Starting phenix.real_space_refine on Tue Feb 20 07:32:41 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixd_35791/02_2024/8ixd_35791_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixd_35791/02_2024/8ixd_35791.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/8ixd_35791/02_2024/8ixd_35791.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixd_35791/02_2024/8ixd_35791.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixd_35791/02_2024/8ixd_35791_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ixd_35791/02_2024/8ixd_35791_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= 0.006 sd= 0.060 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 558 5.16 5 C 52623 2.51 5 N 14382 2.21 5 O 16452 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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 213": "OE1" <-> "OE2" Residue "I TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 303": "OE1" <-> "OE2" Residue "I TYR 325": "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 "Q ARG 46": "NH1" <-> "NH2" Residue "Q TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "Q PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 288": "OE1" <-> "OE2" Residue "Q ARG 320": "NH1" <-> "NH2" Residue "Q ARG 359": "NH1" <-> "NH2" Residue "Q PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 391": "NH1" <-> "NH2" Residue "Y TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 244": "OE1" <-> "OE2" Residue "Y PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 213": "OE1" <-> "OE2" Residue "A TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 303": "OE1" <-> "OE2" Residue "A TYR 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 349": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 410": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 46": "NH1" <-> "NH2" Residue "J TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "J PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 288": "OE1" <-> "OE2" Residue "J ARG 320": "NH1" <-> "NH2" Residue "J ARG 359": "NH1" <-> "NH2" Residue "J PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 391": "NH1" <-> "NH2" Residue "S TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 244": "OE1" <-> "OE2" Residue "S PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 213": "OE1" <-> "OE2" Residue "B TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 303": "OE1" <-> "OE2" Residue "B TYR 325": "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 "K ARG 46": "NH1" <-> "NH2" Residue "K TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "K PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 288": "OE1" <-> "OE2" Residue "K ARG 320": "NH1" <-> "NH2" Residue "K ARG 359": "NH1" <-> "NH2" Residue "K PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 391": "NH1" <-> "NH2" Residue "T TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 244": "OE1" <-> "OE2" Residue "T PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 213": "OE1" <-> "OE2" Residue "C TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 303": "OE1" <-> "OE2" Residue "C TYR 325": "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 "L ARG 46": "NH1" <-> "NH2" Residue "L TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "L PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 288": "OE1" <-> "OE2" Residue "L ARG 320": "NH1" <-> "NH2" Residue "L ARG 359": "NH1" <-> "NH2" Residue "L PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 391": "NH1" <-> "NH2" Residue "U TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 244": "OE1" <-> "OE2" Residue "U PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 213": "OE1" <-> "OE2" Residue "D TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 303": "OE1" <-> "OE2" Residue "D TYR 325": "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 "M ARG 46": "NH1" <-> "NH2" Residue "M TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "M PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 288": "OE1" <-> "OE2" Residue "M ARG 320": "NH1" <-> "NH2" Residue "M ARG 359": "NH1" <-> "NH2" Residue "M PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 391": "NH1" <-> "NH2" Residue "V TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 244": "OE1" <-> "OE2" Residue "V PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 213": "OE1" <-> "OE2" Residue "E TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 303": "OE1" <-> "OE2" Residue "E TYR 325": "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 "N ARG 46": "NH1" <-> "NH2" Residue "N TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "N PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 288": "OE1" <-> "OE2" Residue "N ARG 320": "NH1" <-> "NH2" Residue "N ARG 359": "NH1" <-> "NH2" Residue "N PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 391": "NH1" <-> "NH2" Residue "W TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 244": "OE1" <-> "OE2" Residue "W PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 213": "OE1" <-> "OE2" Residue "F TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 303": "OE1" <-> "OE2" Residue "F TYR 325": "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 "O ARG 46": "NH1" <-> "NH2" Residue "O TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "O PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 288": "OE1" <-> "OE2" Residue "O ARG 320": "NH1" <-> "NH2" Residue "O ARG 359": "NH1" <-> "NH2" Residue "O PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 391": "NH1" <-> "NH2" Residue "X TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 244": "OE1" <-> "OE2" Residue "X PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 213": "OE1" <-> "OE2" Residue "G TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 303": "OE1" <-> "OE2" Residue "G TYR 325": "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 "P ARG 46": "NH1" <-> "NH2" Residue "P TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "P PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 288": "OE1" <-> "OE2" Residue "P ARG 320": "NH1" <-> "NH2" Residue "P ARG 359": "NH1" <-> "NH2" Residue "P PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 391": "NH1" <-> "NH2" Residue "Z TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 244": "OE1" <-> "OE2" Residue "Z PHE 318": "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 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 175": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 213": "OE1" <-> "OE2" Residue "H TYR 268": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 273": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 303": "OE1" <-> "OE2" Residue "H TYR 325": "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 "R ARG 46": "NH1" <-> "NH2" Residue "R TYR 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" 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 GLU 205": "OE1" <-> "OE2" Residue "R PHE 260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 281": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 288": "OE1" <-> "OE2" Residue "R ARG 320": "NH1" <-> "NH2" Residue "R ARG 359": "NH1" <-> "NH2" Residue "R PHE 367": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 385": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 391": "NH1" <-> "NH2" Residue "a TYR 46": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 116": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 135": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 244": "OE1" <-> "OE2" Residue "a PHE 318": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.20s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 84096 Number of models: 1 Model: "" Number of chains: 45 Chain: "I" Number of atoms: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 3351 Number of conformers: 1 Conformer: "" Number of residues, atoms: 427, 3351 Classifications: {'peptide': 427} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 407} 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: 32.49, per 1000 atoms: 0.39 Number of scatterers: 84096 At special positions: 0 Unit cell: (196.382, 151.57, 293.914, 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 558 16.00 P 81 15.00 O 16452 8.00 N 14382 7.00 C 52623 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: 26.90 Conformation dependent library (CDL) restraints added in 11.2 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: 414 helices and 90 sheets defined 39.8% alpha, 13.7% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 12.58 Creating SS restraints... Processing helix chain 'I' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA I 19 " --> pdb=" O GLN I 15 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N GLU I 22 " --> pdb=" O ASN I 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU I 23 " --> pdb=" O ALA I 19 " (cutoff:3.500A) Processing helix chain 'I' and resid 81 through 85 Processing helix chain 'I' and resid 121 through 134 removed outlier: 3.758A pdb=" N ASP I 126 " --> pdb=" O ASP I 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN I 134 " --> pdb=" O LYS I 130 " (cutoff:3.500A) Processing helix chain 'I' and resid 154 through 164 Processing helix chain 'I' and resid 189 through 203 removed outlier: 3.743A pdb=" N HIS I 198 " --> pdb=" O ILE I 194 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N THR I 199 " --> pdb=" O LEU I 195 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N GLU I 202 " --> pdb=" O HIS I 198 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N HIS I 203 " --> pdb=" O THR I 199 " (cutoff:3.500A) Processing helix chain 'I' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG I 221 " --> pdb=" O ASP I 217 " (cutoff:3.500A) Processing helix chain 'I' and resid 230 through 244 removed outlier: 3.870A pdb=" N LEU I 236 " --> pdb=" O ASN I 232 " (cutoff:3.500A) Processing helix chain 'I' and resid 246 through 249 No H-bonds generated for 'chain 'I' and resid 246 through 249' Processing helix chain 'I' and resid 258 through 263 removed outlier: 3.566A pdb=" N PHE I 261 " --> pdb=" O LEU I 258 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR I 263 " --> pdb=" O GLU I 260 " (cutoff:3.500A) Processing helix chain 'I' and resid 284 through 289 removed outlier: 3.742A pdb=" N TYR I 288 " --> pdb=" O ALA I 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.676A pdb=" N ALA I 336 " --> pdb=" O LYS I 332 " (cutoff:3.500A) Processing helix chain 'I' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU I 403 " --> pdb=" O HIS I 399 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET I 404 " --> pdb=" O LYS I 400 " (cutoff:3.500A) Processing helix chain 'I' and resid 412 through 417 Processing helix chain 'I' and resid 421 through 441 Processing helix chain 'Q' and resid 11 through 28 Processing helix chain 'Q' and resid 42 through 45 No H-bonds generated for 'chain 'Q' and resid 42 through 45' 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 71 through 77 Processing helix chain 'Q' and resid 101 through 106 Processing helix chain 'Q' and resid 110 through 126 removed outlier: 4.202A pdb=" N ASP Q 114 " --> pdb=" O ALA Q 110 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N SER Q 115 " --> pdb=" O GLU Q 111 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP Q 118 " --> pdb=" O ASP Q 114 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL Q 119 " --> pdb=" O SER Q 115 " (cutoff:3.500A) Processing helix chain 'Q' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE Q 152 " --> pdb=" O GLY Q 148 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER Q 153 " --> pdb=" O THR Q 149 " (cutoff:3.500A) Processing helix chain 'Q' and resid 181 through 195 removed outlier: 3.756A pdb=" N HIS Q 190 " --> pdb=" O THR Q 186 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLN Q 191 " --> pdb=" O LEU Q 187 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N GLU Q 194 " --> pdb=" O HIS Q 190 " (cutoff:3.500A) Processing helix chain 'Q' and resid 204 through 213 Processing helix chain 'Q' and resid 222 through 236 removed outlier: 3.617A pdb=" N LEU Q 228 " --> pdb=" O ASP Q 224 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N THR Q 232 " --> pdb=" O LEU Q 228 " (cutoff:3.500A) Processing helix chain 'Q' and resid 250 through 257 Processing helix chain 'Q' and resid 286 through 293 removed outlier: 3.669A pdb=" N GLN Q 291 " --> pdb=" O PRO Q 287 " (cutoff:3.500A) removed outlier: 3.624A 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: 3.728A pdb=" N LEU Q 331 " --> pdb=" O ASP Q 327 " (cutoff:3.500A) removed outlier: 3.937A 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: 3.685A pdb=" N LYS Q 379 " --> pdb=" O GLU Q 376 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG Q 380 " --> pdb=" O LEU Q 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU Q 383 " --> pdb=" O ARG Q 380 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N THR Q 386 " --> pdb=" O GLU Q 383 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALA Q 387 " --> pdb=" O GLN Q 384 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N MET Q 388 " --> pdb=" O PHE Q 385 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE Q 389 " --> pdb=" O THR Q 386 " (cutoff:3.500A) Processing helix chain 'Q' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'Y' and resid 68 through 75 Processing helix chain 'Y' and resid 92 through 95 No H-bonds generated for 'chain 'Y' and resid 92 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: 3.911A pdb=" N ILE Y 254 " --> pdb=" O ALA Y 251 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASN Y 255 " --> pdb=" O LYS Y 252 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LEU Y 258 " --> pdb=" O ASN Y 255 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER Y 259 " --> pdb=" O LYS Y 256 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N VAL Y 264 " --> pdb=" O LEU Y 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE Y 265 " --> pdb=" O GLY Y 262 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU Y 268 " --> pdb=" O ILE Y 265 " (cutoff:3.500A) removed outlier: 3.910A 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 Processing helix chain 'Y' and resid 287 through 291 Processing helix chain 'Y' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU Y 309 " --> pdb=" O SER Y 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER Y 310 " --> pdb=" O TYR Y 307 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLU Y 311 " --> pdb=" O ASN Y 308 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N THR Y 312 " --> pdb=" O GLU Y 309 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LYS Y 313 " --> pdb=" O SER Y 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU Y 317 " --> pdb=" O SER Y 314 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE Y 318 " --> pdb=" O THR Y 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG Y 321 " --> pdb=" O PHE Y 318 " (cutoff:3.500A) Processing helix chain 'A' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA A 19 " --> pdb=" O GLN A 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU A 22 " --> pdb=" O ASN A 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU A 23 " --> pdb=" O ALA A 19 " (cutoff:3.500A) Processing helix chain 'A' and resid 81 through 85 Processing helix chain 'A' and resid 121 through 134 removed outlier: 3.759A pdb=" N ASP A 126 " --> pdb=" O ASP A 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN A 134 " --> pdb=" O LYS A 130 " (cutoff:3.500A) Processing helix chain 'A' and resid 154 through 164 Processing helix chain 'A' and resid 189 through 203 removed outlier: 3.744A pdb=" N HIS A 198 " --> pdb=" O ILE A 194 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N THR A 199 " --> pdb=" O LEU A 195 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N GLU A 202 " --> pdb=" O HIS A 198 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS A 203 " --> pdb=" O THR A 199 " (cutoff:3.500A) Processing helix chain 'A' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG A 221 " --> pdb=" O ASP A 217 " (cutoff:3.500A) Processing helix chain 'A' and resid 230 through 244 removed outlier: 3.870A