 0.6991 (tt0) REVERT: C 127 ARG cc_start: 0.7724 (tpp80) cc_final: 0.7136 (tpt-90) REVERT: C 134 GLN cc_start: 0.7600 (tm-30) cc_final: 0.7123 (tm-30) REVERT: C 160 MET cc_start: 0.7829 (tmm) cc_final: 0.7419 (tmm) REVERT: C 189 GLU cc_start: 0.7931 (pm20) cc_final: 0.7089 (pm20) REVERT: C 192 ASN cc_start: 0.8662 (m-40) cc_final: 0.8393 (m-40) REVERT: C 206 CYS cc_start: 0.7108 (p) cc_final: 0.6815 (p) REVERT: C 212 ASN cc_start: 0.8478 (m-40) cc_final: 0.8132 (m-40) REVERT: C 216 TYR cc_start: 0.8390 (m-80) cc_final: 0.7883 (m-80) REVERT: C 230 TYR cc_start: 0.8034 (m-80) cc_final: 0.7464 (m-80) REVERT: C 265 LEU cc_start: 0.8151 (mm) cc_final: 0.7732 (mm) REVERT: C 277 THR cc_start: 0.7647 (t) cc_final: 0.6856 (p) REVERT: C 312 ASP cc_start: 0.7189 (t0) cc_final: 0.6562 (t0) REVERT: C 315 HIS cc_start: 0.8212 (m90) cc_final: 0.7776 (m-70) REVERT: C 319 MET cc_start: 0.7786 (ttt) cc_final: 0.6862 (ttt) REVERT: C 342 LYS cc_start: 0.8416 (ttmm) cc_final: 0.8097 (ttmm) REVERT: C 345 ARG cc_start: 0.8093 (mmm160) cc_final: 0.7751 (mmm160) REVERT: C 349 PHE cc_start: 0.8146 (m-80) cc_final: 0.7563 (m-10) REVERT: C 386 ASN cc_start: 0.7622 (t0) cc_final: 0.5462 (t0) REVERT: C 400 LYS cc_start: 0.7962 (ptpt) cc_final: 0.7638 (ptpp) REVERT: C 404 MET cc_start: 0.8010 (mtm) cc_final: 0.7563 (mmt) REVERT: C 405 TYR cc_start: 0.7508 (t80) cc_final: 0.6703 (t80) REVERT: C 408 ARG cc_start: 0.7227 (mmt180) cc_final: 0.6519 (mmt180) REVERT: C 410 PHE cc_start: 0.7733 (m-80) cc_final: 0.7258 (m-80) REVERT: C 414 TYR cc_start: 0.8308 (m-80) cc_final: 0.8025 (m-80) REVERT: C 421 GLU cc_start: 0.6466 (tp30) cc_final: 0.5693 (tp30) REVERT: C 426 GLU cc_start: 0.8118 (mm-30) cc_final: 0.7877 (mm-30) REVERT: C 428 ARG cc_start: 0.7787 (tmt170) cc_final: 0.7566 (tmt170) REVERT: C 431 MET cc_start: 0.8274 (mmm) cc_final: 0.7953 (mmm) REVERT: C 440 GLU cc_start: 0.7103 (mt-10) cc_final: 0.6530 (mt-10) REVERT: L 11 GLN cc_start: 0.7311 (mt0) cc_final: 0.7025 (mt0) REVERT: L 20 PHE cc_start: 0.8702 (t80) cc_final: 0.8057 (t80) REVERT: L 21 TRP cc_start: 0.8515 (m100) cc_final: 0.8018 (m100) REVERT: L 22 GLU cc_start: 0.8332 (mt-10) cc_final: 0.8036 (mt-10) REVERT: L 24 ILE cc_start: 0.8843 (pt) cc_final: 0.8402 (pt) REVERT: L 57 ASN cc_start: 0.8131 (m-40) cc_final: 0.7929 (m-40) REVERT: L 69 GLU cc_start: 0.6552 (tm-30) cc_final: 0.6304 (tm-30) REVERT: L 73 MET cc_start: 0.7980 (mmt) cc_final: 0.7445 (mmt) REVERT: L 91 VAL cc_start: 0.7888 (p) cc_final: 0.7670 (m) REVERT: L 92 PHE cc_start: 0.8499 (p90) cc_final: 0.7978 (p90) REVERT: L 154 LYS cc_start: 0.8270 (mmtt) cc_final: 0.7792 (mmtt) REVERT: L 165 ASN cc_start: 0.7219 (t0) cc_final: 0.6368 (t0) REVERT: L 181 GLU cc_start: 0.8004 (mt-10) cc_final: 0.7347 (mt-10) REVERT: L 184 ASN cc_start: 0.8239 (m-40) cc_final: 0.7978 (m-40) REVERT: L 187 LEU cc_start: 0.8205 (mt) cc_final: 0.7705 (mt) REVERT: L 191 GLN cc_start: 0.7923 (mp-120) cc_final: 0.7128 (mp-120) REVERT: L 197 ASP cc_start: 0.6894 (m-30) cc_final: 0.6432 (m-30) REVERT: L 200 TYR cc_start: 0.7414 (m-80) cc_final: 0.6976 (m-80) REVERT: L 213 ARG cc_start: 0.8407 (mtm-85) cc_final: 0.7992 (mtm180) REVERT: L 216 LYS cc_start: 0.8580 (ptpt) cc_final: 0.8290 (ptpt) REVERT: L 225 LEU cc_start: 0.9270 (mt) cc_final: 0.8895 (mt) REVERT: L 227 HIS cc_start: 0.7505 (m90) cc_final: 0.7072 (m90) REVERT: L 233 MET cc_start: 0.8700 (mtp) cc_final: 0.8356 (mtp) REVERT: L 241 ARG cc_start: 0.7500 (mtm110) cc_final: 0.7255 (ttm110) REVERT: L 270 PHE cc_start: 0.7312 (t80) cc_final: 0.6597 (t80) REVERT: L 289 LEU cc_start: 0.8826 (mt) cc_final: 0.8485 (mt) REVERT: L 292 GLN cc_start: 0.8290 (tt0) cc_final: 0.8044 (tt0) REVERT: L 293 MET cc_start: 0.7290 (mmm) cc_final: 0.7089 (mmm) REVERT: L 323 MET cc_start: 0.8085 (mmp) cc_final: 0.6779 (mmp) REVERT: L 324 LYS cc_start: 0.7948 (ttpt) cc_final: 0.6998 (ttpt) REVERT: L 327 ASP cc_start: 0.8480 (m-30) cc_final: 0.8027 (p0) REVERT: L 330 MET cc_start: 0.8125 (mmp) cc_final: 0.7547 (mmp) REVERT: L 336 LYS cc_start: 0.8389 (mtmt) cc_final: 0.8098 (mtmm) REVERT: L 341 PHE cc_start: 0.7500 (m-80) cc_final: 0.7143 (m-80) REVERT: L 344 TRP cc_start: 0.7719 (p-90) cc_final: 0.7181 (p-90) REVERT: L 347 ASN cc_start: 0.7792 (t0) cc_final: 0.7249 (t0) REVERT: L 350 LYS cc_start: 0.8224 (tptp) cc_final: 0.7466 (tptp) REVERT: L 362 LYS cc_start: 0.7755 (mmmt) cc_final: 0.7277 (mmmt) REVERT: L 363 MET cc_start: 0.8112 (tpt) cc_final: 0.7701 (tpp) REVERT: L 390 ARG cc_start: 0.7989 (ptm-80) cc_final: 0.7200 (ptm-80) REVERT: L 406 MET cc_start: 0.8123 (mtt) cc_final: 0.7922 (mtt) REVERT: L 408 PHE cc_start: 0.8031 (m-80) cc_final: 0.7417 (m-80) REVERT: L 414 ASN cc_start: 0.8233 (m110) cc_final: 0.7816 (m110) REVERT: L 415 MET cc_start: 0.8085 (tpt) cc_final: 0.7760 (tpt) REVERT: L 421 GLU cc_start: 0.7990 (tt0) cc_final: 0.7557 (tt0) REVERT: L 422 TYR cc_start: 0.7775 (m-80) cc_final: 0.7296 (m-80) REVERT: U 22 GLU cc_start: 0.6615 (mt-10) cc_final: 0.6114 (mt-10) REVERT: U 60 GLN cc_start: 0.6175 (pt0) cc_final: 0.5770 (pm20) REVERT: U 95 MET cc_start: 0.7964 (mmm) cc_final: 0.7136 (mmm) REVERT: U 96 GLU cc_start: 0.7458 (tt0) cc_final: 0.6964 (tt0) REVERT: U 103 GLU cc_start: 0.8120 (tp30) cc_final: 0.7789 (tp30) REVERT: U 180 MET cc_start: 0.7577 (tmm) cc_final: 0.7280 (tmm) REVERT: U 256 LYS cc_start: 0.7736 (mmmt) cc_final: 0.7214 (mmmt) REVERT: U 307 TYR cc_start: 0.7978 (t80) cc_final: 0.7264 (t80) REVERT: U 321 ARG cc_start: 