pdb=" N LEU A 236 " --> pdb=" O ASN A 232 " (cutoff:3.500A) Processing helix chain 'A' and resid 246 through 249 No H-bonds generated for 'chain 'A' and resid 246 through 249' Processing helix chain 'A' and resid 258 through 263 removed outlier: 3.566A pdb=" N PHE A 261 " --> pdb=" O LEU A 258 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR A 263 " --> pdb=" O GLU A 260 " (cutoff:3.500A) Processing helix chain 'A' and resid 284 through 289 removed outlier: 3.742A pdb=" N TYR A 288 " --> pdb=" O ALA A 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.676A pdb=" N ALA A 336 " --> pdb=" O LYS A 332 " (cutoff:3.500A) Processing helix chain 'A' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU A 403 " --> pdb=" O HIS A 399 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET A 404 " --> pdb=" O LYS A 400 " (cutoff:3.500A) Processing helix chain 'A' and resid 412 through 417 Processing helix chain 'A' and resid 421 through 441 Processing helix chain 'J' and resid 11 through 28 Processing helix chain 'J' and resid 42 through 45 No H-bonds generated for 'chain 'J' and resid 42 through 45' 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 71 through 77 Processing helix chain 'J' and resid 101 through 106 Processing helix chain 'J' and resid 110 through 126 removed outlier: 4.202A pdb=" N ASP J 114 " --> pdb=" O ALA J 110 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N SER J 115 " --> pdb=" O GLU J 111 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP J 118 " --> pdb=" O ASP J 114 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N VAL J 119 " --> pdb=" O SER J 115 " (cutoff:3.500A) Processing helix chain 'J' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE J 152 " --> pdb=" O GLY J 148 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER J 153 " --> pdb=" O THR J 149 " (cutoff:3.500A) Processing helix chain 'J' and resid 181 through 195 removed outlier: 3.756A pdb=" N HIS J 190 " --> pdb=" O THR J 186 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLN J 191 " --> pdb=" O LEU J 187 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N GLU J 194 " --> pdb=" O HIS J 190 " (cutoff:3.500A) Processing helix chain 'J' and resid 204 through 213 Processing helix chain 'J' and resid 222 through 236 removed outlier: 3.617A pdb=" N LEU J 228 " --> pdb=" O ASP J 224 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N THR J 232 " --> pdb=" O LEU J 228 " (cutoff:3.500A) Processing helix chain 'J' and resid 250 through 257 Processing helix chain 'J' and resid 286 through 293 removed outlier: 3.668A pdb=" N GLN J 291 " --> pdb=" O PRO J 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.728A pdb=" N LEU J 331 " --> pdb=" O ASP J 327 " (cutoff:3.500A) removed outlier: 3.936A 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: 3.684A pdb=" N LYS J 379 " --> pdb=" O GLU J 376 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG J 380 " --> pdb=" O LEU J 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU J 383 " --> pdb=" O ARG J 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR J 386 " --> pdb=" O GLU J 383 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA J 387 " --> pdb=" O GLN J 384 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N MET J 388 " --> pdb=" O PHE J 385 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE J 389 " --> pdb=" O THR J 386 " (cutoff:3.500A) Processing helix chain 'J' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'S' and resid 68 through 75 Processing helix chain 'S' and resid 92 through 95 No H-bonds generated for 'chain 'S' and resid 92 through 95' Processing helix chain 'S' and resid 107 through 121 removed outlier: 3.500A pdb=" N SER S 121 " --> pdb=" O ASN S 117 " (cutoff:3.500A) 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: 3.911A pdb=" N ILE S 254 " --> pdb=" O ALA S 251 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASN S 255 " --> pdb=" O LYS S 252 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEU S 258 " --> pdb=" O ASN S 255 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER S 259 " --> pdb=" O LYS S 256 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N VAL S 264 " --> pdb=" O LEU S 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE S 265 " --> pdb=" O GLY S 262 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU S 268 " --> pdb=" O ILE S 265 " (cutoff:3.500A) removed outlier: 3.909A 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 Processing helix chain 'S' and resid 287 through 291 Processing helix chain 'S' and resid 306 through 323 removed outlier: 3.703A pdb=" N GLU S 309 " --> pdb=" O SER S 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER S 310 " --> pdb=" O TYR S 307 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLU S 311 " --> pdb=" O ASN S 308 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR S 312 " --> pdb=" O GLU S 309 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LYS S 313 " --> pdb=" O SER S 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU S 317 " --> pdb=" O SER S 314 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N PHE S 318 " --> pdb=" O THR S 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG S 321 " --> pdb=" O PHE S 318 " (cutoff:3.500A) Processing helix chain 'B' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA B 19 " --> pdb=" O GLN B 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU B 22 " --> pdb=" O ASN B 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU B 23 " --> pdb=" O ALA B 19 " (cutoff:3.500A) Processing helix chain 'B' and resid 81 through 85 Processing helix chain 'B' and resid 121 through 134 removed outlier: 3.758A pdb=" N ASP B 126 " --> pdb=" O ASP B 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN B 134 " --> pdb=" O LYS B 130 " (cutoff:3.500A) Processing helix chain 'B' and resid 154 through 164 Processing helix chain 'B' and resid 189 through 203 removed outlier: 3.744A pdb=" N HIS B 198 " --> pdb=" O ILE B 194 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N THR B 199 " --> pdb=" O LEU B 195 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N GLU B 202 " --> pdb=" O HIS B 198 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N HIS B 203 " --> pdb=" O THR B 199 " (cutoff:3.500A) Processing helix chain 'B' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG B 221 " --> pdb=" O ASP B 217 " (cutoff:3.500A) Processing helix chain 'B' and resid 230 through 244 removed outlier: 3.871A pdb=" N LEU B 236 " --> pdb=" O ASN B 232 " (cutoff:3.500A) Processing helix chain 'B' and resid 246 through 249 No H-bonds generated for 'chain 'B' and resid 246 through 249' Processing helix chain 'B' and resid 258 through 263 removed outlier: 3.565A pdb=" N PHE B 261 " --> pdb=" O LEU B 258 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR B 263 " --> pdb=" O GLU B 260 " (cutoff:3.500A) Processing helix chain 'B' and resid 284 through 289 removed outlier: 3.742A pdb=" N TYR B 288 " --> pdb=" O ALA B 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.677A pdb=" N ALA B 336 " --> pdb=" O LYS B 332 " (cutoff:3.500A) Processing helix chain 'B' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU B 403 " --> pdb=" O HIS B 399 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N MET B 404 " --> pdb=" O LYS B 400 " (cutoff:3.500A) Processing helix chain 'B' and resid 412 through 417 Processing helix chain 'B' and resid 421 through 441 Processing helix chain 'K' and resid 11 through 28 Processing helix chain 'K' and resid 42 through 45 No H-bonds generated for 'chain 'K' and resid 42 through 45' 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 71 through 77 Processing helix chain 'K' and resid 101 through 106 Processing helix chain 'K' and resid 110 through 126 removed outlier: 4.201A pdb=" N ASP K 114 " --> pdb=" O ALA K 110 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N SER K 115 " --> pdb=" O GLU K 111 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP K 118 " --> pdb=" O ASP K 114 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N VAL K 119 " --> pdb=" O SER K 115 " (cutoff:3.500A) Processing helix chain 'K' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE K 152 " --> pdb=" O GLY K 148 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N SER K 153 " --> pdb=" O THR K 149 " (cutoff:3.500A) Processing helix chain 'K' and resid 181 through 195 removed outlier: 3.756A pdb=" N HIS K 190 " --> pdb=" O THR K 186 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLN K 191 " --> pdb=" O LEU K 187 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N GLU K 194 " --> pdb=" O HIS K 190 " (cutoff:3.500A) Processing helix chain 'K' and resid 204 through 213 Processing helix chain 'K' and resid 222 through 236 removed outlier: 3.617A pdb=" N LEU K 228 " --> pdb=" O ASP K 224 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR K 232 " --> pdb=" O LEU K 228 " (cutoff:3.500A) Processing helix chain 'K' and resid 250 through 257 Processing helix chain 'K' and resid 286 through 293 removed outlier: 3.668A pdb=" N GLN K 291 " --> pdb=" O PRO K 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.728A pdb=" N LEU K 331 " --> pdb=" O ASP K 327 " (cutoff:3.500A) removed outlier: 3.937A 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: 3.684A pdb=" N LYS K 379 " --> pdb=" O GLU K 376 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG K 380 " --> pdb=" O LEU K 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU K 383 " --> pdb=" O ARG K 380 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N THR K 386 " --> pdb=" O GLU K 383 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA K 387 " --> pdb=" O GLN K 384 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N MET K 388 " --> pdb=" O PHE K 385 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE K 389 " --> pdb=" O THR K 386 " (cutoff:3.500A) Processing helix chain 'K' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'T' and resid 68 through 75 Processing helix chain 'T' and resid 92 through 95 No H-bonds generated for 'chain 'T' and resid 92 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: 3.911A pdb=" N ILE T 254 " --> pdb=" O ALA T 251 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASN T 255 " --> pdb=" O LYS T 252 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LEU T 258 " --> pdb=" O ASN T 255 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER T 259 " --> pdb=" O LYS T 256 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N VAL T 264 " --> pdb=" O LEU T 261 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ILE T 265 " --> pdb=" O GLY T 262 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU T 268 " --> pdb=" O ILE T 265 " (cutoff:3.500A) removed outlier: 3.909A 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 Processing helix chain 'T' and resid 287 through 291 Processing helix chain 'T' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU T 309 " --> pdb=" O SER T 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER T 310 " --> pdb=" O TYR T 307 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU T 311 " --> pdb=" O ASN T 308 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR T 312 " --> pdb=" O GLU T 309 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYS T 313 " --> pdb=" O SER T 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU T 317 " --> pdb=" O SER T 314 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N PHE T 318 " --> pdb=" O THR T 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG T 321 " --> pdb=" O PHE T 318 " (cutoff:3.500A) Processing helix chain 'C' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA C 19 " --> pdb=" O GLN C 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU C 22 " --> pdb=" O ASN C 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU C 23 " --> pdb=" O ALA C 19 " (cutoff:3.500A) Processing helix chain 'C' and resid 81 through 85 Processing helix chain 'C' and resid 121 through 134 removed outlier: 3.758A pdb=" N ASP C 126 " --> pdb=" O ASP C 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN C 134 " --> pdb=" O LYS C 130 " (cutoff:3.500A) Processing helix chain 'C' and resid 154 through 164 Processing helix chain 'C' and resid 189 through 203 removed outlier: 3.745A pdb=" N HIS C 198 " --> pdb=" O ILE C 194 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N THR C 199 " --> pdb=" O LEU C 195 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N GLU C 202 " --> pdb=" O HIS C 198 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS C 203 " --> pdb=" O THR C 199 " (cutoff:3.500A) Processing helix chain 'C' and resid 214 through 221 removed outlier: 3.563A pdb=" N ARG C 221 " --> pdb=" O ASP C 217 " (cutoff:3.500A) Processing helix chain 'C' and resid 230 through 244 removed outlier: 3.871A pdb=" N LEU C 236 " --> pdb=" O ASN C 232 " (cutoff:3.500A) Processing helix chain 'C' and resid 246 through 249 No H-bonds generated for 'chain 'C' and resid 246 through 249' Processing helix chain 'C' and resid 258 through 263 removed outlier: 3.565A pdb=" N PHE C 261 " --> pdb=" O LEU C 258 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR C 263 " --> pdb=" O GLU C 260 " (cutoff:3.500A) Processing helix chain 'C' and resid 284 through 289 removed outlier: 3.742A pdb=" N TYR C 288 " --> pdb=" O ALA C 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.677A pdb=" N ALA C 336 " --> pdb=" O LYS C 332 " (cutoff:3.500A) Processing helix chain 'C' and resid 390 through 406 removed outlier: 3.663A pdb=" N LEU C 403 " --> pdb=" O HIS C 399 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET C 404 " --> pdb=" O LYS C 400 " (cutoff:3.500A) Processing helix chain 'C' and resid 412 through 417 Processing helix chain 'C' and resid 421 through 441 Processing helix chain 'L' and resid 11 through 28 Processing helix chain 'L' and resid 42 through 45 No H-bonds generated for 'chain 'L' and resid 42 through 45' 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 71 through 77 Processing helix chain 'L' and resid 101 through 106 Processing helix chain 'L' and resid 110 through 126 removed outlier: 4.202A pdb=" N ASP L 114 " --> pdb=" O ALA L 110 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N SER L 115 " --> pdb=" O GLU L 111 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N ASP L 118 " --> pdb=" O ASP L 114 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N VAL L 119 " --> pdb=" O SER L 115 " (cutoff:3.500A) Processing helix chain 'L' and resid 146 through 158 removed outlier: 3.956A pdb=" N ILE L 152 " --> pdb=" O GLY L 148 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N SER L 153 " --> pdb=" O THR L 149 " (cutoff:3.500A) Processing helix chain 'L' and resid 181 through 195 removed outlier: 3.757A pdb=" N HIS L 190 " --> pdb=" O THR L 186 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLN L 191 " --> pdb=" O LEU L 187 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N GLU L 194 " --> pdb=" O HIS L 190 " (cutoff:3.500A) Processing helix chain 'L' and resid 204 through 213 Processing helix chain 'L' and resid 222 through 236 removed outlier: 3.617A pdb=" N LEU L 228 " --> pdb=" O ASP L 224 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR L 232 " --> pdb=" O LEU L 228 " (cutoff:3.500A) Processing helix chain 'L' and resid 250 through 257 Processing helix chain 'L' and resid 286 through 293 removed outlier: 3.669A pdb=" N GLN L 291 " --> pdb=" O PRO L 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.727A pdb=" N LEU L 331 " --> pdb=" O ASP L 327 " (cutoff:3.500A) removed outlier: 3.936A 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: 3.684A pdb=" N LYS L 379 " --> pdb=" O GLU L 376 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG L 380 " --> pdb=" O LEU L 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU L 383 " --> pdb=" O ARG L 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR L 386 " --> pdb=" O GLU L 383 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALA L 387 " --> pdb=" O GLN L 384 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N MET L 388 " --> pdb=" O PHE L 385 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE L 389 " --> pdb=" O THR L 386 " (cutoff:3.500A) Processing helix chain 'L' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'U' and resid 68 through 75 Processing helix chain 'U' and resid 92 through 95 No H-bonds generated for 'chain 'U' and resid 92 through 95' Processing helix chain 'U' and resid 107 through 121 removed outlier: 3.500A pdb=" N SER U 121 " --> pdb=" O ASN U 117 " (cutoff:3.500A) 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: 3.910A pdb=" N ILE U 254 " --> pdb=" O ALA U 251 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASN U 255 " --> pdb=" O LYS U 252 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEU U 258 " --> pdb=" O ASN U 255 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N SER U 259 " --> pdb=" O LYS U 256 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N VAL U 264 " --> pdb=" O LEU U 261 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ILE U 265 " --> pdb=" O GLY U 262 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU U 268 " --> pdb=" O ILE U 265 " (cutoff:3.500A) removed outlier: 3.909A 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 Processing helix chain 'U' and resid 287 through 291 Processing helix chain 'U' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU U 309 " --> pdb=" O SER U 306 " (cutoff:3.500A) removed outlier: 5.709A pdb=" N SER U 310 " --> pdb=" O TYR U 307 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU U 311 " --> pdb=" O ASN U 308 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR U 312 " --> pdb=" O GLU U 309 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYS U 313 " --> pdb=" O SER U 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU U 317 " --> pdb=" O SER U 314 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE U 318 " --> pdb=" O THR U 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG U 321 " --> pdb=" O PHE U 318 " (cutoff:3.500A) Processing helix chain 'D' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA D 19 " --> pdb=" O GLN D 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU D 22 " --> pdb=" O ASN D 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU D 23 " --> pdb=" O ALA D 19 " (cutoff:3.500A) Processing helix chain 'D' and resid 81 through 85 Processing helix chain 'D' and resid 121 through 134 removed outlier: 3.758A pdb=" N ASP D 126 " --> pdb=" O ASP D 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN D 134 " --> pdb=" O LYS D 130 " (cutoff:3.500A) Processing helix chain 'D' and resid 154 through 164 Processing helix chain 'D' and resid 189 through 203 removed outlier: 3.744A pdb=" N HIS D 198 " --> pdb=" O ILE D 194 " (cutoff:3.500A) removed outlier: 4.281A pdb=" N THR D 199 " --> pdb=" O LEU D 195 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N GLU D 202 " --> pdb=" O HIS D 198 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N HIS D 203 " --> pdb=" O THR D 199 " (cutoff:3.500A) Processing helix chain 'D' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG D 221 " --> pdb=" O ASP D 217 " (cutoff:3.500A) Processing helix chain 'D' and resid 230 through 244 removed outlier: 3.871A pdb=" N LEU D 236 " --> pdb=" O ASN D 232 " (cutoff:3.500A) Processing helix chain 'D' and resid 246 through 249 No H-bonds generated for 'chain 'D' and resid 246 through 249' Processing helix chain 'D' and resid 258 through 263 removed outlier: 3.565A pdb=" N PHE D 261 " --> pdb=" O LEU D 258 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N THR D 263 " --> pdb=" O GLU D 260 " (cutoff:3.500A) Processing helix chain 'D' and resid 284 through 289 removed outlier: 3.743A pdb=" N TYR D 288 " --> pdb=" O ALA D 284 " (cutoff:3.500A) removed outlier: 3.916A 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: 3.677A pdb=" N ALA D 336 " --> pdb=" O LYS D 332 " (cutoff:3.500A) Processing helix chain 'D' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU D 403 " --> pdb=" O HIS D 399 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N MET D 404 " --> pdb=" O LYS D 400 " (cutoff:3.500A) Processing helix chain 'D' and resid 412 through 417 Processing helix chain 'D' and resid 421 through 441 Processing helix chain 'M' and resid 11 through 28 Processing helix chain 'M' and resid 42 through 45 No H-bonds generated for 'chain 'M' and resid 42 through 45' 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 71 through 77 Processing helix chain 'M' and resid 101 through 106 Processing helix chain 'M' and resid 110 through 126 removed outlier: 4.202A pdb=" N ASP M 114 " --> pdb=" O ALA M 110 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N SER M 115 " --> pdb=" O GLU M 111 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N ASP M 118 " --> pdb=" O ASP M 114 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N VAL M 119 " --> pdb=" O SER M 115 " (cutoff:3.500A) Processing helix chain 'M' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE M 152 " --> pdb=" O GLY M 148 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER M 153 " --> pdb=" O THR M 149 " (cutoff:3.500A) Processing helix chain 'M' and resid 181 through 195 removed outlier: 3.756A pdb=" N HIS M 190 " --> pdb=" O THR M 186 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLN M 191 " --> pdb=" O LEU M 187 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N GLU M 194 " --> pdb=" O HIS M 190 " (cutoff:3.500A) Processing helix chain 'M' and resid 204 through 213 Processing helix chain 'M' and resid 222 through 236 removed outlier: 3.618A pdb=" N LEU M 228 " --> pdb=" O ASP M 224 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR M 232 " --> pdb=" O LEU M 228 " (cutoff:3.500A) Processing helix chain 'M' and resid 250 through 257 Processing helix chain 'M' and resid 286 through 293 removed outlier: 3.668A pdb=" N GLN M 291 " --> pdb=" O PRO M 287 " (cutoff:3.500A) removed outlier: 3.624A 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: 3.727A pdb=" N LEU M 331 " --> pdb=" O ASP M 327 " (cutoff:3.500A) removed outlier: 3.936A 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: 3.684A pdb=" N LYS M 379 " --> pdb=" O GLU M 376 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ARG M 380 " --> pdb=" O LEU M 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU M 383 " --> pdb=" O ARG M 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR M 386 " --> pdb=" O GLU M 383 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALA M 387 " --> pdb=" O GLN M 384 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N MET M 388 " --> pdb=" O PHE M 385 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE M 389 " --> pdb=" O THR M 386 " (cutoff:3.500A) Processing helix chain 'M' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'V' and resid 68 through 75 Processing helix chain 'V' and resid 92 through 95 No H-bonds generated for 'chain 'V' and resid 92 through 95' Processing helix chain 'V' and resid 107 through 121 removed outlier: 3.500A pdb=" N SER V 121 " --> pdb=" O ASN V 117 " (cutoff:3.500A) 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: 3.911A pdb=" N ILE V 254 " --> pdb=" O ALA V 251 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASN V 255 " --> pdb=" O LYS V 252 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N LEU V 258 " --> pdb=" O ASN V 255 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N SER V 259 " --> pdb=" O LYS V 256 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N VAL V 264 " --> pdb=" O LEU V 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE V 265 " --> pdb=" O GLY V 262 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU V 268 " --> pdb=" O ILE V 265 " (cutoff:3.500A) removed outlier: 3.909A 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 285 Processing helix chain 'V' and resid 287 through 291 Processing helix chain 'V' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU V 309 " --> pdb=" O SER V 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER V 310 " --> pdb=" O TYR V 307 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU V 311 " --> pdb=" O ASN V 308 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N THR V 312 " --> pdb=" O GLU V 309 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYS V 313 " --> pdb=" O SER V 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU V 317 " --> pdb=" O SER V 314 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE V 318 " --> pdb=" O THR V 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG V 321 " --> pdb=" O PHE V 318 " (cutoff:3.500A) Processing helix chain 'E' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA E 19 " --> pdb=" O GLN E 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU E 22 " --> pdb=" O ASN E 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU E 23 " --> pdb=" O ALA E 19 " (cutoff:3.500A) Processing helix chain 'E' and resid 81 through 85 Processing helix chain 'E' and resid 121 through 134 removed outlier: 3.758A pdb=" N ASP E 126 " --> pdb=" O ASP E 122 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLN E 134 " --> pdb=" O LYS E 130 " (cutoff:3.500A) Processing helix chain 'E' and resid 154 through 164 Processing helix chain 'E' and resid 189 through 203 removed outlier: 3.744A pdb=" N HIS E 198 " --> pdb=" O ILE E 194 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N THR E 199 " --> pdb=" O LEU E 195 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N GLU E 202 " --> pdb=" O HIS E 198 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS E 203 " --> pdb=" O THR E 199 " (cutoff:3.500A) Processing helix chain 'E' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG E 221 " --> pdb=" O ASP E 217 " (cutoff:3.500A) Processing helix chain 'E' and resid 230 through 244 removed outlier: 3.870A pdb=" N LEU E 236 " --> pdb=" O ASN E 232 " (cutoff:3.500A) Processing helix chain 'E' and resid 246 through 249 No H-bonds generated for 'chain 'E' and resid 246 through 249' Processing helix chain 'E' and resid 258 through 263 removed outlier: 3.566A pdb=" N PHE E 261 " --> pdb=" O LEU E 258 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR E 263 " --> pdb=" O GLU E 260 " (cutoff:3.500A) Processing helix chain 'E' and resid 284 through 289 removed outlier: 3.742A pdb=" N TYR E 288 " --> pdb=" O ALA E 284 " (cutoff:3.500A) removed outlier: 3.918A 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: 3.676A pdb=" N ALA E 336 " --> pdb=" O LYS E 332 " (cutoff:3.500A) Processing helix chain 'E' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU E 403 " --> pdb=" O HIS E 399 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N MET E 404 " --> pdb=" O LYS E 400 " (cutoff:3.500A) Processing helix chain 'E' and resid 412 through 417 Processing helix chain 'E' and resid 421 through 441 Processing helix chain 'N' and resid 11 through 28 Processing helix chain 'N' and resid 42 through 45 No H-bonds generated for 'chain 'N' and resid 42 through 45' 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 71 through 77 Processing helix chain 'N' and resid 101 through 106 Processing helix chain 'N' and resid 110 through 126 removed outlier: 4.202A pdb=" N ASP N 114 " --> pdb=" O ALA N 110 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N SER N 115 " --> pdb=" O GLU N 111 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP N 118 " --> pdb=" O ASP N 114 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL N 119 " --> pdb=" O SER N 115 " (cutoff:3.500A) Processing helix chain 'N' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE N 152 " --> pdb=" O GLY N 148 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N SER N 153 " --> pdb=" O THR N 149 " (cutoff:3.500A) Processing helix chain 'N' and resid 181 through 195 removed outlier: 3.756A pdb=" N HIS N 190 " --> pdb=" O THR N 186 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLN N 191 " --> pdb=" O LEU N 187 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N GLU N 194 " --> pdb=" O HIS N 190 " (cutoff:3.500A) Processing helix chain 'N' and resid 204 through 213 Processing helix chain 'N' and resid 222 through 236 removed outlier: 3.617A pdb=" N LEU N 228 " --> pdb=" O ASP N 224 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR N 232 " --> pdb=" O LEU N 228 " (cutoff:3.500A) Processing helix chain 'N' and resid 250 through 257 Processing helix chain 'N' and resid 286 through 293 removed outlier: 3.668A pdb=" N GLN N 291 " --> pdb=" O PRO N 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.728A pdb=" N LEU N 331 " --> pdb=" O ASP N 327 " (cutoff:3.500A) removed outlier: 3.937A 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: 3.684A pdb=" N LYS N 379 " --> pdb=" O GLU N 376 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG N 380 " --> pdb=" O LEU N 377 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N GLU N 383 " --> pdb=" O ARG N 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR N 386 " --> pdb=" O GLU N 383 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALA N 387 " --> pdb=" O GLN N 384 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N MET N 388 " --> pdb=" O PHE N 385 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE N 389 " --> pdb=" O THR N 386 " (cutoff:3.500A) Processing helix chain 'N' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'W' and resid 68 through 75 Processing helix chain 'W' and resid 92 through 95 No H-bonds generated for 'chain 'W' and resid 92 through 95' Processing helix chain 'W' and resid 107 through 121 removed outlier: 3.500A pdb=" N SER W 121 " --> pdb=" O ASN W 117 " (cutoff:3.500A) 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: 3.911A pdb=" N ILE W 254 " --> pdb=" O ALA W 251 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASN W 255 " --> pdb=" O LYS W 252 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEU W 258 " --> pdb=" O ASN W 255 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N SER W 259 " --> pdb=" O LYS W 256 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N VAL W 264 " --> pdb=" O LEU W 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE W 265 " --> pdb=" O GLY W 262 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N LEU W 268 " --> pdb=" O ILE W 265 " (cutoff:3.500A) removed outlier: 3.910A 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 Processing helix chain 'W' and resid 287 through 291 Processing helix chain 'W' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU W 309 " --> pdb=" O SER W 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER W 310 " --> pdb=" O TYR W 307 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU W 311 " --> pdb=" O ASN W 308 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR W 312 " --> pdb=" O GLU W 309 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYS W 313 " --> pdb=" O SER W 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU W 317 " --> pdb=" O SER W 314 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE W 318 " --> pdb=" O THR W 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG W 321 " --> pdb=" O PHE W 318 " (cutoff:3.500A) Processing helix chain 'F' and resid 10 through 27 removed outlier: 3.719A pdb=" N ALA F 19 " --> pdb=" O GLN F 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU F 22 " --> pdb=" O ASN F 18 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N LEU F 23 " --> pdb=" O ALA F 19 " (cutoff:3.500A) Processing helix chain 'F' and resid 81 through 85 Processing helix chain 'F' and resid 121 through 134 removed outlier: 3.758A pdb=" N ASP F 126 " --> pdb=" O ASP F 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN F 134 " --> pdb=" O LYS F 130 " (cutoff:3.500A) Processing helix chain 'F' and resid 154 through 164 Processing helix chain 'F' and resid 189 through 203 removed outlier: 3.743A pdb=" N HIS F 198 " --> pdb=" O ILE F 194 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N THR F 199 " --> pdb=" O LEU F 195 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N GLU F 202 " --> pdb=" O HIS F 198 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS F 203 " --> pdb=" O THR F 199 " (cutoff:3.500A) Processing helix chain 'F' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG F 221 " --> pdb=" O ASP F 217 " (cutoff:3.500A) Processing helix chain 'F' and resid 230 through 244 removed outlier: 3.871A pdb=" N LEU F 236 " --> pdb=" O ASN F 232 " (cutoff:3.500A) Processing helix chain 'F' and resid 246 through 249 No H-bonds generated for 'chain 'F' and resid 246 through 249' Processing helix chain 'F' and resid 258 through 263 removed outlier: 3.566A pdb=" N PHE F 261 " --> pdb=" O LEU F 258 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N THR F 263 " --> pdb=" O GLU F 260 " (cutoff:3.500A) Processing helix chain 'F' and resid 284 through 289 removed outlier: 3.743A pdb=" N TYR F 288 " --> pdb=" O ALA F 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.677A pdb=" N ALA F 336 " --> pdb=" O LYS F 332 " (cutoff:3.500A) Processing helix chain 'F' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU F 403 " --> pdb=" O HIS F 399 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET F 404 " --> pdb=" O LYS F 400 " (cutoff:3.500A) Processing helix chain 'F' and resid 412 through 417 Processing helix chain 'F' and resid 421 through 441 Processing helix chain 'O' and resid 11 through 28 Processing helix chain 'O' and resid 42 through 45 No H-bonds generated for 'chain 'O' and resid 42 through 45' 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 71 through 77 Processing helix chain 'O' and resid 101 through 106 Processing helix chain 'O' and resid 110 through 126 removed outlier: 4.201A pdb=" N ASP O 114 " --> pdb=" O ALA O 110 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N SER O 115 " --> pdb=" O GLU O 111 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N ASP O 118 " --> pdb=" O ASP O 114 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N VAL O 119 " --> pdb=" O SER O 115 " (cutoff:3.500A) Processing helix chain 'O' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE O 152 " --> pdb=" O GLY O 148 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N SER O 153 " --> pdb=" O THR O 149 " (cutoff:3.500A) Processing helix chain 'O' and resid 181 through 195 removed outlier: 3.757A pdb=" N HIS O 190 " --> pdb=" O THR O 186 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLN O 191 " --> pdb=" O LEU O 187 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N GLU O 194 " --> pdb=" O HIS O 190 " (cutoff:3.500A) Processing helix chain 'O' and resid 204 through 213 Processing helix chain 'O' and resid 222 through 236 removed outlier: 3.618A pdb=" N LEU O 228 " --> pdb=" O ASP O 224 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR O 232 " --> pdb=" O LEU O 228 " (cutoff:3.500A) Processing helix chain 'O' and resid 250 through 257 Processing helix chain 'O' and resid 286 through 293 removed outlier: 3.669A pdb=" N GLN O 291 " --> pdb=" O PRO O 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.728A pdb=" N LEU O 331 " --> pdb=" O ASP O 327 " (cutoff:3.500A) removed outlier: 3.937A 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: 3.684A pdb=" N LYS O 379 " --> pdb=" O GLU O 376 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ARG O 380 " --> pdb=" O LEU O 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU O 383 " --> pdb=" O ARG O 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR O 386 " --> pdb=" O GLU O 383 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA O 387 " --> pdb=" O GLN O 384 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N MET O 388 " --> pdb=" O PHE O 385 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE O 389 " --> pdb=" O THR O 386 " (cutoff:3.500A) Processing helix chain 'O' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'X' and resid 68 through 75 Processing helix chain 'X' and resid 92 through 95 No H-bonds generated for 'chain 'X' and resid 92 through 95' Processing helix chain 'X' and resid 107 through 121 removed outlier: 3.500A pdb=" N SER X 121 " --> pdb=" O ASN X 117 " (cutoff:3.500A) 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: 3.911A pdb=" N ILE X 254 " --> pdb=" O ALA X 251 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ASN X 255 " --> pdb=" O LYS X 252 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LEU X 258 " --> pdb=" O ASN X 255 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER X 259 " --> pdb=" O LYS X 256 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N VAL X 264 " --> pdb=" O LEU X 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE X 265 " --> pdb=" O GLY X 262 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU X 268 " --> pdb=" O ILE X 265 " (cutoff:3.500A) removed outlier: 3.910A 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 Processing helix chain 'X' and resid 287 through 291 Processing helix chain 'X' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU X 309 " --> pdb=" O SER X 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER X 310 " --> pdb=" O TYR X 307 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLU X 311 " --> pdb=" O ASN X 308 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N THR X 312 " --> pdb=" O GLU X 309 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LYS X 313 " --> pdb=" O SER X 310 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N LEU X 317 " --> pdb=" O SER X 314 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE X 318 " --> pdb=" O THR X 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG X 321 " --> pdb=" O PHE X 318 " (cutoff:3.500A) Processing helix chain 'G' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA G 19 " --> pdb=" O GLN G 15 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU G 22 " --> pdb=" O ASN G 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU G 23 " --> pdb=" O ALA G 19 " (cutoff:3.500A) Processing helix chain 'G' and resid 81 through 85 Processing helix chain 'G' and resid 121 through 134 removed outlier: 3.759A pdb=" N ASP G 126 " --> pdb=" O ASP G 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN G 134 " --> pdb=" O LYS G 130 " (cutoff:3.500A) Processing helix chain 'G' and resid 154 through 164 Processing helix chain 'G' and resid 189 through 203 removed outlier: 3.744A pdb=" N HIS G 198 " --> pdb=" O ILE G 194 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N THR G 199 " --> pdb=" O LEU G 195 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N GLU G 202 " --> pdb=" O HIS G 198 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS G 203 " --> pdb=" O THR G 199 " (cutoff:3.500A) Processing helix chain 'G' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG G 221 " --> pdb=" O ASP G 217 " (cutoff:3.500A) Processing helix chain 'G' and resid 230 through 244 removed outlier: 3.870A pdb=" N LEU G 236 " --> pdb=" O ASN G 232 " (cutoff:3.500A) Processing helix chain 'G' and resid 246 through 249 No H-bonds generated for 'chain 'G' and resid 246 through 249' Processing helix chain 'G' and resid 258 through 263 removed outlier: 3.566A pdb=" N PHE G 261 " --> pdb=" O LEU G 258 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR G 263 " --> pdb=" O GLU G 260 " (cutoff:3.500A) Processing helix chain 'G' and resid 284 through 289 removed outlier: 3.743A pdb=" N TYR G 288 " --> pdb=" O ALA G 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.676A pdb=" N ALA G 336 " --> pdb=" O LYS G 332 " (cutoff:3.500A) Processing helix chain 'G' and resid 390 through 406 removed outlier: 3.663A pdb=" N LEU G 403 " --> pdb=" O HIS G 399 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET G 404 " --> pdb=" O LYS G 400 " (cutoff:3.500A) Processing helix chain 'G' and resid 412 through 417 Processing helix chain 'G' and resid 421 through 441 Processing helix chain 'P' and resid 11 through 28 Processing helix chain 'P' and resid 42 through 45 No H-bonds generated for 'chain 'P' and resid 42 through 45' 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 71 through 77 Processing helix chain 'P' and resid 101 through 106 Processing helix chain 'P' and resid 110 through 126 removed outlier: 4.201A pdb=" N ASP P 114 " --> pdb=" O ALA P 110 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N SER P 115 " --> pdb=" O GLU P 111 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP P 118 " --> pdb=" O ASP P 114 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N VAL P 119 " --> pdb=" O SER P 115 " (cutoff:3.500A) Processing helix chain 'P' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE P 152 " --> pdb=" O GLY P 148 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER P 153 " --> pdb=" O THR P 149 " (cutoff:3.500A) Processing helix chain 'P' and resid 181 through 195 removed outlier: 3.757A pdb=" N HIS P 190 " --> pdb=" O THR P 186 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLN P 191 " --> pdb=" O LEU P 187 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N GLU P 194 " --> pdb=" O HIS P 190 " (cutoff:3.500A) Processing helix chain 'P' and resid 204 through 213 Processing helix chain 'P' and resid 222 through 236 removed outlier: 3.618A pdb=" N LEU P 228 " --> pdb=" O ASP P 224 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N THR P 232 " --> pdb=" O LEU P 228 " (cutoff:3.500A) Processing helix chain 'P' and resid 250 through 257 Processing helix chain 'P' and resid 286 through 293 removed outlier: 3.669A pdb=" N GLN P 291 " --> pdb=" O PRO P 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.729A pdb=" N LEU P 331 " --> pdb=" O ASP P 327 " (cutoff:3.500A) removed outlier: 3.937A 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: 3.684A pdb=" N LYS P 379 " --> pdb=" O GLU P 376 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N ARG P 380 " --> pdb=" O LEU P 377 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N GLU P 383 " --> pdb=" O ARG P 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR P 386 " --> pdb=" O GLU P 383 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA P 387 " --> pdb=" O GLN P 384 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N MET P 388 " --> pdb=" O PHE P 385 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N PHE P 389 " --> pdb=" O THR P 386 " (cutoff:3.500A) Processing helix chain 'P' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'Z' and resid 68 through 75 Processing helix chain 'Z' and resid 92 through 95 No H-bonds generated for 'chain 'Z' and resid 92 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: 3.910A pdb=" N ILE Z 254 " --> pdb=" O ALA Z 251 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASN Z 255 " --> pdb=" O LYS Z 252 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEU Z 258 " --> pdb=" O ASN Z 255 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER Z 259 " --> pdb=" O LYS Z 256 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N VAL Z 264 " --> pdb=" O LEU Z 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE Z 265 " --> pdb=" O GLY Z 262 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU Z 268 " --> pdb=" O ILE Z 265 " (cutoff:3.500A) removed outlier: 3.910A 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 Processing helix chain 'Z' and resid 287 through 291 Processing helix chain 'Z' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU Z 309 " --> pdb=" O SER Z 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER Z 310 " --> pdb=" O TYR Z 307 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLU Z 311 " --> pdb=" O ASN Z 308 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR Z 312 " --> pdb=" O GLU Z 309 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N LYS Z 313 " --> pdb=" O SER Z 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU Z 317 " --> pdb=" O SER Z 314 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N PHE Z 318 " --> pdb=" O THR Z 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG Z 321 " --> pdb=" O PHE Z 318 " (cutoff:3.500A) Processing helix chain 'H' and resid 10 through 27 removed outlier: 3.718A pdb=" N ALA H 19 " --> pdb=" O GLN H 15 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N GLU H 22 " --> pdb=" O ASN H 18 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N LEU H 23 " --> pdb=" O ALA H 19 " (cutoff:3.500A) Processing helix chain 'H' and resid 81 through 85 Processing helix chain 'H' and resid 121 through 134 removed outlier: 3.757A pdb=" N ASP H 126 " --> pdb=" O ASP H 122 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLN H 134 " --> pdb=" O LYS H 130 " (cutoff:3.500A) Processing helix chain 'H' and resid 154 through 164 Processing helix chain 'H' and resid 189 through 203 removed outlier: 3.744A pdb=" N HIS H 198 " --> pdb=" O ILE H 194 " (cutoff:3.500A) removed outlier: 4.280A pdb=" N THR H 199 " --> pdb=" O LEU H 195 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N GLU H 202 " --> pdb=" O HIS H 198 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N HIS H 203 " --> pdb=" O THR H 199 " (cutoff:3.500A) Processing helix chain 'H' and resid 214 through 221 removed outlier: 3.564A pdb=" N ARG H 221 " --> pdb=" O ASP H 217 " (cutoff:3.500A) Processing helix chain 'H' and resid 230 through 244 removed outlier: 3.871A pdb=" N LEU H 236 " --> pdb=" O ASN H 232 " (cutoff:3.500A) Processing helix chain 'H' and resid 246 through 249 No H-bonds generated for 'chain 'H' and resid 246 through 249' Processing helix chain 'H' and resid 258 through 263 removed outlier: 3.566A pdb=" N PHE H 261 " --> pdb=" O LEU H 258 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N THR H 263 " --> pdb=" O GLU H 260 " (cutoff:3.500A) Processing helix chain 'H' and resid 284 through 289 removed outlier: 3.743A pdb=" N TYR H 288 " --> pdb=" O ALA H 284 " (cutoff:3.500A) removed outlier: 3.917A 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: 3.675A pdb=" N ALA H 336 " --> pdb=" O LYS H 332 " (cutoff:3.500A) Processing helix chain 'H' and resid 390 through 406 removed outlier: 3.664A pdb=" N LEU H 403 " --> pdb=" O HIS H 399 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N MET H 404 " --> pdb=" O LYS H 400 " (cutoff:3.500A) Processing helix chain 'H' and resid 412 through 417 Processing helix chain 'H' and resid 421 through 441 Processing helix chain 'R' and resid 11 through 28 Processing helix chain 'R' and resid 42 through 45 No H-bonds generated for 'chain 'R' and resid 42 through 45' 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 71 through 77 Processing helix chain 'R' and resid 101 through 106 Processing helix chain 'R' and resid 110 through 126 removed outlier: 4.202A pdb=" N ASP R 114 " --> pdb=" O ALA R 110 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N SER R 115 " --> pdb=" O GLU R 111 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP R 118 " --> pdb=" O ASP R 114 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N VAL R 119 " --> pdb=" O SER R 115 " (cutoff:3.500A) Processing helix chain 'R' and resid 146 through 158 removed outlier: 3.955A pdb=" N ILE R 152 " --> pdb=" O GLY R 148 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER R 153 " --> pdb=" O THR R 149 " (cutoff:3.500A) Processing helix chain 'R' and resid 181 through 195 removed outlier: 3.756A pdb=" N HIS R 190 " --> pdb=" O THR R 186 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N GLN R 191 " --> pdb=" O LEU R 187 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N GLU R 194 " --> pdb=" O HIS R 190 " (cutoff:3.500A) Processing helix chain 'R' and resid 204 through 213 Processing helix chain 'R' and resid 222 through 236 removed outlier: 3.617A pdb=" N LEU R 228 " --> pdb=" O ASP R 224 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N THR R 232 " --> pdb=" O LEU R 228 " (cutoff:3.500A) Processing helix chain 'R' and resid 250 through 257 Processing helix chain 'R' and resid 286 through 293 removed outlier: 3.668A pdb=" N GLN R 291 " --> pdb=" O PRO R 287 " (cutoff:3.500A) removed outlier: 3.625A 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: 3.728A pdb=" N LEU R 331 " --> pdb=" O ASP R 327 " (cutoff:3.500A) removed outlier: 3.937A 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: 3.684A pdb=" N LYS R 379 " --> pdb=" O GLU R 376 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ARG R 380 " --> pdb=" O LEU R 377 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLU R 383 " --> pdb=" O ARG R 380 