0.7336 (mtm180) cc_final: 0.6889 (mtm180) REVERT: D 11 GLN cc_start: 0.7046 (tp-100) cc_final: 0.5849 (tm-30) REVERT: D 15 GLN cc_start: 0.8332 (mm-40) cc_final: 0.7603 (mm110) REVERT: D 16 MET cc_start: 0.8253 (mtm) cc_final: 0.7249 (mtm) REVERT: D 21 TRP cc_start: 0.7995 (m100) cc_final: 0.7149 (m100) REVERT: D 31 GLN cc_start: 0.7613 (mt0) cc_final: 0.6974 (mt0) REVERT: D 72 VAL cc_start: 0.7784 (m) cc_final: 0.7451 (p) REVERT: D 83 GLU cc_start: 0.8292 (tm-30) cc_final: 0.8074 (tm-30) REVERT: D 92 LEU cc_start: 0.7907 (mt) cc_final: 0.7481 (mt) REVERT: D 96 GLU cc_start: 0.7648 (pm20) cc_final: 0.7431 (pm20) REVERT: D 97 GLN cc_start: 0.7869 (mp10) cc_final: 0.7260 (mp10) REVERT: D 98 LEU cc_start: 0.8054 (mt) cc_final: 0.7811 (mm) REVERT: D 119 GLU cc_start: 0.8145 (pp20) cc_final: 0.7772 (pp20) REVERT: D 125 LEU cc_start: 0.8401 (mm) cc_final: 0.8085 (mm) REVERT: D 160 MET cc_start: 0.7553 (tmm) cc_final: 0.6978 (tmm) REVERT: D 171 SER cc_start: 0.8101 (m) cc_final: 0.7760 (p) REVERT: D 172 LYS cc_start: 0.7447 (mtmm) cc_final: 0.6710 (mtmm) REVERT: D 182 GLN cc_start: 0.7900 (pp30) cc_final: 0.7573 (pp30) REVERT: D 192 ASN cc_start: 0.8598 (m110) cc_final: 0.8223 (m110) REVERT: D 203 HIS cc_start: 0.8262 (m170) cc_final: 0.7212 (m170) REVERT: D 209 MET cc_start: 0.6658 (mmm) cc_final: 0.6265 (mmm) REVERT: D 222 ASN cc_start: 0.8667 (m-40) cc_final: 0.8132 (m-40) REVERT: D 232 ASN cc_start: 0.8291 (m-40) cc_final: 0.7863 (m-40) REVERT: D 261 PHE cc_start: 0.8450 (m-80) cc_final: 0.7924 (m-80) REVERT: D 286 LYS cc_start: 0.8375 (ttmt) cc_final: 0.8107 (ttmm) REVERT: D 289 HIS cc_start: 0.7059 (m90) cc_final: 0.6452 (m90) REVERT: D 290 GLU cc_start: 0.7267 (tm-30) cc_final: 0.6477 (tm-30) REVERT: D 308 MET cc_start: 0.7192 (mmt) cc_final: 0.6427 (mmt) REVERT: D 311 CYS cc_start: 0.8086 (m) cc_final: 0.7670 (m) REVERT: D 312 ASP cc_start: 0.7867 (t0) cc_final: 0.7309 (t0) REVERT: D 315 HIS cc_start: 0.7758 (m90) cc_final: 0.7067 (m170) REVERT: D 319 MET cc_start: 0.6972 (tpt) cc_final: 0.6213 (tpt) REVERT: D 324 LEU cc_start: 0.7969 (mp) cc_final: 0.7769 (mp) REVERT: D 347 ILE cc_start: 0.8205 (pt) cc_final: 0.7984 (pt) REVERT: D 379 ARG cc_start: 0.8526 (ptp-170) cc_final: 0.8044 (mtm180) REVERT: D 400 LYS cc_start: 0.8576 (ptpt) cc_final: 0.8079 (ptpp) REVERT: D 404 MET cc_start: 0.8492 (mtm) cc_final: 0.7757 (mmm) REVERT: D 407 LYS cc_start: 0.8497 (mmmt) cc_final: 0.8062 (tppp) REVERT: D 410 PHE cc_start: 0.7840 (m-80) cc_final: 0.7602 (m-80) REVERT: D 412 HIS cc_start: 0.7748 (p-80) cc_final: 0.7230 (p-80) REVERT: D 413 TRP cc_start: 0.8047 (m100) cc_final: 0.7507 (m100) REVERT: D 421 GLU cc_start: 0.7423 (tp30) cc_final: 0.7017 (tp30) REVERT: D 431 MET cc_start: 0.6985 (tpt) cc_final: 0.5935 (tpt) REVERT: D 440 GLU cc_start: 0.8011 (mt-10) cc_final: 0.7393 (mt-10) REVERT: M 11 GLN cc_start: 0.7008 (tt0) cc_final: 0.6670 (tp40) REVERT: M 20 PHE cc_start: 0.8851 (t80) cc_final: 0.8405 (t80) REVERT: M 24 ILE cc_start: 0.8461 (pt) cc_final: 0.7951 (pt) REVERT: M 26 ASP cc_start: 0.7983 (m-30) cc_final: 0.7630 (m-30) REVERT: M 27 GLU cc_start: 0.8476 (mt-10) cc_final: 0.8141 (mt-10) REVERT: M 31 ASP cc_start: 0.7704 (t0) cc_final: 0.7407 (t0) REVERT: M 69 GLU cc_start: 0.6397 (tm-30) cc_final: 0.5560 (tm-30) REVERT: M 72 THR cc_start: 0.8476 (m) cc_final: 0.7619 (p) REVERT: M 73 MET cc_start: 0.8335 (mmt) cc_final: 0.7167 (mmt) REVERT: M 86 ARG cc_start: 0.3954 (mmt180) cc_final: 0.2750 (mmt180) REVERT: M 94 GLN cc_start: 0.7991 (mt0) cc_final: 0.7384 (mt0) REVERT: M 99 ASN cc_start: 0.7289 (m110) cc_final: 0.6861 (m110) REVERT: M 121 ARG cc_start: 0.7914 (mtt90) cc_final: 0.7695 (ttm-80) REVERT: M 122 LYS cc_start: 0.8472 (ttpp) cc_final: 0.8160 (ttpp) REVERT: M 125 GLU cc_start: 0.7665 (mm-30) cc_final: 0.7426 (mm-30) REVERT: M 131 GLN cc_start: 0.5698 (tp40) cc_final: 0.5404 (tp40) REVERT: M 151 LEU cc_start: 0.8458 (pp) cc_final: 0.8192 (pp) REVERT: M 154 LYS cc_start: 0.8133 (mmmt) cc_final: 0.7729 (mmmt) REVERT: M 164 MET cc_start: 0.7515 (mtp) cc_final: 0.5352 (mtp) REVERT: M 178 THR cc_start: 0.7766 (t) cc_final: 0.6792 (m) REVERT: M 181 GLU cc_start: 0.7514 (mt-10) cc_final: 0.7059 (mt-10) REVERT: M 184 ASN cc_start: 0.8345 (m-40) cc_final: 0.7765 (t0) REVERT: M 195 ASN cc_start: 0.8351 (m-40) cc_final: 0.7195 (m-40) REVERT: M 198 GLU cc_start: 0.6688 (pt0) cc_final: 0.5718 (pm20) REVERT: M 205 GLU cc_start: 0.7882 (pt0) cc_final: 0.7059 (pt0) REVERT: M 208 TYR cc_start: 0.6768 (m-80) cc_final: 0.6305 (m-80) REVERT: M 209 ASP cc_start: 0.7789 (t70) cc_final: 0.7398 (t70) REVERT: M 216 LYS cc_start: 0.8709 (ptpp) cc_final: 0.8373 (ptpp) REVERT: M 225 LEU cc_start: 0.8539 (mt) cc_final: 0.8334 (mt) REVERT: M 257 MET cc_start: 0.7812 (mmm) cc_final: 0.7198 (mmm) REVERT: M 260 PHE cc_start: 0.8342 (m-10) cc_final: 0.8007 (m-10) REVERT: M 264 HIS cc_start: 0.8067 (p-80) cc_final: 0.7622 (p-80) REVERT: M 267 MET cc_start: 0.7682 (mtp) cc_final: 0.7441 (mtp) REVERT: M 270 PHE cc_start: 0.7931 (t80) cc_final: 0.7728 (t80) REVERT: M 276 ARG cc_start: 0.7933 (tmt170) cc_final: 0.7479 (tmt170) REVERT: M 289 LEU cc_start: 0.8331 (mt) cc_final: 0.8117 (mt) REVERT: M 294 PHE cc_start: 0.7140 (m-10) cc_final: 0.6610 (m-10) REVERT: M 300 MET cc_start: 0.7727 (mtm) cc_final: 0.7132 (mtm) REVERT: M 323 MET cc_start: 0.7804 (mmp) cc_final: 0.7078 (mmp) REVERT: M 324 LYS cc_start: 0.7934 (ttpt) cc_final: 0.7504 (ttpt) REVERT: M 325 GLU cc_start: 0.8236 (pt0) cc_final: 0.7462 (pt0) REVERT: M 327 ASP cc_start: 0.8496 (m-30) cc_final: 0.8109 (m-30) REVERT: M 330 MET cc_start: 0.8351 (mmp) cc_final: 0.8000 (mmp) REVERT: M 345 ILE cc_start: 0.8511 (tp) cc_final: 0.7634 (tp) REVERT: M 348 ASN cc_start: 0.8072 (m110) cc_final: 0.7779 (m110) REVERT: M 349 VAL cc_start: 0.7727 (p) cc_final: 0.7486 (m) REVERT: M 359 ARG cc_start: 0.7215 (ttm-80) cc_final: 0.6742 (ttm-80) REVERT: M 362 LYS cc_start: 0.8106 (mmmt) cc_final: 0.7662 (mmmt) REVERT: M 374 ILE cc_start: 0.8338 (tp) cc_final: 0.7958 (tp) REVERT: M 375 GLN cc_start: 0.7725 (pt0) cc_final: 0.7218 (pt0) REVERT: M 379 LYS cc_start: 0.8276 (mmtm) cc_final: 0.7495 (mmtm) REVERT: M 392 LYS cc_start: 0.8187 (mtmm) cc_final: 0.7673 (mtmm) REVERT: M 395 LEU cc_start: 0.8783 (mt) cc_final: 0.8298 (mt) REVERT: M 397 TRP cc_start: 0.7421 (m100) cc_final: 0.6899 (m100) REVERT: M 408 PHE cc_start: 0.8714 (m-10) cc_final: 0.8223 (m-10) REVERT: M 410 GLU cc_start: 0.7736 (mt-10) cc_final: 0.7524 (mt-10) REVERT: M 415 MET cc_start: 0.7530 (tpt) cc_final: 0.7102 (tpt) REVERT: M 421 GLU cc_start: 0.8253 (mm-30) cc_final: 0.7956 (mm-30) REVERT: M 422 TYR cc_start: 0.7611 (m-80) cc_final: 0.7130 (m-80) REVERT: V 12 MET cc_start: 0.6683 (mpp) cc_final: 0.6297 (mpp) REVERT: V 19 ASN cc_start: 0.5430 (p0) cc_final: 0.4617 (p0) REVERT: V 63 ASN cc_start: 0.7307 (p0) cc_final: 0.6722 (m110) REVERT: V 93 HIS cc_start: 0.8164 (t-170) cc_final: 0.7466 (t-170) REVERT: V 95 MET cc_start: 0.7354 (mtp) cc_final: 0.7151 (mtp) REVERT: V 103 GLU cc_start: 0.7393 (tp30) cc_final: 0.6755 (tp30) REVERT: V 129 HIS cc_start: 0.5152 (m-70) cc_final: 0.4855 (m-70) REVERT: V 180 MET cc_start: 0.7582 (mpp) cc_final: 0.7287 (mmt) REVERT: V 220 GLU cc_start: 0.6073 (mm-30) cc_final: 0.5647 (mm-30) REVERT: V 252 LYS cc_start: 0.7811 (mttt) cc_final: 0.7588 (mttt) REVERT: V 254 ILE cc_start: 0.7357 (pt) cc_final: 0.7134 (pt) REVERT: V 256 LYS cc_start: 0.6962 (tptm) cc_final: 0.6713 (tptm) REVERT: V 278 ARG cc_start: 0.7263 (mtt180) cc_final: 0.6982 (mtt180) REVERT: V 282 MET cc_start: 0.6925 (tpt) cc_final: 0.6659 (tpt) REVERT: V 284 ARG cc_start: 0.8456 (mtp85) cc_final: 0.7450 (mtp85) REVERT: E 11 GLN cc_start: 0.7565 (tt0) cc_final: 0.6621 (tm-30) REVERT: E 16 MET cc_start: 0.8284 (mtm) cc_final: 0.7252 (mtm) REVERT: E 18 ASN cc_start: 0.7862 (t0) cc_final: 0.7215 (t0) REVERT: E 22 GLU cc_start: 0.7688 (pt0) cc_final: 0.7013 (pt0) REVERT: E 23 LEU cc_start: 0.8402 (tp) cc_final: 0.6986 (tp) REVERT: E 27 GLU cc_start: 0.8128 (mt-10) cc_final: 0.7275 (mt-10) REVERT: E 35 GLN cc_start: 0.6135 (tp40) cc_final: 0.5282 (tp40) REVERT: E 60 CYS cc_start: 0.6391 (t) cc_final: 0.5971 (t) REVERT: E 67 HIS cc_start: 0.6898 (m90) cc_final: 0.6038 (m90) REVERT: E 70 ARG cc_start: 0.7155 (mpt-90) cc_final: 0.6868 (mpt-90) REVERT: E 125 LEU cc_start: 0.8164 (mm) cc_final: 0.7864 (mm) REVERT: E 134 GLN cc_start: 0.8708 (pp30) cc_final: 0.8374 (pp30) REVERT: E 160 MET cc_start: 0.7758 (tmm) cc_final: 0.7307 (tmm) REVERT: E 161 GLU cc_start: 0.7914 (tt0) cc_final: 0.7440 (tt0) REVERT: E 163 LEU cc_start: 0.8685 (pp) cc_final: 0.8266 (tt) REVERT: E 169 LYS cc_start: 0.8953 (pptt) cc_final: 0.8459 (pptt) REVERT: E 170 LYS cc_start: 0.8695 (mmmm) cc_final: 0.8103 (tppp) REVERT: E 189 GLU cc_start: 0.8262 (mt-10) cc_final: 0.7646 (mt-10) REVERT: E 193 SER cc_start: 0.8536 (p) cc_final: 0.8293 (p) REVERT: E 203 HIS cc_start: 0.7794 (m-70) cc_final: 0.7165 (m-70) REVERT: E 232 ASN cc_start: 0.8765 (m110) cc_final: 0.7490 (m-40) REVERT: E 235 ARG cc_start: 0.8629 (mtt-85) cc_final: 0.7805 (mtt-85) REVERT: E 244 ILE cc_start: 0.7357 (pt) cc_final: 0.6809 (mt) REVERT: E 258 LEU cc_start: 0.8353 (mt) cc_final: 0.8050 (mt) REVERT: E 260 GLU cc_start: 0.7783 (pp20) cc_final: 0.7441 (pp20) REVERT: E 261 PHE cc_start: 0.8496 (m-80) cc_final: 0.8082 (m-80) REVERT: E 272 HIS cc_start: 0.6819 (p90) cc_final: 0.6027 (p90) REVERT: E 286 LYS cc_start: 0.7969 (ttmm) cc_final: 0.7640 (ttmm) REVERT: E 312 ASP cc_start: 0.7801 (t0) cc_final: 0.6977 (t70) REVERT: E 315 HIS cc_start: 0.7171 (m90) cc_final: 0.6292 (m90) REVERT: E 319 MET cc_start: 0.6439 (mmm) cc_final: 0.5930 (mmm) REVERT: E 324 LEU cc_start: 0.8200 (mp) cc_final: 0.7888 (mp) REVERT: E 379 ARG cc_start: 0.8485 (ptp-170) cc_final: 0.8203 (mtp180) REVERT: E 383 MET cc_start: 0.7048 (mmm) cc_final: 0.6753 (mmm) REVERT: E 401 PHE cc_start: 0.8468 (t80) cc_final: 0.7713 (t80) REVERT: E 402 ASP cc_start: 0.8165 (m-30) cc_final: 0.7549 (m-30) REVERT: E 405 TYR cc_start: 0.7910 (t80) cc_final: 0.6779 (t80) REVERT: E 421 GLU cc_start: 0.7723 (tp30) cc_final: 0.6560 (tp30) REVERT: E 423 GLU cc_start: 0.8638 (pm20) cc_final: 0.8305 (pm20) REVERT: E 426 GLU cc_start: 0.7962 (mm-30) cc_final: 0.7524 (mm-30) REVERT: E 431 MET cc_start: 0.8229 (mmp) cc_final: 0.7800 (mmp) REVERT: E 434 LEU cc_start: 0.8878 (mm) cc_final: 0.8248 (pp) REVERT: E 438 TYR cc_start: 0.7184 (m-80) cc_final: 0.6701 (m-80) REVERT: N 3 GLU cc_start: 0.7373 (mp0) cc_final: 0.6489 (mp0) REVERT: N 22 GLU cc_start: 0.8344 (tt0) cc_final: 0.8140 (tt0) REVERT: N 23 VAL cc_start: 0.8541 (p) cc_final: 0.8182 (p) REVERT: N 24 ILE cc_start: 0.8622 (pt) cc_final: 0.7968 (pt) REVERT: N 27 GLU cc_start: 0.8034 (mt-10) cc_final: 0.7821 (mt-10) REVERT: N 45 GLU cc_start: 0.7074 (tm-30) cc_final: 0.6747 (tm-30) REVERT: N 46 ARG cc_start: 0.7778 (mmt180) cc_final: 0.6966 (tpp80) REVERT: N 48 ASN cc_start: 0.7729 (p0) cc_final: 