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR R 386 " --> pdb=" O GLU R 383 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA R 387 " --> pdb=" O GLN R 384 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N MET R 388 " --> pdb=" O PHE R 385 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE R 389 " --> pdb=" O THR R 386 " (cutoff:3.500A) Processing helix chain 'R' and resid 396 through 401 removed outlier: 4.355A 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 64 Processing helix chain 'a' and resid 68 through 75 Processing helix chain 'a' and resid 92 through 95 No H-bonds generated for 'chain 'a' and resid 92 through 95' Processing helix chain 'a' and resid 107 through 121 removed outlier: 3.501A pdb=" N SER a 121 " --> pdb=" O ASN a 117 " (cutoff:3.500A) 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: 3.910A pdb=" N ILE a 254 " --> pdb=" O ALA a 251 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASN a 255 " --> pdb=" O LYS a 252 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N LEU a 258 " --> pdb=" O ASN a 255 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N SER a 259 " --> pdb=" O LYS a 256 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N VAL a 264 " --> pdb=" O LEU a 261 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N ILE a 265 " --> pdb=" O GLY a 262 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N LEU a 268 " --> pdb=" O ILE a 265 " (cutoff:3.500A) removed outlier: 3.910A 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 Processing helix chain 'a' and resid 287 through 291 Processing helix chain 'a' and resid 306 through 323 removed outlier: 3.704A pdb=" N GLU a 309 " --> pdb=" O SER a 306 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N SER a 310 " --> pdb=" O TYR a 307 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU a 311 " --> pdb=" O ASN a 308 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N THR a 312 " --> pdb=" O GLU a 309 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LYS a 313 " --> pdb=" O SER a 310 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU a 317 " --> pdb=" O SER a 314 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N PHE a 318 " --> pdb=" O THR a 315 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N ARG a 321 " --> pdb=" O PHE a 318 " (cutoff:3.500A) Processing sheet with id= A, first strand: chain 'I' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER I 6 " --> pdb=" O VAL I 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL I 74 " --> pdb=" O SER I 6 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N HIS I 8 " --> pdb=" O VAL I 74 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N ILE I 5 " --> pdb=" O GLY I 140 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU I 142 " --> pdb=" O ILE I 5 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE I 7 " --> pdb=" O LEU I 142 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N SER I 171 " --> pdb=" O PHE I 141 " (cutoff:3.500A) removed outlier: 7.656A pdb=" N VAL I 143 " --> pdb=" O SER I 171 " (cutoff:3.500A) removed outlier: 6.287A pdb=" N LEU I 173 " --> pdb=" O VAL I 143 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N HIS I 145 " --> pdb=" O LEU I 173 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N PHE I 175 " --> pdb=" O HIS I 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS I 206 " --> pdb=" O GLU I 174 " (cutoff:3.500A) removed outlier: 8.249A pdb=" N SER I 176 " --> pdb=" O CYS I 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE I 208 " --> pdb=" O SER I 176 " (cutoff:3.500A) removed outlier: 7.532A pdb=" N TYR I 178 " --> pdb=" O PHE I 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL I 210 " --> pdb=" O TYR I 178 " (cutoff:3.500A) Processing sheet with id= B, first strand: chain 'I' and resid 59 through 61 removed outlier: 3.708A pdb=" N VAL I 68 " --> pdb=" O SER I 60 " (cutoff:3.500A) Processing sheet with id= C, first strand: chain 'I' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU I 324 " --> pdb=" O CYS I 382 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU I 384 " --> pdb=" O CYS I 322 " (cutoff:3.500A) Processing sheet with id= D, first strand: chain 'Q' and resid 63 through 66 removed outlier: 8.889A pdb=" N ILE Q 64 " --> pdb=" O ILE Q 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS Q 6 " --> pdb=" O ILE Q 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL Q 66 " --> pdb=" O HIS Q 6 " (cutoff:3.500A) removed outlier: 6.182A pdb=" N GLN Q 8 " --> pdb=" O VAL Q 66 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N VAL Q 5 " --> pdb=" O GLN Q 131 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N PHE Q 133 " --> pdb=" O VAL Q 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE Q 7 " --> pdb=" O PHE Q 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU Q 135 " --> pdb=" O ILE Q 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA Q 9 " --> pdb=" O LEU Q 135 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N HIS Q 137 " --> pdb=" O ALA Q 9 " (cutoff:3.500A) removed outlier: 7.186A pdb=" N ILE Q 163 " --> pdb=" O PHE Q 133 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N LEU Q 135 " --> pdb=" O ILE Q 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN Q 165 " --> pdb=" O LEU Q 135 " (cutoff:3.500A) removed outlier: 7.911A pdb=" N HIS Q 137 " --> pdb=" O ASN Q 165 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N PHE Q 167 " --> pdb=" O HIS Q 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR Q 200 " --> pdb=" O SER Q 168 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N MET Q 170 " --> pdb=" O TYR Q 200 " (cutoff:3.500A) removed outlier: 6.432A 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 removed outlier: 3.565A pdb=" N VAL Q 60 " --> pdb=" O ASN Q 52 " (cutoff:3.500A) Processing sheet with id= F, first strand: chain 'Q' and resid 269 through 271 Processing sheet with id= G, first strand: chain 'Y' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG Y 50 " --> pdb=" O VAL Y 11 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYS Y 10 " --> pdb=" O THR Y 296 " (cutoff:3.500A) removed outlier: 7.323A pdb=" N ASN Y 78 " --> pdb=" O ARG Y 295 " (cutoff:3.500A) removed outlier: 8.209A pdb=" N THR Y 297 " --> pdb=" O ASN Y 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR Y 80 " --> pdb=" O THR Y 297 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N VAL Y 299 " --> pdb=" O THR Y 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE Y 82 " --> pdb=" O VAL Y 299 " (cutoff:3.500A) removed outlier: 7.946A pdb=" N CYS Y 301 " --> pdb=" O PHE Y 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR Y 84 " --> pdb=" O CYS Y 301 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLY Y 79 " --> pdb=" O LYS Y 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR Y 228 " --> pdb=" O GLY Y 79 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALA Y 83 " --> pdb=" O VAL Y 230 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYS Y 213 " --> pdb=" O HIS Y 129 " (cutoff:3.500A) Processing sheet with id= H, first strand: chain 'Y' and resid 32 through 34 removed outlier: 3.629A pdb=" N THR Y 38 " --> pdb=" O GLN Y 34 " (cutoff:3.500A) Processing sheet with id= I, first strand: chain 'Y' and resid 207 through 210 Processing sheet with id= J, first strand: chain 'Y' and resid 155 through 157 Processing sheet with id= K, first strand: chain 'A' and resid 71 through 74 removed outlier: 7.230A pdb=" N SER A 6 " --> pdb=" O VAL A 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL A 74 " --> pdb=" O SER A 6 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N HIS A 8 " --> pdb=" O VAL A 74 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N ILE A 5 " --> pdb=" O GLY A 140 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU A 142 " --> pdb=" O ILE A 5 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE A 7 " --> pdb=" O LEU A 142 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N SER A 171 " --> pdb=" O PHE A 141 " (cutoff:3.500A) removed outlier: 7.656A pdb=" N VAL A 143 " --> pdb=" O SER A 171 " (cutoff:3.500A) removed outlier: 6.287A pdb=" N LEU A 173 " --> pdb=" O VAL A 143 " (cutoff:3.500A) removed outlier: 7.709A pdb=" N HIS A 145 " --> pdb=" O LEU A 173 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N PHE A 175 " --> pdb=" O HIS A 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS A 206 " --> pdb=" O GLU A 174 " (cutoff:3.500A) removed outlier: 8.249A pdb=" N SER A 176 " --> pdb=" O CYS A 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE A 208 " --> pdb=" O SER A 176 " (cutoff:3.500A) removed outlier: 7.533A pdb=" N TYR A 178 " --> pdb=" O PHE A 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL A 210 " --> pdb=" O TYR A 178 " (cutoff:3.500A) Processing sheet with id= L, first strand: chain 'A' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL A 68 " --> pdb=" O SER A 60 " (cutoff:3.500A) Processing sheet with id= M, first strand: chain 'A' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU A 324 " --> pdb=" O CYS A 382 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LEU A 384 " --> pdb=" O CYS A 322 " (cutoff:3.500A) Processing sheet with id= N, first strand: chain 'J' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE J 64 " --> pdb=" O ILE J 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS J 6 " --> pdb=" O ILE J 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL J 66 " --> pdb=" O HIS J 6 " (cutoff:3.500A) removed outlier: 6.182A pdb=" N GLN J 8 " --> pdb=" O VAL J 66 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N VAL J 5 " --> pdb=" O GLN J 131 " (cutoff:3.500A) removed outlier: 4.543A pdb=" N PHE J 133 " --> pdb=" O VAL J 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE J 7 " --> pdb=" O PHE J 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU J 135 " --> pdb=" O ILE J 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA J 9 " --> pdb=" O LEU J 135 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N HIS J 137 " --> pdb=" O ALA J 9 " (cutoff:3.500A) removed outlier: 7.187A pdb=" N ILE J 163 " --> pdb=" O PHE J 133 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N LEU J 135 " --> pdb=" O ILE J 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN J 165 " --> pdb=" O LEU J 135 " (cutoff:3.500A) removed outlier: 7.911A pdb=" N HIS J 137 " --> pdb=" O ASN J 165 " (cutoff:3.500A) removed outlier: 6.213A pdb=" N PHE J 167 " --> pdb=" O HIS J 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR J 200 " --> pdb=" O SER J 168 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N MET J 170 " --> pdb=" O TYR J 200 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N ILE J 202 " --> pdb=" O MET J 170 " (cutoff:3.500A) Processing sheet with id= O, first strand: chain 'J' and resid 51 through 53 removed outlier: 3.565A pdb=" N VAL J 60 " --> pdb=" O ASN J 52 " (cutoff:3.500A) Processing sheet with id= P, first strand: chain 'J' and resid 269 through 271 Processing sheet with id= Q, first strand: chain 'S' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG S 50 " --> pdb=" O VAL S 11 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYS S 10 " --> pdb=" O THR S 296 " (cutoff:3.500A) removed outlier: 7.323A pdb=" N ASN S 78 " --> pdb=" O ARG S 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR S 297 " --> pdb=" O ASN S 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR S 80 " --> pdb=" O THR S 297 " (cutoff:3.500A) removed outlier: 7.643A pdb=" N VAL S 299 " --> pdb=" O THR S 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE S 82 " --> pdb=" O VAL S 299 " (cutoff:3.500A) removed outlier: 7.945A pdb=" N CYS S 301 " --> pdb=" O PHE S 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR S 84 " --> pdb=" O CYS S 301 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY S 79 " --> pdb=" O LYS S 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR S 228 " --> pdb=" O GLY S 79 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALA S 83 " --> pdb=" O VAL S 230 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYS S 213 " --> pdb=" O HIS S 129 " (cutoff:3.500A) Processing sheet with id= R, first strand: chain 'S' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR S 38 " --> pdb=" O GLN S 34 " (cutoff:3.500A) Processing sheet with id= S, first strand: chain 'S' and resid 207 through 210 Processing sheet with id= T, first strand: chain 'S' and resid 155 through 157 Processing sheet with id= U, first strand: chain 'B' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER B 6 " --> pdb=" O VAL B 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL B 74 " --> pdb=" O SER B 6 " (cutoff:3.500A) removed outlier: 5.977A pdb=" N HIS B 8 " --> pdb=" O VAL B 74 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N ILE B 5 " --> pdb=" O GLY B 140 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU B 142 " --> pdb=" O ILE B 5 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE B 7 " --> pdb=" O LEU B 142 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N SER B 171 " --> pdb=" O PHE B 141 " (cutoff:3.500A) removed outlier: 7.656A pdb=" N VAL B 143 " --> pdb=" O SER B 171 " (cutoff:3.500A) removed outlier: 6.288A pdb=" N LEU B 173 " --> pdb=" O VAL B 143 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N HIS B 145 " --> pdb=" O LEU B 173 " (cutoff:3.500A) removed outlier: 6.078A pdb=" N PHE B 175 " --> pdb=" O HIS B 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS B 206 " --> pdb=" O GLU B 174 " (cutoff:3.500A) removed outlier: 8.249A pdb=" N SER B 176 " --> pdb=" O CYS B 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE B 208 " --> pdb=" O SER B 176 " (cutoff:3.500A) removed outlier: 7.533A pdb=" N TYR B 178 " --> pdb=" O PHE B 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL B 210 " --> pdb=" O TYR B 178 " (cutoff:3.500A) Processing sheet with id= V, first strand: chain 'B' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL B 68 " --> pdb=" O SER B 60 " (cutoff:3.500A) Processing sheet with id= W, first strand: chain 'B' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU B 324 " --> pdb=" O CYS B 382 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LEU B 384 " --> pdb=" O CYS B 322 " (cutoff:3.500A) Processing sheet with id= X, first strand: chain 'K' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE K 64 " --> pdb=" O ILE K 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS K 6 " --> pdb=" O ILE K 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL K 66 " --> pdb=" O HIS K 6 " (cutoff:3.500A) removed outlier: 6.183A pdb=" N GLN K 8 " --> pdb=" O VAL K 66 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N VAL K 5 " --> pdb=" O GLN K 131 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N PHE K 133 " --> pdb=" O VAL K 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE K 7 " --> pdb=" O PHE K 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU K 135 " --> pdb=" O ILE K 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA K 9 " --> pdb=" O LEU K 135 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N HIS K 137 " --> pdb=" O ALA K 9 " (cutoff:3.500A) removed outlier: 7.187A pdb=" N ILE K 163 " --> pdb=" O PHE K 133 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N LEU K 135 " --> pdb=" O ILE K 163 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N ASN K 165 " --> pdb=" O LEU K 135 " (cutoff:3.500A) removed outlier: 7.911A pdb=" N HIS K 137 " --> pdb=" O ASN K 165 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N PHE K 167 " --> pdb=" O HIS K 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR K 200 " --> pdb=" O SER K 168 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N MET K 170 " --> pdb=" O TYR K 200 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N ILE K 202 " --> pdb=" O MET K 170 " (cutoff:3.500A) Processing sheet with id= Y, first strand: chain 'K' and resid 51 through 53 removed outlier: 3.566A pdb=" N VAL K 60 " --> pdb=" O ASN K 52 " (cutoff:3.500A) Processing sheet with id= Z, first strand: chain 'K' and resid 269 through 271 Processing sheet with id= AA, first strand: chain 'T' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG T 50 " --> pdb=" O VAL T 11 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LYS T 10 " --> pdb=" O THR T 296 " (cutoff:3.500A) removed outlier: 7.324A pdb=" N ASN T 78 " --> pdb=" O ARG T 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR T 297 " --> pdb=" O ASN T 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR T 80 " --> pdb=" O THR T 297 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N VAL T 299 " --> pdb=" O THR T 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE T 82 " --> pdb=" O VAL T 299 " (cutoff:3.500A) removed outlier: 7.946A pdb=" N CYS T 301 " --> pdb=" O PHE T 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR T 84 " --> pdb=" O CYS T 301 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLY T 79 " --> pdb=" O LYS T 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR T 228 " --> pdb=" O GLY T 79 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N ALA T 83 " --> pdb=" O VAL T 230 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYS T 213 " --> pdb=" O HIS T 129 " (cutoff:3.500A) Processing sheet with id= AB, first strand: chain 'T' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR T 38 " --> pdb=" O GLN T 34 " (cutoff:3.500A) Processing sheet with id= AC, first strand: chain 'T' and resid 207 through 210 Processing sheet with id= AD, first strand: chain 'T' and resid 155 through 157 Processing sheet with id= AE, first strand: chain 'C' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER C 6 " --> pdb=" O VAL C 72 " (cutoff:3.500A) removed outlier: 8.241A pdb=" N VAL C 74 " --> pdb=" O SER C 6 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N HIS C 8 " --> pdb=" O VAL C 74 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N ILE C 5 " --> pdb=" O GLY C 140 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU C 142 " --> pdb=" O ILE C 5 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ILE C 7 " --> pdb=" O LEU C 142 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N SER C 171 " --> pdb=" O PHE C 141 " (cutoff:3.500A) removed outlier: 7.656A pdb=" N VAL C 143 " --> pdb=" O SER C 171 " (cutoff:3.500A) removed outlier: 6.287A pdb=" N LEU C 173 " --> pdb=" O VAL C 143 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N HIS C 145 " --> pdb=" O LEU C 173 " (cutoff:3.500A) removed outlier: 6.078A pdb=" N PHE C 175 " --> pdb=" O HIS C 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS C 206 " --> pdb=" O GLU C 174 " (cutoff:3.500A) removed outlier: 8.250A pdb=" N SER C 176 " --> pdb=" O CYS C 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE C 208 " --> pdb=" O SER C 176 " (cutoff:3.500A) removed outlier: 7.533A pdb=" N TYR C 178 " --> pdb=" O PHE C 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL C 210 " --> pdb=" O TYR C 178 " (cutoff:3.500A) Processing sheet with id= AF, first strand: chain 'C' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL C 68 " --> pdb=" O SER C 60 " (cutoff:3.500A) Processing sheet with id= AG, first strand: chain 'C' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU C 324 " --> pdb=" O CYS C 382 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU C 384 " --> pdb=" O CYS C 322 " (cutoff:3.500A) Processing sheet with id= AH, first strand: chain 'L' and resid 63 through 66 removed outlier: 8.891A pdb=" N ILE L 64 " --> pdb=" O ILE L 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS L 6 " --> pdb=" O ILE L 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL L 66 " --> pdb=" O HIS L 6 " (cutoff:3.500A) removed outlier: 6.182A pdb=" N GLN L 8 " --> pdb=" O VAL L 66 " (cutoff:3.500A) removed outlier: 7.602A pdb=" N VAL L 5 " --> pdb=" O GLN L 131 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N PHE L 133 " --> pdb=" O VAL L 5 " (cutoff:3.500A) removed outlier: 7.015A pdb=" N ILE L 7 " --> pdb=" O PHE L 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU L 135 " --> pdb=" O ILE L 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA L 9 " --> pdb=" O LEU L 135 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N HIS L 137 " --> pdb=" O ALA L 9 " (cutoff:3.500A) removed outlier: 7.187A pdb=" N ILE L 163 " --> pdb=" O PHE L 133 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N LEU L 135 " --> pdb=" O ILE L 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN L 165 " --> pdb=" O LEU L 135 " (cutoff:3.500A) removed outlier: 7.911A pdb=" N HIS L 137 " --> pdb=" O ASN L 165 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N PHE L 167 " --> pdb=" O HIS L 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR L 200 " --> pdb=" O SER L 168 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N MET L 170 " --> pdb=" O TYR L 200 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N ILE L 202 " --> pdb=" O MET L 170 " (cutoff:3.500A) Processing sheet with id= AI, first strand: chain 'L' and resid 51 through 53 removed outlier: 3.564A pdb=" N VAL L 60 " --> pdb=" O ASN L 52 " (cutoff:3.500A) Processing sheet with id= AJ, first strand: chain 'L' and resid 269 through 271 Processing sheet with id= AK, first strand: chain 'U' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG U 50 " --> pdb=" O VAL U 11 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LYS U 10 " --> pdb=" O THR U 296 " (cutoff:3.500A) removed outlier: 7.323A pdb=" N ASN U 78 " --> pdb=" O ARG U 295 " (cutoff:3.500A) removed outlier: 8.209A pdb=" N THR U 297 " --> pdb=" O ASN U 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR U 80 " --> pdb=" O THR U 297 " (cutoff:3.500A) removed outlier: 7.643A pdb=" N VAL U 299 " --> pdb=" O THR U 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE U 82 " --> pdb=" O VAL U 299 " (cutoff:3.500A) removed outlier: 7.945A pdb=" N CYS U 301 " --> pdb=" O PHE U 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR U 84 " --> pdb=" O CYS U 301 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY U 79 " --> pdb=" O LYS U 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR U 228 " --> pdb=" O GLY U 79 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N ALA U 83 " --> pdb=" O VAL U 230 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LYS U 213 " --> pdb=" O HIS U 129 " (cutoff:3.500A) Processing sheet with id= AL, first strand: chain 'U' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR U 38 " --> pdb=" O GLN U 34 " (cutoff:3.500A) Processing sheet with id= AM, first strand: chain 'U' and resid 207 through 210 Processing sheet with id= AN, first strand: chain 'U' and resid 155 through 157 Processing sheet with id= AO, first strand: chain 'D' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER D 6 " --> pdb=" O VAL D 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL D 74 " --> pdb=" O SER D 6 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N HIS D 8 " --> pdb=" O VAL D 74 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N ILE D 5 " --> pdb=" O GLY D 140 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LEU D 142 " --> pdb=" O ILE D 5 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE D 7 " --> pdb=" O LEU D 142 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N SER D 171 " --> pdb=" O PHE D 141 " (cutoff:3.500A) removed outlier: 7.657A pdb=" N VAL D 143 " --> pdb=" O SER D 171 " (cutoff:3.500A) removed outlier: 6.288A pdb=" N LEU D 173 " --> pdb=" O VAL D 143 " (cutoff:3.500A) removed outlier: 7.709A pdb=" N HIS D 145 " --> pdb=" O LEU D 173 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N PHE D 175 " --> pdb=" O HIS D 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS D 206 " --> pdb=" O GLU D 174 " (cutoff:3.500A) removed outlier: 8.249A pdb=" N SER D 176 " --> pdb=" O CYS D 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE D 208 " --> pdb=" O SER D 176 " (cutoff:3.500A) removed outlier: 7.533A pdb=" N TYR D 178 " --> pdb=" O PHE D 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL D 210 " --> pdb=" O TYR D 178 " (cutoff:3.500A) Processing sheet with id= AP, first strand: chain 'D' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL D 68 " --> pdb=" O SER D 60 " (cutoff:3.500A) Processing sheet with id= AQ, first strand: chain 'D' and resid 277 through 279 removed outlier: 3.676A pdb=" N LEU D 324 " --> pdb=" O CYS D 382 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU D 384 " --> pdb=" O CYS D 322 " (cutoff:3.500A) Processing sheet with id= AR, first strand: chain 'M' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE M 64 " --> pdb=" O ILE M 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS M 6 " --> pdb=" O ILE M 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL M 66 " --> pdb=" O HIS M 6 " (cutoff:3.500A) removed outlier: 6.182A pdb=" N GLN M 8 " --> pdb=" O VAL M 66 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N VAL M 5 " --> pdb=" O GLN M 131 " (cutoff:3.500A) removed outlier: 4.543A pdb=" N PHE M 133 " --> pdb=" O VAL M 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE M 7 " --> pdb=" O PHE M 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU M 135 " --> pdb=" O ILE M 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA M 9 " --> pdb=" O LEU M 135 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N HIS M 137 " --> pdb=" O ALA M 9 " (cutoff:3.500A) removed outlier: 7.186A pdb=" N ILE M 163 " --> pdb=" O PHE M 133 " (cutoff:3.500A) removed outlier: 8.463A pdb=" N LEU M 135 " --> pdb=" O ILE M 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN M 165 " --> pdb=" O LEU M 135 " (cutoff:3.500A) removed outlier: 7.912A pdb=" N HIS M 137 " --> pdb=" O ASN M 165 " (cutoff:3.500A) removed outlier: 6.211A pdb=" N PHE M 167 " --> pdb=" O HIS M 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR M 200 " --> pdb=" O SER M 168 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N MET M 170 " --> pdb=" O TYR M 200 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N ILE M 202 " --> pdb=" O MET M 170 " (cutoff:3.500A) Processing sheet with id= AS, first strand: chain 'M' and resid 51 through 53 removed outlier: 3.566A pdb=" N VAL M 60 " --> pdb=" O ASN M 52 " (cutoff:3.500A) Processing sheet with id= AT, first strand: chain 'M' and resid 269 through 271 Processing sheet with id= AU, first strand: chain 'V' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG V 50 " --> pdb=" O VAL V 11 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYS V 10 " --> pdb=" O THR V 296 " (cutoff:3.500A) removed outlier: 7.323A pdb=" N ASN V 78 " --> pdb=" O ARG V 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR V 297 " --> pdb=" O ASN V 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR V 80 " --> pdb=" O THR V 297 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N VAL V 299 " --> pdb=" O THR V 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE V 82 " --> pdb=" O VAL V 299 " (cutoff:3.500A) removed outlier: 7.945A pdb=" N CYS V 301 " --> pdb=" O PHE V 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR V 84 " --> pdb=" O CYS V 301 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY V 79 " --> pdb=" O LYS V 226 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N TYR V 228 " --> pdb=" O GLY V 79 " (cutoff:3.500A) removed outlier: 4.334A pdb=" N ALA V 83 " --> pdb=" O VAL V 230 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS V 213 " --> pdb=" O HIS V 129 " (cutoff:3.500A) Processing sheet with id= AV, first strand: chain 'V' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR V 38 " --> pdb=" O GLN V 34 " (cutoff:3.500A) Processing sheet with id= AW, first strand: chain 'V' and resid 207 through 210 Processing sheet with id= AX, first strand: chain 'V' and resid 155 through 157 Processing sheet with id= AY, first strand: chain 'E' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER E 6 " --> pdb=" O VAL E 72 " (cutoff:3.500A) removed outlier: 8.241A pdb=" N VAL E 74 " --> pdb=" O SER E 6 " (cutoff:3.500A) removed outlier: 5.979A pdb=" N HIS E 8 " --> pdb=" O VAL E 74 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N ILE E 5 " --> pdb=" O GLY E 140 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LEU E 142 " --> pdb=" O ILE E 5 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE E 7 " --> pdb=" O LEU E 142 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N SER E 171 " --> pdb=" O PHE E 141 " (cutoff:3.500A) removed outlier: 7.657A pdb=" N VAL E 143 " --> pdb=" O SER E 171 " (cutoff:3.500A) removed outlier: 6.288A pdb=" N LEU E 173 " --> pdb=" O VAL E 143 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N HIS E 145 " --> pdb=" O LEU E 173 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N PHE E 175 " --> pdb=" O HIS E 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS E 206 " --> pdb=" O GLU E 174 " (cutoff:3.500A) removed outlier: 8.250A pdb=" N SER E 176 " --> pdb=" O CYS E 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE E 208 " --> pdb=" O SER E 176 " (cutoff:3.500A) removed outlier: 7.532A pdb=" N TYR E 178 " --> pdb=" O PHE E 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL E 210 " --> pdb=" O TYR E 178 " (cutoff:3.500A) Processing sheet with id= AZ, first strand: chain 'E' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL E 68 " --> pdb=" O SER E 60 " (cutoff:3.500A) Processing sheet with id= BA, first strand: chain 'E' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU E 324 " --> pdb=" O CYS E 382 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU E 384 " --> pdb=" O CYS E 322 " (cutoff:3.500A) Processing sheet with id= BB, first strand: chain 'N' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE N 64 " --> pdb=" O ILE N 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS N 6 " --> pdb=" O ILE N 64 " (cutoff:3.500A) removed outlier: 8.245A pdb=" N VAL N 66 " --> pdb=" O HIS N 6 " (cutoff:3.500A) removed outlier: 6.183A pdb=" N GLN N 8 " --> pdb=" O VAL N 66 " (cutoff:3.500A) removed outlier: 7.604A pdb=" N VAL N 5 " --> pdb=" O GLN N 131 " (cutoff:3.500A) removed outlier: 4.543A pdb=" N PHE N 133 " --> pdb=" O VAL N 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE N 7 " --> pdb=" O PHE N 133 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N LEU N 135 " --> pdb=" O ILE N 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA N 9 " --> pdb=" O LEU N 135 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N HIS N 137 " --> pdb=" O ALA N 9 " (cutoff:3.500A) removed outlier: 7.187A pdb=" N ILE N 163 " --> pdb=" O PHE N 133 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N LEU N 135 " --> pdb=" O ILE N 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN N 165 " --> pdb=" O LEU N 135 " (cutoff:3.500A) removed outlier: 7.910A pdb=" N HIS N 137 " --> pdb=" O ASN N 165 " (cutoff:3.500A) removed outlier: 6.213A pdb=" N PHE N 167 " --> pdb=" O HIS N 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR N 200 " --> pdb=" O SER N 168 " (cutoff:3.500A) removed outlier: 6.675A pdb=" N MET N 170 " --> pdb=" O TYR N 200 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N ILE N 202 " --> pdb=" O MET N 170 " (cutoff:3.500A) Processing sheet with id= BC, first strand: chain 'N' and resid 51 through 53 removed outlier: 3.565A pdb=" N VAL N 60 " --> pdb=" O ASN N 52 " (cutoff:3.500A) Processing sheet with id= BD, first strand: chain 'N' and resid 269 through 271 Processing sheet with id= BE, first strand: chain 'W' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG W 50 " --> pdb=" O VAL W 11 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LYS W 10 " --> pdb=" O THR W 296 " (cutoff:3.500A) removed outlier: 7.323A pdb=" N ASN W 78 " --> pdb=" O ARG W 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR W 297 " --> pdb=" O ASN W 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR W 80 " --> pdb=" O THR W 297 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N VAL W 299 " --> pdb=" O THR W 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE W 82 " --> pdb=" O VAL W 299 " (cutoff:3.500A) removed outlier: 7.946A pdb=" N CYS W 301 " --> pdb=" O PHE W 82 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N TYR W 84 " --> pdb=" O CYS W 301 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY W 79 " --> pdb=" O LYS W 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR W 228 " --> pdb=" O GLY W 79 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALA W 83 " --> pdb=" O VAL W 230 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYS W 213 " --> pdb=" O HIS W 129 " (cutoff:3.500A) Processing sheet with id= BF, first strand: chain 'W' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR W 38 " --> pdb=" O GLN W 34 " (cutoff:3.500A) Processing sheet with id= BG, first strand: chain 'W' and resid 207 through 210 Processing sheet with id= BH, first strand: chain 'W' and resid 155 through 157 Processing sheet with id= BI, first strand: chain 'F' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER F 6 " --> pdb=" O VAL F 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL F 74 " --> pdb=" O SER F 6 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N HIS F 8 " --> pdb=" O VAL F 74 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N ILE F 5 " --> pdb=" O GLY F 140 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU F 142 " --> pdb=" O ILE F 5 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ILE F 7 " --> pdb=" O LEU F 142 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N SER F 171 " --> pdb=" O PHE F 141 " (cutoff:3.500A) removed outlier: 7.656A pdb=" N VAL F 143 " --> pdb=" O SER F 171 " (cutoff:3.500A) removed outlier: 6.288A pdb=" N LEU F 173 " --> pdb=" O VAL F 143 " (cutoff:3.500A) removed outlier: 7.709A pdb=" N HIS F 145 " --> pdb=" O LEU F 173 " (cutoff:3.500A) removed outlier: 6.077A pdb=" N PHE F 175 " --> pdb=" O HIS F 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS F 206 " --> pdb=" O GLU F 174 " (cutoff:3.500A) removed outlier: 8.250A pdb=" N SER F 176 " --> pdb=" O CYS F 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE F 208 " --> pdb=" O SER F 176 " (cutoff:3.500A) removed outlier: 7.533A pdb=" N TYR F 178 " --> pdb=" O PHE F 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL F 210 " --> pdb=" O TYR F 178 " (cutoff:3.500A) Processing sheet with id= BJ, first strand: chain 'F' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL F 68 " --> pdb=" O SER F 60 " (cutoff:3.500A) Processing sheet with id= BK, first strand: chain 'F' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU F 324 " --> pdb=" O CYS F 382 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LEU F 384 " --> pdb=" O CYS F 322 " (cutoff:3.500A) Processing sheet with id= BL, first strand: chain 'O' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE O 64 " --> pdb=" O ILE O 4 " (cutoff:3.500A) removed outlier: 7.397A pdb=" N HIS O 6 " --> pdb=" O ILE O 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL O 66 " --> pdb=" O HIS O 6 " (cutoff:3.500A) removed outlier: 6.183A pdb=" N GLN O 8 " --> pdb=" O VAL O 66 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N VAL O 5 " --> pdb=" O GLN O 131 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N PHE O 133 " --> pdb=" O VAL O 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE O 7 " --> pdb=" O PHE O 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU O 135 " --> pdb=" O ILE O 7 " (cutoff:3.500A) removed outlier: 7.319A pdb=" N ALA O 9 " --> pdb=" O LEU O 135 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N HIS O 137 " --> pdb=" O ALA O 9 " (cutoff:3.500A) removed outlier: 7.187A pdb=" N ILE O 163 " --> pdb=" O PHE O 133 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N LEU O 135 " --> pdb=" O ILE O 163 " (cutoff:3.500A) removed outlier: 6.803A pdb=" N ASN O 165 " --> pdb=" O LEU O 135 " (cutoff:3.500A) removed outlier: 7.911A pdb=" N HIS O 137 " --> pdb=" O ASN O 165 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N PHE O 167 " --> pdb=" O HIS O 137 " (cutoff:3.500A) removed outlier: 5.659A pdb=" N TYR O 200 " --> pdb=" O SER O 168 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N MET O 170 " --> pdb=" O TYR O 200 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N ILE O 202 " --> pdb=" O MET O 170 " (cutoff:3.500A) Processing sheet with id= BM, first strand: chain 'O' and resid 51 through 53 removed outlier: 3.566A pdb=" N VAL O 60 " --> pdb=" O ASN O 52 " (cutoff:3.500A) Processing sheet with id= BN, first strand: chain 'O' and resid 269 through 271 Processing sheet with id= BO, first strand: chain 'X' and resid 50 through 52 removed outlier: 4.016A pdb=" N ARG X 50 " --> pdb=" O VAL X 11 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LYS X 10 " --> pdb=" O THR X 296 " (cutoff:3.500A) removed outlier: 7.324A pdb=" N ASN X 78 " --> pdb=" O ARG X 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR X 297 " --> pdb=" O ASN X 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR X 80 " --> pdb=" O THR X 297 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N VAL X 299 " --> pdb=" O THR X 80 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N PHE X 82 " --> pdb=" O VAL X 299 " (cutoff:3.500A) removed outlier: 7.946A pdb=" N CYS X 301 " --> pdb=" O PHE X 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR X 84 " --> pdb=" O CYS X 301 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY X 79 " --> pdb=" O LYS X 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR X 228 " --> pdb=" O GLY X 79 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALA X 83 " --> pdb=" O VAL X 230 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LYS X 213 " --> pdb=" O HIS X 129 " (cutoff:3.500A) Processing sheet with id= BP, first strand: chain 'X' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR X 38 " --> pdb=" O GLN X 34 " (cutoff:3.500A) Processing sheet with id= BQ, first strand: chain 'X' and resid 207 through 210 Processing sheet with id= BR, first strand: chain 'X' and resid 155 through 157 Processing sheet with id= BS, first strand: chain 'G' and resid 71 through 74 removed outlier: 7.231A pdb=" N SER G 6 " --> pdb=" O VAL G 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL G 74 " --> pdb=" O SER G 6 " (cutoff:3.500A) removed outlier: 5.977A pdb=" N HIS G 8 " --> pdb=" O VAL G 74 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N ILE G 5 " --> pdb=" O GLY G 140 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU G 142 " --> pdb=" O ILE G 5 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ILE G 7 " --> pdb=" O LEU G 142 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N SER G 171 " --> pdb=" O PHE G 141 " (cutoff:3.500A) removed outlier: 7.656A pdb=" N VAL G 143 " --> pdb=" O SER G 171 " (cutoff:3.500A) removed outlier: 6.288A pdb=" N LEU G 173 " --> pdb=" O VAL G 143 " (cutoff:3.500A) removed outlier: 7.708A pdb=" N HIS G 145 " --> pdb=" O LEU G 173 " (cutoff:3.500A) removed outlier: 6.078A pdb=" N PHE G 175 " --> pdb=" O HIS G 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS G 206 " --> pdb=" O GLU G 174 " (cutoff:3.500A) removed outlier: 8.249A pdb=" N SER G 176 " --> pdb=" O CYS G 206 " (cutoff:3.500A) removed outlier: 6.835A pdb=" N PHE G 208 " --> pdb=" O SER G 176 " (cutoff:3.500A) removed outlier: 7.532A pdb=" N TYR G 178 " --> pdb=" O PHE G 208 " (cutoff:3.500A) removed outlier: 6.116A pdb=" N VAL G 210 " --> pdb=" O TYR G 178 " (cutoff:3.500A) Processing sheet with id= BT, first strand: chain 'G' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL G 68 " --> pdb=" O SER G 60 " (cutoff:3.500A) Processing sheet with id= BU, first strand: chain 'G' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU G 324 " --> pdb=" O CYS G 382 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LEU G 384 " --> pdb=" O CYS G 322 " (cutoff:3.500A) Processing sheet with id= BV, first strand: chain 'P' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE P 64 " --> pdb=" O ILE P 4 " (cutoff:3.500A) removed outlier: 7.396A pdb=" N HIS P 6 " --> pdb=" O ILE P 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL P 66 " --> pdb=" O HIS P 6 " (cutoff:3.500A) removed outlier: 6.183A pdb=" N GLN P 8 " --> pdb=" O VAL P 66 " (cutoff:3.500A) removed outlier: 7.602A pdb=" N VAL P 5 " --> pdb=" O GLN P 131 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N PHE P 133 " --> pdb=" O VAL P 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE P 7 " --> pdb=" O PHE P 133 " (cutoff:3.500A) removed outlier: 4.317A pdb=" N LEU P 135 " --> pdb=" O ILE P 7 " (cutoff:3.500A) removed outlier: 7.319A pdb=" N ALA P 9 " --> pdb=" O LEU P 135 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N HIS P 137 " --> pdb=" O ALA P 9 " (cutoff:3.500A) removed outlier: 7.186A pdb=" N ILE P 163 " --> pdb=" O PHE P 133 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N LEU P 135 " --> pdb=" O ILE P 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN P 165 " --> pdb=" O LEU P 135 " (cutoff:3.500A) removed outlier: 7.912A pdb=" N HIS P 137 " --> pdb=" O ASN P 165 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N PHE P 167 " --> pdb=" O HIS P 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR P 200 " --> pdb=" O SER P 168 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N MET P 170 " --> pdb=" O TYR P 200 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N ILE P 202 " --> pdb=" O MET P 170 " (cutoff:3.500A) Processing sheet with id= BW, first strand: chain 'P' and resid 51 through 53 removed outlier: 3.565A pdb=" N VAL P 60 " --> pdb=" O ASN P 52 " (cutoff:3.500A) Processing sheet with id= BX, first strand: chain 'P' and resid 269 through 271 Processing sheet with id= BY, first strand: chain 'Z' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG Z 50 " --> pdb=" O VAL Z 11 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYS Z 10 " --> pdb=" O THR Z 296 " (cutoff:3.500A) removed outlier: 7.323A pdb=" N ASN Z 78 " --> pdb=" O ARG Z 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR Z 297 " --> pdb=" O ASN Z 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR Z 80 " --> pdb=" O THR Z 297 " (cutoff:3.500A) removed outlier: 7.643A pdb=" N VAL Z 299 " --> pdb=" O THR Z 80 " (cutoff:3.500A) removed outlier: 6.791A pdb=" N PHE Z 82 " --> pdb=" O VAL Z 299 " (cutoff:3.500A) removed outlier: 7.946A pdb=" N CYS Z 301 " --> pdb=" O PHE Z 82 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N TYR Z 84 " --> pdb=" O CYS Z 301 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLY Z 79 " --> pdb=" O LYS Z 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR Z 228 " --> pdb=" O GLY Z 79 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALA Z 83 " --> pdb=" O VAL Z 230 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LYS Z 213 " --> pdb=" O HIS Z 129 " (cutoff:3.500A) Processing sheet with id= BZ, first strand: chain 'Z' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR Z 38 " --> pdb=" O GLN Z 34 " (cutoff:3.500A) Processing sheet with id= CA, first strand: chain 'Z' and resid 207 through 210 Processing sheet with id= CB, first strand: chain 'Z' and resid 155 through 157 Processing sheet with id= CC, first strand: chain 'H' and resid 71 through 74 removed outlier: 7.232A pdb=" N SER H 6 " --> pdb=" O VAL H 72 " (cutoff:3.500A) removed outlier: 8.240A pdb=" N VAL H 74 " --> pdb=" O SER H 6 " (cutoff:3.500A) removed outlier: 5.977A pdb=" N HIS H 8 " --> pdb=" O VAL H 74 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N ILE H 5 " --> pdb=" O GLY H 140 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LEU H 142 " --> pdb=" O ILE H 5 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N ILE H 7 " --> pdb=" O LEU H 142 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N SER H 171 " --> pdb=" O PHE H 141 " (cutoff:3.500A) removed outlier: 7.657A pdb=" N VAL H 143 " --> pdb=" O SER H 171 " (cutoff:3.500A) removed outlier: 6.287A pdb=" N LEU H 173 " --> pdb=" O VAL H 143 " (cutoff:3.500A) removed outlier: 7.709A pdb=" N HIS H 145 " --> pdb=" O LEU H 173 " (cutoff:3.500A) removed outlier: 6.078A pdb=" N PHE H 175 " --> pdb=" O HIS H 145 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N CYS H 206 " --> pdb=" O GLU H 174 " (cutoff:3.500A) removed outlier: 8.249A pdb=" N SER H 176 " --> pdb=" O CYS H 206 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N PHE H 208 " --> pdb=" O SER H 176 " (cutoff:3.500A) removed outlier: 7.532A pdb=" N TYR H 178 " --> pdb=" O PHE H 208 " (cutoff:3.500A) removed outlier: 6.117A pdb=" N VAL H 210 " --> pdb=" O TYR H 178 " (cutoff:3.500A) Processing sheet with id= CD, first strand: chain 'H' and resid 59 through 61 removed outlier: 3.707A pdb=" N VAL H 68 " --> pdb=" O SER H 60 " (cutoff:3.500A) Processing sheet with id= CE, first strand: chain 'H' and resid 277 through 279 removed outlier: 3.675A pdb=" N LEU H 324 " --> pdb=" O CYS H 382 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LEU H 384 " --> pdb=" O CYS H 322 " (cutoff:3.500A) Processing sheet with id= CF, first strand: chain 'R' and resid 63 through 66 removed outlier: 8.890A pdb=" N ILE R 64 " --> pdb=" O ILE R 4 " (cutoff:3.500A) removed outlier: 7.395A pdb=" N HIS R 6 " --> pdb=" O ILE R 64 " (cutoff:3.500A) removed outlier: 8.246A pdb=" N VAL R 66 " --> pdb=" O HIS R 6 " (cutoff:3.500A) removed outlier: 6.183A pdb=" N GLN R 8 " --> pdb=" O VAL R 66 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N VAL R 5 " --> pdb=" O GLN R 131 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N PHE R 133 " --> pdb=" O VAL R 5 " (cutoff:3.500A) removed outlier: 7.014A pdb=" N ILE R 7 " --> pdb=" O PHE R 133 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N LEU R 135 " --> pdb=" O ILE R 7 " (cutoff:3.500A) removed outlier: 7.318A pdb=" N ALA R 9 " --> pdb=" O LEU R 135 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N HIS R 137 " --> pdb=" O ALA R 9 " (cutoff:3.500A) removed outlier: 7.186A pdb=" N ILE R 163 " --> pdb=" O PHE R 133 " (cutoff:3.500A) removed outlier: 8.464A pdb=" N LEU R 135 " --> pdb=" O ILE R 163 " (cutoff:3.500A) removed outlier: 6.802A pdb=" N ASN R 165 " --> pdb=" O LEU R 135 " (cutoff:3.500A) removed outlier: 7.912A pdb=" N HIS R 137 " --> pdb=" O ASN R 165 " (cutoff:3.500A) removed outlier: 6.212A pdb=" N PHE R 167 " --> pdb=" O HIS R 137 " (cutoff:3.500A) removed outlier: 5.660A pdb=" N TYR R 200 " --> pdb=" O SER R 168 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N MET R 170 " --> pdb=" O TYR R 200 " (cutoff:3.500A) removed outlier: 6.432A pdb=" N ILE R 202 " --> pdb=" O MET R 170 " (cutoff:3.500A) Processing sheet with id= CG, first strand: chain 'R' and resid 51 through 53 removed outlier: 3.565A pdb=" N VAL R 60 " --> pdb=" O ASN R 52 " (cutoff:3.500A) Processing sheet with id= CH, first strand: chain 'R' and resid 269 through 271 Processing sheet with id= CI, first strand: chain 'a' and resid 50 through 52 removed outlier: 4.015A pdb=" N ARG a 50 " --> pdb=" O VAL a 11 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYS a 10 " --> pdb=" O THR a 296 " (cutoff:3.500A) removed outlier: 7.324A pdb=" N ASN a 78 " --> pdb=" O ARG a 295 " (cutoff:3.500A) removed outlier: 8.208A pdb=" N THR a 297 " --> pdb=" O ASN a 78 " (cutoff:3.500A) removed outlier: 6.912A pdb=" N THR a 80 " --> pdb=" O THR a 297 " (cutoff:3.500A) removed outlier: 7.642A pdb=" N VAL a 299 " --> pdb=" O THR a 80 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N PHE a 82 " --> pdb=" O VAL a 299 " (cutoff:3.500A) removed outlier: 7.946A pdb=" N CYS a 301 " --> pdb=" O PHE a 82 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N TYR a 84 " --> pdb=" O CYS a 301 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY a 79 " --> pdb=" O LYS a 226 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N TYR a 228 " --> pdb=" O GLY a 79 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N ALA a 83 " --> pdb=" O VAL a 230 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LYS a 213 " --> pdb=" O HIS a 129 " (cutoff:3.500A) Processing sheet with id= CJ, first strand: chain 'a' and resid 32 through 34 removed outlier: 3.630A pdb=" N THR a 38 " --> pdb=" O GLN a 34 " (cutoff:3.500A) Processing sheet with id= CK, first strand: chain 'a' and resid 207 through 210 Processing sheet with id= CL, first strand: chain 'a' and resid 155 through 157 2730 hydrogen bonds defined for protein. 