0.7477 (p0) REVERT: N 62 ARG cc_start: 0.6909 (ttm110) cc_final: 0.6294 (ttm110) REVERT: N 67 ASP cc_start: 0.6833 (t70) cc_final: 0.6458 (t70) REVERT: N 73 MET cc_start: 0.8423 (mmt) cc_final: 0.8045 (mmt) REVERT: N 74 ASP cc_start: 0.8039 (m-30) cc_final: 0.7685 (m-30) REVERT: N 77 ARG cc_start: 0.8009 (ttm110) cc_final: 0.7366 (ttm110) REVERT: N 94 GLN cc_start: 0.7814 (mt0) cc_final: 0.7557 (mt0) REVERT: N 106 TYR cc_start: 0.8199 (m-80) cc_final: 0.7858 (m-10) REVERT: N 108 GLU cc_start: 0.7696 (mm-30) cc_final: 0.7282 (mm-30) REVERT: N 111 GLU cc_start: 0.8082 (pp20) cc_final: 0.7765 (pp20) REVERT: N 121 ARG cc_start: 0.8750 (mtt90) cc_final: 0.8459 (ptp-110) REVERT: N 122 LYS cc_start: 0.8416 (ttpp) cc_final: 0.7904 (ttpp) REVERT: N 129 CYS cc_start: 0.7867 (m) cc_final: 0.7269 (p) REVERT: N 139 LEU cc_start: 0.6699 (mp) cc_final: 0.6489 (mp) REVERT: N 143 THR cc_start: 0.8354 (t) cc_final: 0.7437 (t) REVERT: N 154 LYS cc_start: 0.8100 (mmpt) cc_final: 0.7762 (mmpt) REVERT: N 170 MET cc_start: 0.8202 (mpp) cc_final: 0.7874 (mpp) REVERT: N 178 THR cc_start: 0.7223 (t) cc_final: 0.6037 (m) REVERT: N 197 ASP cc_start: 0.6735 (m-30) cc_final: 0.6377 (m-30) REVERT: N 198 GLU cc_start: 0.6564 (pm20) cc_final: 0.6047 (pm20) REVERT: N 210 ILE cc_start: 0.8492 (tp) cc_final: 0.8276 (tp) REVERT: N 215 LEU cc_start: 0.8080 (tp) cc_final: 0.7441 (tp) REVERT: N 217 LEU cc_start: 0.8605 (mt) cc_final: 0.7963 (mt) REVERT: N 257 MET cc_start: 0.6840 (mtt) cc_final: 0.6591 (mtt) REVERT: N 262 ARG cc_start: 0.7854 (mtp85) cc_final: 0.7360 (mtt180) REVERT: N 289 LEU cc_start: 0.8467 (mt) cc_final: 0.8197 (mt) REVERT: N 292 GLN cc_start: 0.8539 (tt0) cc_final: 0.7973 (tt0) REVERT: N 293 MET cc_start: 0.7773 (mtm) cc_final: 0.7571 (mtm) REVERT: N 307 HIS cc_start: 0.7295 (m170) cc_final: 0.6992 (m170) REVERT: N 317 PHE cc_start: 0.8199 (m-80) cc_final: 0.7769 (m-10) REVERT: N 326 VAL cc_start: 0.9304 (t) cc_final: 0.8617 (t) REVERT: N 327 ASP cc_start: 0.8742 (m-30) cc_final: 0.8313 (m-30) REVERT: N 328 GLU cc_start: 0.7063 (pp20) cc_final: 0.6782 (pp20) REVERT: N 330 MET cc_start: 0.8214 (mmp) cc_final: 0.7937 (mmp) REVERT: N 343 GLU cc_start: 0.7085 (pp20) cc_final: 0.6623 (pp20) REVERT: N 350 LYS cc_start: 0.7885 (tmtt) cc_final: 0.7559 (tmtt) REVERT: N 363 MET cc_start: 0.7471 (mmm) cc_final: 0.7245 (mmm) REVERT: N 367 PHE cc_start: 0.7915 (t80) cc_final: 0.7573 (t80) REVERT: N 391 ARG cc_start: 0.6913 (ttt180) cc_final: 0.6135 (ttt180) REVERT: N 392 LYS cc_start: 0.7576 (mtmm) cc_final: 0.7057 (mmtm) REVERT: N 397 TRP cc_start: 0.7331 (m100) cc_final: 0.6255 (m100) REVERT: N 406 MET cc_start: 0.8489 (mmp) cc_final: 0.8207 (mmp) REVERT: N 415 MET cc_start: 0.8349 (tpt) cc_final: 0.7723 (tpp) REVERT: N 417 ASP cc_start: 0.7745 (m-30) cc_final: 0.7508 (m-30) REVERT: W 10 LYS cc_start: 0.7266 (mttt) cc_final: 0.6894 (mttt) REVERT: W 32 LYS cc_start: 0.8745 (mmmt) cc_final: 0.8351 (mmmt) REVERT: W 36 GLU cc_start: 0.7727 (mt-10) cc_final: 0.7216 (mt-10) REVERT: W 80 THR cc_start: 0.6697 (m) cc_final: 0.6477 (m) REVERT: W 95 MET cc_start: 0.7193 (mtt) cc_final: 0.6766 (mtt) REVERT: W 103 GLU cc_start: 0.7950 (tp30) cc_final: 0.7280 (tp30) REVERT: W 171 ARG cc_start: 0.7085 (mtt180) cc_final: 0.6544 (mtt180) REVERT: W 211 ASN cc_start: 0.6819 (m110) cc_final: 0.6444 (m110) REVERT: W 268 LEU cc_start: 0.8049 (mt) cc_final: 0.7812 (mt) REVERT: W 295 ARG cc_start: 0.4848 (mmm160) cc_final: 0.4368 (tpt-90) REVERT: F 5 ILE cc_start: 0.7384 (pt) cc_final: 0.7158 (pt) REVERT: F 20 CYS cc_start: 0.8368 (p) cc_final: 0.7259 (p) REVERT: F 23 LEU cc_start: 0.8747 (tp) cc_final: 0.8400 (tt) REVERT: F 24 TYR cc_start: 0.7659 (m-80) cc_final: 0.7254 (m-80) REVERT: F 31 GLN cc_start: 0.7395 (mt0) cc_final: 0.6635 (mp10) REVERT: F 79 THR cc_start: 0.7829 (p) cc_final: 0.7396 (p) REVERT: F 96 GLU cc_start: 0.7514 (tt0) cc_final: 0.7149 (tt0) REVERT: F 116 ILE cc_start: 0.8213 (mm) cc_final: 0.7166 (mm) REVERT: F 119 GLU cc_start: 0.8135 (pp20) cc_final: 0.7858 (pp20) REVERT: F 131 LEU cc_start: 0.8071 (tp) cc_final: 0.7856 (tp) REVERT: F 160 MET cc_start: 0.7700 (tmm) cc_final: 0.6342 (tmm) REVERT: F 169 LYS cc_start: 0.8915 (mtmm) cc_final: 0.8670 (mtmm) REVERT: F 172 LYS cc_start: 0.8372 (ptpp) cc_final: 0.7832 (ptmt) REVERT: F 178 TYR cc_start: 0.5400 (m-10) cc_final: 0.4618 (m-10) REVERT: F 189 GLU cc_start: 0.7487 (pm20) cc_final: 0.7266 (pm20) REVERT: F 192 ASN cc_start: 0.8224 (m-40) cc_final: 0.7827 (m-40) REVERT: F 206 CYS cc_start: 0.7956 (p) cc_final: 0.7115 (p) REVERT: F 208 PHE cc_start: 0.7299 (m-80) cc_final: 0.6796 (m-80) REVERT: F 209 MET cc_start: 0.6156 (mmp) cc_final: 0.5743 (mmp) REVERT: F 216 TYR cc_start: 0.7677 (m-10) cc_final: 0.7349 (m-80) REVERT: F 230 TYR cc_start: 0.7601 (m-80) cc_final: 0.6595 (m-80) REVERT: F 231 THR cc_start: 0.7706 (t) cc_final: 0.7443 (m) REVERT: F 240 ILE cc_start: 0.7993 (mt) cc_final: 0.7790 (mt) REVERT: F 277 THR cc_start: 0.7391 (t) cc_final: 0.5816 (m) REVERT: F 286 LYS cc_start: 0.8443 (mttm) cc_final: 0.8017 (mtpp) REVERT: F 299 ASN cc_start: 0.8142 (m110) cc_final: 0.7882 (m110) REVERT: F 303 GLU cc_start: 0.8520 (tm-30) cc_final: 0.7730 (tm-30) REVERT: F 306 ASN cc_start: 0.8098 (m-40) cc_final: 0.7606 (m-40) REVERT: F 308 MET cc_start: 0.7208 (mpp) cc_final: 0.6368 (mpp) REVERT: F 321 CYS cc_start: 0.8326 (t) cc_final: 0.7493 (t) REVERT: F 322 CYS cc_start: 0.7045 (t) cc_final: 0.6696 (t) REVERT: F 335 ASN cc_start: 0.8216 (m110) cc_final: 0.7726 (p0) REVERT: F 342 LYS cc_start: 0.8337 (mttt) cc_final: 0.7800 (mttt) REVERT: F 355 THR cc_start: 0.7523 (p) cc_final: 0.7047 (p) REVERT: F 358 LYS cc_start: 0.7144 (tptp) cc_final: 0.6845 (tptp) REVERT: F 383 MET cc_start: 0.7243 (ttm) cc_final: 0.6825 (tmm) REVERT: F 410 PHE cc_start: 0.8115 (m-80) cc_final: 0.7910 (m-10) REVERT: F 412 HIS cc_start: 0.8284 (p90) cc_final: 0.7068 (p-80) REVERT: F 423 GLU cc_start: 0.8509 (pp20) cc_final: 0.8208 (pp20) REVERT: F 424 PHE cc_start: 0.8721 (m-10) cc_final: 0.8503 (m-10) REVERT: O 1 MET cc_start: 0.7238 (tpt) cc_final: 0.6612 (tpt) REVERT: O 50 TYR cc_start: 0.7321 (m-80) cc_final: 0.6880 (m-10) REVERT: O 62 ARG cc_start: 0.5874 (mtm-85) cc_final: 0.5381 (mtm-85) REVERT: O 68 LEU cc_start: 0.7957 (tp) cc_final: 0.7673 (tp) REVERT: O 73 MET cc_start: 0.8037 (mmt) cc_final: 0.7386 (mmt) REVERT: O 74 ASP cc_start: 0.7941 (m-30) cc_final: 0.7677 (m-30) REVERT: O 78 SER cc_start: 0.8255 (m) cc_final: 0.7869 (p) REVERT: O 83 GLN cc_start: 0.7869 (mm-40) cc_final: 0.7590 (mm110) REVERT: O 89 ASN cc_start: 0.8608 (m110) cc_final: 0.8329 (m-40) REVERT: O 92 PHE cc_start: 0.7979 (p90) cc_final: 0.7554 (p90) REVERT: O 100 ASN cc_start: 0.7546 (t0) cc_final: 0.7253 (t0) REVERT: O 123 GLU cc_start: 0.9158 (mm-30) cc_final: 0.8704 (mm-30) REVERT: O 151 LEU cc_start: 0.8578 (pp) cc_final: 0.8348 (pp) REVERT: O 164 MET cc_start: 0.7638 (mtp) cc_final: 0.6295 (mtp) REVERT: O 181 GLU cc_start: 0.7740 (mt-10) cc_final: 0.7226 (mt-10) REVERT: O 195 ASN cc_start: 0.7377 (m-40) cc_final: 0.6645 (m-40) REVERT: O 198 GLU cc_start: 0.7227 (pt0) cc_final: 0.6729 (pt0) REVERT: O 200 TYR cc_start: 0.7318 (m-80) cc_final: 0.6968 (m-80) REVERT: O 233 MET cc_start: 0.8193 (ttp) cc_final: 0.7764 (ttp) REVERT: O 242 PHE cc_start: 0.7580 (m-80) cc_final: 0.7220 (m-80) REVERT: O 256 ASN cc_start: 0.8097 (m-40) cc_final: 0.7805 (m110) REVERT: O 262 ARG cc_start: 0.8174 (mmm160) cc_final: 0.7645 (mmm-85) REVERT: O 263 LEU cc_start: 0.8290 (mt) cc_final: 0.7351 (mt) REVERT: O 264 HIS cc_start: 0.7606 (p-80) cc_final: 0.7399 (p-80) REVERT: O 267 MET cc_start: 0.6351 (ttm) cc_final: 0.5299 (ttm) REVERT: O 276 ARG cc_start: 0.7977 (tmt170) cc_final: 0.7752 (tmt170) REVERT: O 289 LEU cc_start: 0.9099 (mt) cc_final: 0.8880 (mt) REVERT: O 298 ASN cc_start: 0.8243 (t0) cc_final: 0.6866 (p0) REVERT: O 311 LEU cc_start: 0.7033 (mt) cc_final: 0.6651 (mt) REVERT: O 320 ARG cc_start: 0.6976 (tpt90) cc_final: 0.6438 (tpt90) REVERT: O 323 MET cc_start: 0.8137 (mmp) cc_final: 0.5931 (mmp) REVERT: O 327 ASP cc_start: 0.8517 (m-30) cc_final: 0.7892 (m-30) REVERT: O 362 LYS cc_start: 0.8074 (mmmt) cc_final: 0.7381 (mmmt) REVERT: O 367 PHE cc_start: 0.7739 (t80) cc_final: 0.7337 (t80) REVERT: O 375 GLN cc_start: 0.7642 (pp30) cc_final: 0.7257 (pp30) REVERT: O 390 ARG cc_start: 0.8186 (ptm-80) cc_final: 0.7535 (ptm-80) REVERT: O 392 LYS cc_start: 0.8532 (mtmm) cc_final: 0.8233 (mtmm) REVERT: X 28 LYS cc_start: 0.7280 (tmtt) cc_final: 0.6894 (tmtt) REVERT: X 36 GLU cc_start: 0.6629 (tm-30) cc_final: 0.6407 (tm-30) REVERT: X 60 GLN cc_start: 0.6257 (pt0) cc_final: 0.5806 (pm20) REVERT: X 91 LYS cc_start: 0.8082 (mttp) cc_final: 0.7188 (mttp) REVERT: X 127 GLU cc_start: 0.6221 (tt0) cc_final: 0.5826 (tt0) REVERT: X 306 SER cc_start: 0.7348 (t) cc_final: 0.7090 (m) REVERT: X 321 ARG cc_start: 0.7264 (mtm180) cc_final: 0.6929 (mtm180) REVERT: G 11 GLN cc_start: 0.6664 (tp-100) cc_final: 0.6133 (tp40) REVERT: G 83 GLU cc_start: 0.8203 (tm-30) cc_final: 0.7715 (tm-30) REVERT: G 84 ILE cc_start: 0.9027 (mt) cc_final: 0.8667 (mt) REVERT: G 96 GLU cc_start: 0.7532 (tt0) cc_final: 0.7005 (tt0) REVERT: G 97 GLN cc_start: 0.7666 (mm110) cc_final: 0.7125 (mm110) REVERT: G 99 ILE cc_start: 0.7643 (mm) cc_final: 0.7408 (mm) REVERT: G 119 GLU cc_start: 0.7507 (pp20) cc_final: 0.6994 (pp20) REVERT: G 127 ARG cc_start: 0.7984 (tpt170) cc_final: 0.7185 (tpt-90) REVERT: G 134 GLN cc_start: 0.8340 (tm-30) cc_final: 0.7998 (tp40) REVERT: G 169 LYS cc_start: 0.8534 (ptpp) cc_final: 0.8278 (ptpp) REVERT: G 172 LYS cc_start: 0.7330 (mtmm) cc_final: 0.6887 (mtmm) REVERT: G 174 GLU cc_start: 0.6449 (mp0) cc_final: 0.6045 (mp0) REVERT: G 192 ASN cc_start: 0.8554 (m-40) cc_final: 0.8004 (m-40) REVERT: G 206 CYS cc_start: 0.7451 (p) cc_final: 0.6218 (p) REVERT: G 212 ASN cc_start: 0.8486 (m-40) cc_final: 0.8265 (m-40) REVERT: G 217 ASP cc_start: 0.7721 (t0) cc_final: 0.7445 (t0) REVERT: G 227 ARG cc_start: 0.7377 (mmp80) cc_final: 0.6813 (mmp80) REVERT: G 230 TYR cc_start: 0.7369 (m-80) cc_final: 0.7064 (m-80) REVERT: G 258 LEU cc_start: 0.7842 (mp) cc_final: 0.6973 (mm) REVERT: G 262 GLN cc_start: 0.7511 (mp10) cc_final: 0.6636 (mp10) REVERT: G 263 THR cc_start: 0.8097 (p) cc_final: 0.7806 (p) REVERT: G 264 ASN cc_start: 0.8137 (m-40) cc_final: 0.7727 (m110) REVERT: G 275 LEU cc_start: 0.7463 (pp) cc_final: 0.7047 (mt) REVERT: G 299 ASN cc_start: 0.8597 (m110) cc_final: 0.8228 (m110) REVERT: G 303 GLU cc_start: 0.7986 (tm-30) cc_final: 0.7654 (tm-30) REVERT: G 308 MET cc_start: 0.6636 (mpp) cc_final: 0.6220 (mpp) REVERT: G 309 VAL cc_start: 0.8476 (p) cc_final: 0.7886 (m) REVERT: G 311 CYS cc_start: 0.8588 (m) cc_final: 0.8275 (m) REVERT: G 312 ASP cc_start: 0.8089 (t0) cc_final: 0.7418 (t0) REVERT: G 315 HIS cc_start: 0.8317 (m90) cc_final: 0.7823 (m-70) REVERT: G 317 LYS cc_start: 0.7921 (mttm) cc_final: 0.7589 (mttm) REVERT: G 321 CYS cc_start: 0.8018 (t) cc_final: 0.7115 (t) REVERT: G 322 CYS cc_start: 0.6553 (t) cc_final: 0.5249 (t) REVERT: G 345 ARG cc_start: 0.7920 (mmm160) cc_final: 0.7174 (tpp-160) REVERT: G 347 ILE cc_start: 0.7876 (pt) cc_final: 0.7367 (pt) REVERT: G 348 GLN cc_start: 0.8072 (pt0) cc_final: 0.7576 (mp10) REVERT: G 363 TYR cc_start: 0.7338 (m-80) cc_final: 0.6975 (m-80) REVERT: G 369 VAL cc_start: 0.8402 (t) cc_final: 0.8104 (p) REVERT: G 378 GLN cc_start: 0.8114 (mm110) cc_final: 0.7790 (mm110) REVERT: G 382 CYS cc_start: 0.7308 (p) cc_final: 0.7003 (p) REVERT: G 383 MET cc_start: 0.7326 (mmm) cc_final: 0.7072 (tpp) REVERT: G 386 ASN cc_start: 0.7486 (t0) cc_final: 0.7077 (t0) REVERT: G 390 ILE cc_start: 0.7633 (tp) cc_final: 0.7333 (tp) REVERT: G 397 LEU cc_start: 0.8523 (mt) cc_final: 0.8207 (mt) REVERT: G 398 ASP cc_start: 0.8163 (t0) cc_final: 0.7636 (t0) REVERT: G 400 LYS cc_start: 0.8303 (mtmm) cc_final: 0.7932 (mtmm) REVERT: G 404 MET cc_start: 0.8814 (mtm) cc_final: 0.8602 (mtt) REVERT: G 407 LYS cc_start: 0.8473 (mmmt) cc_final: 0.7922 (mttp) REVERT: G 408 ARG cc_start: 0.7940 (ttm110) cc_final: 0.7574 (ttm110) REVERT: G 428 ARG cc_start: 0.7603 (tpt90) cc_final: 0.7165 (tpt90) REVERT: G 431 MET cc_start: 0.7756 (mmp) cc_final: 0.7437 (mmp) REVERT: G 440 GLU cc_start: 0.7975 (mt-10) cc_final: 0.7529 (mt-10) REVERT: P 11 GLN cc_start: 0.7125 (tt0) cc_final: 0.6335 (tm-30) REVERT: P 14 ASN cc_start: 0.8294 (m110) cc_final: 0.7593 (m110) REVERT: P 24 ILE cc_start: 0.8350 (pt) cc_final: 0.8029 (pt) REVERT: P 40 SER cc_start: 0.7929 (t) cc_final: 0.7702 (t) REVERT: P 47 ILE cc_start: 0.8368 (tt) cc_final: 0.8115 (tt) REVERT: P 53 GLU cc_start: 0.4757 (tm-30) cc_final: 0.4532 (tm-30) REVERT: P 59 TYR cc_start: 0.7607 (m-80) cc_final: 0.7267 (m-80) REVERT: P 64 ILE cc_start: 0.7564 (mm) cc_final: 0.6667 (mm) REVERT: P 73 MET cc_start: 0.8266 (mmt) cc_final: 0.7480 (mmt) REVERT: P 74 ASP cc_start: 0.8207 (m-30) cc_final: 0.7899 (m-30) REVERT: P 84 ILE cc_start: 0.8039 (tt) cc_final: 0.7727 (tt) REVERT: P 86 ARG cc_start: 0.8024 (tpp80) cc_final: 0.7762 (tpp80) REVERT: P 89 ASN cc_start: 0.8488 (m-40) cc_final: 0.7830 (m-40) REVERT: P 99 ASN cc_start: 0.7512 (m-40) cc_final: 0.6835 (m110) REVERT: P 122 LYS cc_start: 0.8179 (tttm) cc_final: 0.7909 (tttm) REVERT: P 131 GLN cc_start: 0.6073 (tt0) cc_final: 0.5754 (tt0) REVERT: P 134 GLN cc_start: 0.6754 (mm110) cc_final: 0.6459 (mm110) REVERT: P 145 SER cc_start: 0.7976 (t) cc_final: 0.7550 (t) REVERT: P 147 MET cc_start: 0.7300 (tmm) cc_final: 0.6793 (tmm) REVERT: P 154 LYS cc_start: 0.7884 (mmmt) cc_final: 0.7292 (mmmt) REVERT: P 164 MET cc_start: 0.7476 (mpp) cc_final: 0.6694 (pmm) REVERT: P 165 ASN cc_start: 0.7081 (t0) cc_final: 0.5318 (t160) REVERT: P 179 VAL cc_start: 0.8019 (t) cc_final: 0.7761 (t) REVERT: P 181 GLU cc_start: 0.7714 (tt0) cc_final: 0.7407 (tt0) REVERT: P 184 ASN cc_start: 0.7927 (m-40) cc_final: 0.7258 (t0) REVERT: P 194 GLU cc_start: 0.8188 (mp0) cc_final: 0.7981 (mp0) REVERT: P 198 GLU cc_start: 0.6495 (pt0) cc_final: 0.5684 (pt0) REVERT: P 202 ILE cc_start: 0.5998 (mt) cc_final: 0.5595 (mt) REVERT: P 216 LYS cc_start: 0.8841 (ptpt) cc_final: 0.8341 (ptpt) REVERT: P 256 ASN cc_start: 0.8973 (m-40) cc_final: 0.8362 (m110) REVERT: P 257 MET cc_start: 0.7239 (mmp) cc_final: 0.6988 (mmp) REVERT: P 262 ARG cc_start: 0.8171 (mtp85) cc_final: 0.7778 (mmm160) REVERT: P 264 HIS cc_start: 0.7707 (p-80) cc_final: 0.6926 (p-80) REVERT: P 289 LEU cc_start: 0.8508 (mt) cc_final: 0.8163 (mt) REVERT: P 300 MET cc_start: 0.7048 (mtm) cc_final: 0.6815 (mtm) REVERT: P 320 ARG cc_start: 0.7188 (mmm160) cc_final: 0.6941 (mmm160) REVERT: P 323 MET cc_start: 0.7469 (mmp) cc_final: 0.5915 (mmt) REVERT: P 325 GLU cc_start: 0.8017 (pt0) cc_final: 0.7585 (pt0) REVERT: P 327 ASP cc_start: 0.8359 (m-30) cc_final: 0.7897 (m-30) REVERT: P 330 MET cc_start: 0.8394 (mmp) cc_final: 0.7504 (mmp) REVERT: P 334 GLN cc_start: 0.8407 (pt0) cc_final: 0.7523 (pt0) REVERT: P 343 GLU cc_start: 0.7509 (pp20) cc_final: 0.6999 (pp20) REVERT: P 345 ILE cc_start: 0.8630 (tp) cc_final: 0.8392 (tp) REVERT: P 348 ASN cc_start: 0.7920 (m-40) cc_final: 0.7582 (m110) REVERT: P 359 ARG cc_start: 0.7206 (ttm-80) cc_final: 0.6899 (ttm-80) REVERT: P 362 LYS cc_start: 0.7476 (mmmt) cc_final: 0.6500 (mmmt) REVERT: P 363 MET cc_start: 0.7566 (mmm) cc_final: 0.7053 (mmm) REVERT: P 364 SER cc_start: 0.7453 (m) cc_final: 0.6944 (p) REVERT: P 375 GLN cc_start: 0.7833 (pt0) cc_final: 0.7114 (pt0) REVERT: P 379 LYS cc_start: 0.8637 (mmtp) cc_final: 0.8157 (mmtp) REVERT: P 388 MET cc_start: 0.7955 (mtp) cc_final: 0.7446 (tpp) REVERT: P 392 LYS cc_start: 0.7966 (mtmm) cc_final: 0.7268 (mtmm) REVERT: P 395 LEU cc_start: 0.8306 (mt) cc_final: 0.7991 (mt) REVERT: P 397 TRP cc_start: 0.6667 (m100) cc_final: 0.6291 (m-10) REVERT: P 404 ASP cc_start: 0.7770 (t0) cc_final: 0.7487 (t0) REVERT: P 407 GLU cc_start: 0.8292 (mt-10) cc_final: 0.7598 (mt-10) REVERT: P 414 ASN cc_start: 0.8361 (m-40) cc_final: 0.7877 (m-40) REVERT: P 423 GLN cc_start: 0.7950 (tp40) cc_final: 0.7568 (tp40) REVERT: Z 32 LYS cc_start: 0.6998 (mmmt) cc_final: 0.6400 (mmtp) REVERT: Z 60 GLN cc_start: 0.7888 (mt0) cc_final: 0.7346 (tm-30) REVERT: Z 178 GLU cc_start: 0.7773 (mt-10) cc_final: 0.7328 (mt-10) REVERT: Z 180 MET cc_start: 0.5982 (mmm) cc_final: 0.5308 (mpp) REVERT: Z 197 MET cc_start: 0.6511 (pmm) cc_final: 0.6045 (pmm) REVERT: Z 240 LYS cc_start: 0.8556 (mtpp) cc_final: 0.8356 (mtpp) REVERT: Z 277 TYR cc_start: 0.6554 (m-80) cc_final: 0.5831 (m-80) REVERT: Z 282 MET cc_start: 0.7547 (tpt) cc_final: 0.7245 (tpt) REVERT: Z 311 GLU cc_start: 0.8323 (mp0) cc_final: 0.7723 (mp0) REVERT: H 11 GLN cc_start: 0.7571 (tp-100) cc_final: 0.6938 (tp-100) REVERT: H 16 MET cc_start: 0.7838 (mtm) cc_final: 0.6644 (mmp) REVERT: H 23 LEU cc_start: 0.8279 (tp) cc_final: 0.7663 (tp) REVERT: H 31 GLN cc_start: 0.7898 (mt0) cc_final: 0.7323 (mt0) REVERT: H 73 PHE cc_start: 0.8019 (m-80) cc_final: 0.7520 (m-80) REVERT: H 75 ASP cc_start: 0.6479 (t0) cc_final: 0.6041 (t0) REVERT: H 83 GLU cc_start: 0.7770 (tm-30) cc_final: 0.7477 (tm-30) REVERT: H 84 ILE cc_start: 0.8854 (mt) cc_final: 0.8530 (mt) REVERT: H 93 PHE cc_start: 0.7041 (m-80) cc_final: 0.6742 (m-80) REVERT: H 96 GLU cc_start: 0.7044 (tt0) cc_final: 0.6390 (tt0) REVERT: H 104 ASP cc_start: 0.5201 (t0) cc_final: 0.4963 (t0) REVERT: H 120 ILE cc_start: 0.8508 (tp) cc_final: 0.8255 (tp) REVERT: H 162 ARG cc_start: 0.8177 (mmm160) cc_final: 0.7291 (tpp80) REVERT: H 174 GLU cc_start: 0.6678 (mp0) cc_final: 0.6362 (mp0) REVERT: H 203 HIS cc_start: 0.7809 (m90) cc_final: 0.7504 (m90) REVERT: H 206 CYS cc_start: 0.7787 (p) cc_final: 0.6319 (p) REVERT: H 208 PHE cc_start: 0.7354 (m-80) cc_final: 0.6766 (m-80) REVERT: H 213 GLU cc_start: 0.8021 (pt0) cc_final: 0.6764 (pt0) REVERT: H 232 ASN cc_start: 0.8738 (m110) cc_final: 0.7366 (m110) REVERT: H 235 ARG cc_start: 0.8119 (mtt-85) cc_final: 0.7635 (mtt-85) REVERT: H 257 ASP cc_start: 0.7363 (p0) cc_final: 0.7053 (p0) REVERT: H 260 GLU cc_start: 0.7461 (mm-30) cc_final: 0.7239 (mm-30) REVERT: H 286 LYS cc_start: 0.8116 (tttt) cc_final: 0.7621 (ttmm) REVERT: H 290 GLU cc_start: 0.6444 (tm-30) cc_final: 0.6181 (tm-30) REVERT: H 291 GLN cc_start: 0.7858 (tp40) cc_final: 0.7645 (tm-30) REVERT: H 309 VAL cc_start: 0.8180 (p) cc_final: 0.7925 (m) REVERT: H 312 ASP cc_start: 0.8290 (t0) cc_final: 0.7874 (t70) REVERT: H 317 LYS cc_start: 0.7865 (mttm) cc_final: 0.6688 (mmmm) REVERT: H 319 MET cc_start: 0.6093 (mmm) cc_final: 0.5601 (mmm) REVERT: H 332 LYS cc_start: 0.6367 (mtmt) cc_final: 0.6032 (mtmt) REVERT: H 401 PHE cc_start: 0.8328 (t80) cc_final: 0.7562 (t80) REVERT: H 405 TYR cc_start: 0.7723 (t80) cc_final: 0.7162 (t80) REVERT: H 407 LYS cc_start: 0.8958 (mmmt) cc_final: 0.8490 (mmmt) REVERT: H 421 GLU cc_start: 0.5626 (tp30) cc_final: 0.5259 (tp30) REVERT: H 430 ASP cc_start: 0.8230 (t0) cc_final: 0.7817 (t0) REVERT: H 431 MET cc_start: 0.8032 (mmp) cc_final: 0.7825 (mmp) REVERT: H 434 LEU cc_start: 0.8488 (pp) cc_final: 0.8112 (pp) REVERT: R 3 GLU cc_start: 0.6527 (mp0) cc_final: 0.6091 (mp0) REVERT: R 15 GLN cc_start: 0.8212 (mm-40) cc_final: 0.7680 (mt0) REVERT: R 66 VAL cc_start: 0.7583 (t) cc_final: 0.6986 (p) REVERT: R 73 MET cc_start: 0.7825 (mmt) cc_final: 0.7269 (mmt) REVERT: R 74 ASP cc_start: 0.8048 (m-30) cc_final: 0.7750 (m-30) REVERT: R 108 GLU cc_start: 0.8101 (mm-30) cc_final: 0.7479 (mm-30) REVERT: R 119 VAL cc_start: 0.7971 (p) cc_final: 0.7645 (m) REVERT: R 123 GLU cc_start: 0.8503 (mm-30) cc_final: 0.7626 (mm-30) REVERT: R 143 THR cc_start: 0.8373 (t) cc_final: 0.7474 (t) REVERT: R 149 THR cc_start: 0.8522 (p) cc_final: 0.8015 (t) REVERT: R 158 GLU cc_start: 0.7974 (tt0) cc_final: 0.7714 (tt0) REVERT: R 164 MET cc_start: 0.5186 (mtp) cc_final: 0.4777 (mtp) REVERT: R 166 THR cc_start: 0.7760 (p) cc_final: 0.7524 (p) REVERT: R 174 LYS cc_start: 0.7739 (mmtm) cc_final: 0.7099 (mmtm) REVERT: R 188 SER cc_start: 0.8258 (m) cc_final: 0.7982 (p) REVERT: R 213 ARG cc_start: 0.7124 (mtm110) cc_final: 0.6721 (mtm110) REVERT: R 216 LYS cc_start: 0.8412 (ptmt) cc_final: 0.8012 (ptmt) REVERT: R 217 LEU cc_start: 0.7847 (mm) cc_final: 0.7581 (mm) REVERT: R 232 THR cc_start: 0.8393 (p) cc_final: 0.7696 (m) REVERT: R 264 HIS cc_start: 0.8044 (p-80) cc_final: 0.6979 (p-80) REVERT: R 267 MET cc_start: 0.7263 (ttp) cc_final: 0.6980 (ttp) REVERT: R 273 LEU cc_start: 0.8143 (mt) cc_final: 0.7890 (mt) REVERT: R 281 TYR cc_start: 0.7737 (m-80) cc_final: 0.7291 (t80) REVERT: R 282 ARG cc_start: 0.7431 (ttt90) cc_final: 0.6133 (ttt90) REVERT: R 288 GLU cc_start: 0.6555 (tt0) cc_final: 0.5665 (tt0) REVERT: R 293 MET cc_start: 0.7581 (mtp) cc_final: 0.6936 (mtp) REVERT: R 297 LYS cc_start: 0.7921 (mmmt) cc_final: 0.7421 (mmmt) REVERT: R 298 ASN cc_start: 0.8385 (t0) cc_final: 0.8076 (t0) REVERT: R 300 MET cc_start: 0.7640 (mtm) cc_final: 0.6980 (mtm) REVERT: R 309 ARG cc_start: 0.6867 (mtt90) cc_final: 0.6405 (mtp85) REVERT: R 313 VAL cc_start: 0.7419 (t) cc_final: 0.6962 (p) REVERT: R 320 ARG cc_start: 0.7307 (ttt-90) cc_final: 0.6822 (ttt-90) REVERT: R 326 VAL cc_start: 0.9069 (t) cc_final: 0.8597 (t) REVERT: R 327 ASP cc_start: 0.8771 (m-30) cc_final: 0.8467 (m-30) REVERT: R 328 GLU cc_start: 0.6956 (pp20) cc_final: 0.6511 (pp20) REVERT: R 330 MET cc_start: 0.8430 (mmp) cc_final: 0.8064 (mmp) REVERT: R 338 SER cc_start: 0.7547 (m) cc_final: 0.7206 (t) REVERT: R 348 ASN cc_start: 0.8425 (m-40) cc_final: 0.7924 (m-40) REVERT: R 350 LYS cc_start: 0.8011 (tmtt) cc_final: 0.7705 (tmtt) REVERT: R 359 ARG cc_start: 0.7716 (ttm-80) cc_final: 0.7352 (ttm-80) REVERT: R 362 LYS cc_start: 0.8226 (mmmt) cc_final: 0.7187 (mmmt) REVERT: R 363 MET cc_start: 0.8115 (mmm) cc_final: 0.7798 (mmp) REVERT: R 367 PHE cc_start: 0.8239 (t80) cc_final: 0.7605 (t80) REVERT: R 390 ARG cc_start: 0.8193 (ttt180) cc_final: 0.7906 (ttt180) REVERT: R 392 LYS cc_start: 0.7634 (mtmm) cc_final: 0.7186 (mmtm) REVERT: R 397 TRP cc_start: 0.6972 (m100) cc_final: 0.5917 (m100) REVERT: R 398 TYR cc_start: 0.7582 (m-10) cc_final: 0.7254 (m-10) REVERT: R 404 ASP cc_start: 0.8118 (t0) cc_final: 0.7770 (t0) REVERT: R 415 MET cc_start: 0.8126 (mmm) cc_final: 0.7414 (mmm) REVERT: R 418 LEU cc_start: 0.7951 (pp) cc_final: 0.7600 (pp) REVERT: a 32 LYS cc_start: 0.7370 (mmmt) cc_final: 0.6465 (tptm) REVERT: a 36 GLU cc_start: 0.6909 (mt-10) cc_final: 0.6383 (mt-10) REVERT: a 44 LYS cc_start: 0.7082 (tmtt) cc_final: 0.6695 (tmtt) REVERT: a 64 ASP cc_start: 0.7814 (p0) cc_final: 0.7438 (p0) REVERT: a 67 LYS cc_start: 0.6687 (tptt) cc_final: 0.6144 (pttm) REVERT: a 95 MET cc_start: 0.7240 (mtt) cc_final: 0.6877 (mtt) REVERT: a 103 GLU cc_start: 0.7209 (tp30) cc_final: 0.6641 (tp30) REVERT: a 131 LYS cc_start: 0.6843 (mtmm) cc_final: 0.6125 (mtmm) REVERT: a 178 GLU cc_start: 0.7757 (mt-10) cc_final: 0.7227 (mt-10) REVERT: a 268 LEU cc_start: 0.8518 (mt) cc_final: 0.8262 (mt) REVERT: a 282 MET cc_start: 0.7955 (tpt) cc_final: 0.7330 (tpt) REVERT: a 311 GLU cc_start: 0.8470 (pm20) cc_final: 0.8089 (pm20) outliers start: 3 outliers final: 1 residues processed: 3785 average time/residue: 0.7997 time to fit residues: 5104.5951 Evaluate side-chains 3674 residues out of total 9162 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3673 time to evaluate : 6.836 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1044 random chunks: chunk 507 optimal weight: 6.9990 chunk 657 optimal weight: 5.9990 chunk 882 optimal weight: 0.2980 chunk 253 optimal weight: 4.9990 chunk 763 optimal weight: 7.9990 chunk 122 optimal weight: 1.9990 chunk 230 optimal weight: 0.6980 chunk 829 optimal weight: 8.9990 chunk 347 optimal weight: 1.9990 chunk 851 optimal weight: 2.9990 chunk 105 optimal weight: 6.9990 overall best weight: 1.5986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 291 GLN I 306 ASN ** I 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 348 GLN ** Q 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 375 GLN Y 211 ASN ** A 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 89 ASN J 131 GLN ** J 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 292 GLN ** J 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 86 GLN ** B 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 203 HIS B 262 GLN B 348 GLN ** K 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 334 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 117 ASN ** T 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 327 ASN ** C 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 262 GLN ** C 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 307 GLN L 6 HIS ** L 292 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 348 ASN ** L 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 63 ASN ** U 86 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 291 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 299 ASN M 99 ASN ** M 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 335 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 8 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 107 ASN E 222 ASN E 335 ASN ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 256 ASN ** N 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 320 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 262 GLN ** O 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 99 ASN O 292 GLN ** X 117 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 214 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 28 HIS ** H 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 262 GLN ** R 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 89 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 53 GLN a 58 GLN Total number of N/Q/H flips: 32 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4275 r_free = 0.4275 target = 0.150079 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 49)----------------| | r_work = 0.3896 r_free = 0.3896 target = 0.121110 restraints weight = 146099.320| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 39)----------------| | r_work = 0.3968 r_free = 0.3968 target = 0.125975 restraints weight = 81128.081| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 40)----------------| | r_work = 0.4015 r_free = 0.4015 target = 0.129286 restraints weight = 50030.301| |-----------------------------------------------------------------------------| r_work (final): 0.4008 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6810 moved from start: 0.6751 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.060 85869 Z= 0.199 Angle : 0.649 16.087 116442 Z= 0.326 Chirality : 0.047 0.355 12780 Planarity : 0.004 0.078 15093 Dihedral : 8.888 175.065 12231 Min Nonbonded Distance : 2.036 Molprobity Statistics. All-atom Clashscore : 18.10 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.78 % Favored : 96.22 % Rotamer: Outliers : 0.03 % Allowed : 0.31 % Favored : 99.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.67 (0.08), residues: 10530 helix: -0.14 (0.08), residues: 4149 sheet: -0.28 (0.12), residues: 1809 loop : -0.64 (0.09), residues: 4572 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.037 0.002 TRP J 397 HIS 0.012 0.001 HIS D 8 PHE 0.045 0.002 PHE B 147 TYR 0.040 0.002 TYR F 438 ARG 0.014 0.000 ARG Q 213 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 57632.63 seconds wall clock time: 990 minutes 5.87 seconds (59405.87 seconds total)