7191 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: 37.57 Time building geometry restraints manager: 29.42 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: 21547 1.49 - 1.63: 35099 1.63 - 1.76: 27 1.76 - 1.90: 891 Bond restraints: 85860 Sorted by residual: bond pdb=" C1' G2P P 502 " pdb=" C2' G2P P 502 " ideal model delta sigma weight residual 1.537 1.268 0.269 2.00e-02 2.50e+03 1.81e+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 1.80e+02 bond pdb=" C1' G2P O 502 " pdb=" C2' G2P O 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 M 502 " pdb=" C2' G2P M 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 ... (remaining 85855 not shown) Histogram of bond angle deviations from ideal: 100.36 - 107.54: 3362 107.54 - 114.72: 48820 114.72 - 121.90: 44463 121.90 - 129.08: 18987 129.08 - 136.26: 810 Bond angle restraints: 116442 Sorted by residual: angle pdb=" PB ATP Z 401 " pdb=" O3B ATP Z 401 " pdb=" PG ATP Z 401 " ideal model delta sigma weight residual 139.87 120.69 19.18 1.00e+00 1.00e+00 3.68e+02 angle pdb=" PB ATP W 401 " pdb=" O3B ATP W 401 " pdb=" PG ATP W 401 " ideal model delta sigma weight residual 139.87 120.71 19.16 1.00e+00 1.00e+00 3.67e+02 angle pdb=" PB ATP U 401 " pdb=" O3B ATP U 401 " pdb=" PG ATP U 401 " ideal model delta sigma weight residual 139.87 120.71 19.16 1.00e+00 1.00e+00 3.67e+02 angle pdb=" PB ATP Y 401 " pdb=" O3B ATP Y 401 " pdb=" PG ATP Y 401 " ideal model delta sigma weight residual 139.87 120.72 19.15 1.00e+00 1.00e+00 3.67e+02 angle pdb=" PB ATP V 401 " pdb=" O3B ATP V 401 " pdb=" PG ATP V 401 " ideal model delta sigma weight residual 139.87 120.72 19.15 1.00e+00 1.00e+00 3.67e+02 ... (remaining 116437 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 26.11: 49936 26.11 - 52.23: 1436 52.23 - 78.34: 324 78.34 - 104.45: 63 104.45 - 130.56: 18 Dihedral angle restraints: 51777 sinusoidal: 21069 harmonic: 30708 Sorted by residual: dihedral pdb=" C8 GTP R 501 " pdb=" C1' GTP R 501 " pdb=" N9 GTP R 501 " pdb=" O4' GTP R 501 " ideal model delta sinusoidal sigma weight residual 104.59 -25.97 130.56 1 2.00e+01 2.50e-03 3.96e+01 dihedral pdb=" C8 GTP M 501 " pdb=" C1' GTP M 501 " pdb=" N9 GTP M 501 " pdb=" O4' GTP M 501 " ideal model delta sinusoidal sigma weight residual 104.59 -25.92 130.52 1 2.00e+01 2.50e-03 3.96e+01 dihedral pdb=" C8 GTP K 501 " pdb=" C1' GTP K 501 " pdb=" N9 GTP K 501 " pdb=" O4' GTP K 501 " ideal model delta sinusoidal sigma weight residual 104.59 -25.91 130.50 1 2.00e+01 2.50e-03 3.96e+01 ... (remaining 51774 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.050: 10205 0.050 - 0.100: 2057 0.100 - 0.149: 498 0.149 - 0.199: 56 0.199 - 0.249: 9 Chirality restraints: 12825 Sorted by residual: chirality pdb=" C3' G2P Q 502 " pdb=" C2' G2P Q 502 " pdb=" C4' G2P Q 502 " pdb=" O3' G2P Q 502 " both_signs ideal model delta sigma weight residual False -2.71 -2.46 -0.25 2.00e-01 2.50e+01 1.55e+00 chirality pdb=" C3' G2P L 502 " pdb=" C2' G2P L 502 " pdb=" C4' G2P L 502 " pdb=" O3' G2P L 502 " both_signs ideal model delta sigma weight residual False -2.71 -2.46 -0.25 2.00e-01 2.50e+01 1.54e+00 chirality pdb=" C3' G2P J 502 " pdb=" C2' G2P J 502 " pdb=" C4' G2P J 502 " pdb=" O3' G2P J 502 " both_signs ideal model delta sigma weight residual False -2.71 -2.46 -0.25 2.00e-01 2.50e+01 1.52e+00 ... (remaining 12822 not shown) Planarity restraints: 15075 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ILE T 108 " -0.030 5.00e-02 4.00e+02 4.57e-02 3.35e+00 pdb=" N PRO T 109 " 0.079 5.00e-02 4.00e+02 pdb=" CA PRO T 109 " -0.022 5.00e-02 4.00e+02 pdb=" CD PRO T 109 " -0.026 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ILE Z 108 " -0.030 5.00e-02 4.00e+02 4.55e-02 3.32e+00 pdb=" N PRO Z 109 " 0.079 5.00e-02 4.00e+02 pdb=" CA PRO Z 109 " -0.022 5.00e-02 4.00e+02 pdb=" CD PRO Z 109 " -0.026 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ILE U 108 " -0.030 5.00e-02 4.00e+02 4.55e-02 3.32e+00 pdb=" N PRO U 109 " 0.079 5.00e-02 4.00e+02 pdb=" CA PRO U 109 " -0.022 5.00e-02 4.00e+02 pdb=" CD PRO U 109 " -0.026 5.00e-02 4.00e+02 ... (remaining 15072 not shown) Histogram of nonbonded interaction distances: 2.13 - 2.68: 2043 2.68 - 3.24: 84490 3.24 - 3.79: 131820 3.79 - 4.35: 189887 4.35 - 4.90: 300850 Nonbonded interactions: 709090 Sorted by model distance: nonbonded pdb=" OG1 THR F 185 " pdb=" O3' GTP O 501 " model vdw 2.131 2.440 nonbonded pdb=" OG1 THR C 185 " pdb=" O3' GTP L 501 " model vdw 2.131 2.440 nonbonded pdb=" OG1 THR E 185 " pdb=" O3' GTP N 501 " model vdw 2.131 2.440 nonbonded pdb=" OG1 THR G 185 " pdb=" O3' GTP P 501 " model vdw 2.131 2.440 nonbonded pdb=" OG1 THR H 185 " pdb=" O3' GTP R 501 " model vdw 2.131 2.440 ... (remaining 709085 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: 5.910 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: 0.060 Extract box with map and model: 27.910 Check model and map are aligned: 0.950 Set scattering table: 0.670 Process input model: 182.770 Find NCS groups from input model: 4.900 Set up NCS constraints: 0.930 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: 0.010 Load rotamer database and sin/cos tables:2.740 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 226.850 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6207 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 0.269 85860 Z= 0.500 Angle : 0.882 19.184 116442 Z= 0.506 Chirality : 0.045 0.249 12825 Planarity : 0.003 0.046 15075 Dihedral : 13.701 130.563 32067 Min Nonbonded Distance : 2.131 Molprobity Statistics. All-atom Clashscore : 3.33 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.24 % Favored : 97.76 % Rotamer: Outliers : 2.46 % Allowed : 5.09 % Favored : 92.45 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -3.93 (0.06), residues: 10530 helix: -3.08 (0.05), residues: 4041 sheet: -2.15 (0.11), residues: 1755 loop : -2.18 (0.08), residues: 4734 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP N 344 HIS 0.006 0.001 HIS G 113 PHE 0.015 0.001 PHE E 55 TYR 0.011 0.001 TYR R 50 ARG 0.003 0.001 ARG B 396 *********************** 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 3412 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 225 poor density : 3187 time to evaluate : 6.996 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: I 3 GLU cc_start: 0.4771 (mp0) cc_final: 0.4351 (mp0) REVERT: I 18 ASN cc_start: 0.7766 (p0) cc_final: 0.7561 (p0) REVERT: I 22 GLU cc_start: 0.7920 (pt0) cc_final: 0.7674 (pt0) REVERT: I 24 TYR cc_start: 0.7712 (m-80) cc_final: 0.7208 (m-80) REVERT: I 75 ASP cc_start: 0.6808 (t0) cc_final: 0.6572 (t0) REVERT: I 89 TYR cc_start: 0.5636 (m-80) cc_final: 0.4722 (m-80) REVERT: I 108 ASN cc_start: 0.5865 (t0) cc_final: 0.5570 (t0) REVERT: I 115 THR cc_start: 0.7628 (OUTLIER) cc_final: 0.7377 (p) REVERT: I 118 LYS cc_start: 0.8439 (mmtt) cc_final: 0.7662 (mmtt) REVERT: I 158 LEU cc_start: 0.8400 (tp) cc_final: 0.8164 (tp) REVERT: I 159 LEU cc_start: 0.8694 (tt) cc_final: 0.8414 (tp) REVERT: I 172 LYS cc_start: 0.6895 (mtmm) cc_final: 0.6325 (pttt) REVERT: I 174 GLU cc_start: 0.7019 (OUTLIER) cc_final: 0.5951 (mp0) REVERT: I 192 ASN cc_start: 0.7962 (m-40) cc_final: 0.7256 (m-40) REVERT: I 194 ILE cc_start: 0.8238 (tt) cc_final: 0.7970 (tt) REVERT: I 197 THR cc_start: 0.8077 (p) cc_final: 0.7738 (t) REVERT: I 217 ASP cc_start: 0.7501 (t0) cc_final: 0.7178 (t0) REVERT: I 232 ASN cc_start: 0.8256 (m-40) cc_final: 0.8018 (p0) REVERT: I 240 ILE cc_start: 0.7978 (mt) cc_final: 0.7738 (mt) REVERT: I 255 ASN cc_start: 0.6826 (m110) cc_final: 0.6468 (m-40) REVERT: I 290 GLU cc_start: 0.7378 (tp30) cc_final: 0.6897 (tp30) REVERT: I 309 VAL cc_start: 0.8433 (p) cc_final: 0.8155 (t) REVERT: I 310 LYS cc_start: 0.7298 (mtpt) cc_final: 0.6815 (mtpt) REVERT: I 319 MET cc_start: 0.5862 (mmm) cc_final: 0.5518 (mmm) REVERT: I 325 TYR cc_start: 0.7705 (m-80) cc_final: 0.7446 (m-80) REVERT: I 340 THR cc_start: 0.8464 (p) cc_final: 0.8204 (m) REVERT: I 344 LYS cc_start: 0.8565 (ttpt) cc_final: 0.8230 (ttpt) REVERT: I 358 LYS cc_start: 0.6983 (tptt) cc_final: 0.6739 (tptt) REVERT: I 362 ASN cc_start: 0.7018 (t0) cc_final: 0.6350 (t0) REVERT: I 376 LYS cc_start: 0.8017 (tmtt) cc_final: 0.7558 (tmtt) REVERT: I 378 GLN cc_start: 0.6539 (mp10) cc_final: 0.5987 (mm110) REVERT: I 383 MET cc_start: 0.7068 (tpt) cc_final: 0.6190 (tpt) REVERT: I 386 ASN cc_start: 0.6394 (t0) cc_final: 0.5592 (t0) REVERT: I 390 ILE cc_start: 0.7516 (tp) cc_final: 0.7196 (mm) REVERT: I 401 PHE cc_start: 0.7153 (t80) cc_final: 0.6772 (t80) REVERT: I 408 ARG cc_start: 0.8148 (mmt-90) cc_final: 0.7593 (mpt180) REVERT: I 410 PHE cc_start: 0.8518 (m-80) cc_final: 0.8131 (m-10) REVERT: I 424 PHE cc_start: 0.8069 (m-80) cc_final: 0.7797 (m-10) REVERT: I 434 LEU cc_start: 0.7613 (tt) cc_final: 0.7283 (tp) REVERT: Q 1 MET cc_start: 0.6381 (mmm) cc_final: 0.5822 (mmm) REVERT: Q 15 GLN cc_start: 0.8397 (mm110) cc_final: 0.8178 (mm110) REVERT: Q 19 LYS cc_start: 0.8011 (tptt) cc_final: 0.7002 (tptt) REVERT: Q 21 TRP cc_start: 0.7769 (m100) cc_final: 0.6727 (m100) REVERT: Q 22 GLU cc_start: 0.8544 (mt-10) cc_final: 0.7990 (mt-10) REVERT: Q 59 TYR cc_start: 0.7998 (m-80) cc_final: 0.7638 (m-80) REVERT: Q 103 LYS cc_start: 0.6849 (mttt) cc_final: 0.6157 (mmmm) REVERT: Q 113 VAL cc_start: 0.8445 (p) cc_final: 0.7736 (t) REVERT: Q 147 MET cc_start: 0.5688 (tmm) cc_final: 0.5431 (tmm) REVERT: Q 149 THR cc_start: 0.8370 (p) cc_final: 0.8048 (p) REVERT: Q 155 ILE cc_start: 0.7785 (mt) cc_final: 0.7562 (mt) REVERT: Q 193 VAL cc_start: 0.7981 (p) cc_final: 0.7671 (p) REVERT: Q 195 ASN cc_start: 0.6926 (m-40) cc_final: 0.6500 (m-40) REVERT: Q 204 ASN cc_start: 0.8418 (m-40) cc_final: 0.7961 (t0) REVERT: Q 233 MET cc_start: 0.8416 (mtp) cc_final: 0.7769 (mtt) REVERT: Q 261 PRO cc_start: 0.8058 (Cg_exo) cc_final: 0.7506 (Cg_endo) REVERT: Q 264 HIS cc_start: 0.7027 (p-80) cc_final: 0.6012 (p-80) REVERT: Q 265 PHE cc_start: 0.8149 (m-80) cc_final: 0.7867 (m-10) REVERT: Q 266 PHE cc_start: 0.7367 (m-10) cc_final: 0.7087 (m-10) REVERT: Q 276 ARG cc_start: 0.5985 (tpm170) cc_final: 0.5560 (tpm170) REVERT: Q 290 THR cc_start: 0.8389 (m) cc_final: 0.7513 (p) REVERT: Q 296 SER cc_start: 0.7436 (m) cc_final: 0.6631 (t) REVERT: Q 297 LYS cc_start: 0.8159 (ttmt) cc_final: 0.7763 (mtpt) REVERT: Q 312 THR cc_start: 0.6999 (OUTLIER) cc_final: 0.5687 (t) REVERT: Q 318 ARG cc_start: 0.7073 (mtp180) cc_final: 0.6237 (mtp85) REVERT: Q 326 VAL cc_start: 0.8887 (t) cc_final: 0.8443 (p) REVERT: Q 355 ASP cc_start: 0.7661 (m-30) cc_final: 0.7105 (m-30) REVERT: Q 383 GLU cc_start: 0.7417 (OUTLIER) cc_final: 0.7093 (pp20) REVERT: Q 392 LYS cc_start: 0.7990 (mtmm) cc_final: 0.7465 (mtmm) REVERT: Q 395 LEU cc_start: 0.7609 (mt) cc_final: 0.7095 (mt) REVERT: Q 403 MET cc_start: 0.5790 (ttt) cc_final: 0.5336 (ttt) REVERT: Q 421 GLU cc_start: 0.7423 (tt0) cc_final: 0.6904 (tt0) REVERT: Y 8 ASN cc_start: 0.5412 (m110) cc_final: 0.5091 (m110) REVERT: Y 41 ILE cc_start: 0.4510 (mm) cc_final: 0.4090 (mm) REVERT: Y 81 ILE cc_start: 0.7307 (mp) cc_final: 0.7097 (mp) REVERT: Y 105 MET cc_start: 0.4920 (ptt) cc_final: 0.4345 (ppp) REVERT: Y 197 MET cc_start: 0.6828 (tpt) cc_final: 0.6442 (tpt) REVERT: Y 313 LYS cc_start: 0.8403 (mtmt) cc_final: 0.8021 (mtmt) REVERT: Y 320 GLN cc_start: 0.7219 (mt0) cc_final: 0.6825 (mm-40) REVERT: A 6 SER cc_start: 0.6747 (p) cc_final: 0.6435 (p) REVERT: A 22 GLU cc_start: 0.7628 (pt0) cc_final: 0.7399 (pt0) REVERT: A 23 LEU cc_start: 0.7787 (tt) cc_final: 0.7542 (tt) REVERT: A 35 GLN cc_start: 0.6214 (pm20) cc_final: 0.5790 (pm20) REVERT: A 91 GLN cc_start: 0.7442 (mp10) cc_final: 0.6475 (mp10) REVERT: A 93 PHE cc_start: 0.6663 (m-80) cc_final: 0.6346 (m-80) REVERT: A 116 ILE cc_start: 0.7624 (mm) cc_final: 0.7312 (mp) REVERT: A 121 ILE cc_start: 0.8687 (pt) cc_final: 0.8275 (mm) REVERT: A 139 GLN cc_start: 0.7929 (mm-40) cc_final: 0.7651 (mm-40) REVERT: A 142 LEU cc_start: 0.7948 (pt) cc_final: 0.7451 (pt) REVERT: A 144 PHE cc_start: 0.7568 (m-80) cc_final: 0.7368 (m-80) REVERT: A 167 TYR cc_start: 0.5914 (m-80) cc_final: 0.5593 (m-10) REVERT: A 172 LYS cc_start: 0.7497 (mtmm) cc_final: 0.7259 (mtmm) REVERT: A 174 GLU cc_start: 0.6932 (OUTLIER) cc_final: 0.6071 (mp0) REVERT: A 175 PHE cc_start: 0.7747 (m-80) cc_final: 0.6513 (m-80) REVERT: A 188 VAL cc_start: 0.8102 (OUTLIER) cc_final: 0.7195 (p) REVERT: A 203 HIS cc_start: 0.7418 (m170) cc_final: 0.6589 (m90) REVERT: A 217 ASP cc_start: 0.7838 (t0) cc_final: 0.7303 (t0) REVERT: A 239 GLN cc_start: 0.7957 (mm110) cc_final: 0.7645 (mm-40) REVERT: A 250 PHE cc_start: 0.7270 (m-80) cc_final: 0.6953 (m-80) REVERT: A 290 GLU cc_start: 0.7556 (tp30) cc_final: 0.6962 (tp30) REVERT: A 312 ASP cc_start: 0.6631 (t0) cc_final: 0.6202 (t70) REVERT: A 318 TYR cc_start: 0.5514 (m-10) cc_final: 0.5266 (m-10) REVERT: A 319 MET cc_start: 0.5335 (mmm) cc_final: 0.5018 (mmm) REVERT: A 322 CYS cc_start: 0.5893 (p) cc_final: 0.5663 (p) REVERT: A 358 LYS cc_start: 0.7321 (tptt) cc_final: 0.6906 (tptt) REVERT: A 383 MET cc_start: 0.6100 (tpt) cc_final: 0.5767 (tpt) REVERT: A 426 GLU cc_start: 0.7714 (tp30) cc_final: 0.6747 (tp30) REVERT: A 429 GLU cc_start: 0.7063 (pp20) cc_final: 0.6439 (pp20) REVERT: A 431 MET cc_start: 0.8140 (tpp) cc_final: 0.7541 (ptt) REVERT: J 15 GLN cc_start: 0.8230 (mm110) cc_final: 0.8020 (mm-40) REVERT: J 22 GLU cc_start: 0.8376 (mt-10) cc_final: 0.7947 (mt-10) REVERT: J 45 GLU cc_start: 0.7640 (tm-30) cc_final: 0.7345 (tm-30) REVERT: J 52 ASN cc_start: 0.6047 (m110) cc_final: 0.5741 (m-40) REVERT: J 58 LYS cc_start: 0.7357 (tttt) cc_final: 0.7112 (tttt) REVERT: J 68 LEU cc_start: 0.7126 (mt) cc_final: 0.6715 (mm) REVERT: J 69 GLU cc_start: 0.7225 (mm-30) cc_final: 0.6945 (mm-30) REVERT: J 73 MET cc_start: 0.8531 (mmt) cc_final: 0.7665 (mmt) REVERT: J 106 TYR cc_start: 0.8023 (m-80) cc_final: 0.7290 (m-10) REVERT: J 112 LEU cc_start: 0.7369 (tp) cc_final: 0.7047 (tt) REVERT: J 122 LYS cc_start: 0.8153 (ptmm) cc_final: 0.7876 (ptpt) REVERT: J 131 GLN cc_start: 0.6925 (tp-100) cc_final: 0.6692 (tp-100) REVERT: J 147 MET cc_start: 0.6312 (tmm) cc_final: 0.5856 (tmm) REVERT: J 157 GLU cc_start: 0.8339 (pt0) cc_final: 0.8043 (pt0) REVERT: J 205 GLU cc_start: 0.7221 (pt0) cc_final: 0.6960 (pt0) REVERT: J 208 TYR cc_start: 0.7383 (m-80) cc_final: 0.7149 (m-80) REVERT: J 233 MET cc_start: 0.8146 (mtp) cc_final: 0.7843 (mtp) REVERT: J 256 ASN cc_start: 0.8416 (m-40) cc_final: 0.8044 (m-40) REVERT: J 257 MET cc_start: 0.6735 (mmm) cc_final: 0.6288 (mmm) REVERT: J 265 PHE cc_start: 0.8068 (m-80) cc_final: 0.7442 (m-80) REVERT: J 266 PHE cc_start: 0.7173 (m-10) cc_final: 0.6955 (m-10) REVERT: J 270 PHE cc_start: 0.6868 (t80) cc_final: 0.6520 (t80) REVERT: J 273 LEU cc_start: 0.8014 (mt) cc_final: 0.7495 (mt) REVERT: J 276 ARG cc_start: 0.6463 (tpm170) cc_final: 0.5891 (tpm170) REVERT: J 280 GLN cc_start: 0.7641 (mt0) cc_final: 0.7422 (mp10) REVERT: J 290 THR cc_start: 0.8459 (m) cc_final: 0.8171 (p) REVERT: J 292 GLN cc_start: 0.7067 (tt0) cc_final: 0.6222 (tm-30) REVERT: J 294 PHE cc_start: 0.7591 (m-80) cc_final: 0.7258 (m-80) REVERT: J 296 SER cc_start: 0.7662 (m) cc_final: 0.7366 (t) REVERT: J 313 VAL cc_start: 0.7721 (m) cc_final: 0.7484 (t) REVERT: J 326 VAL cc_start: 0.8903 (t) cc_final: 0.8679 (p) REVERT: J 330 MET cc_start: 0.7660 (ppp) cc_final: 0.7341 (ppp) REVERT: J 351 THR cc_start: 0.8061 (OUTLIER) cc_final: 0.7810 (t) REVERT: J 353 VAL cc_start: 0.8281 (p) cc_final: 0.7983 (p) REVERT: J 368 ILE cc_start: 0.6979 (mm) cc_final: 0.6656 (mm) REVERT: J 379 LYS cc_start: 0.8670 (ptpp) cc_final: 0.7072 (pttp) REVERT: J 407 GLU cc_start: 0.7657 (mt-10) cc_final: 0.7391 (mt-10) REVERT: S 56 THR cc_start: 0.5937 (m) cc_final: 0.5648 (p) REVERT: S 59 GLU cc_start: 0.7069 (tt0) cc_final: 0.6850 (tt0) REVERT: S 171 ARG cc_start: 0.5810 (mtt180) cc_final: 0.5602 (mtt180) REVERT: S 211 ASN cc_start: 0.6508 (t0) cc_final: 0.6106 (t0) REVERT: S 228 TYR cc_start: 0.6602 (m-80) cc_final: 0.6286 (m-80) REVERT: S 256 LYS cc_start: 0.7966 (mmmt) cc_final: 0.7482 (mmmt) REVERT: B 3 GLU cc_start: 0.5235 (mp0) cc_final: 0.4968 (mp0) REVERT: B 11 GLN cc_start: 0.6680 (tp-100) cc_final: 0.6206 (tp-100) REVERT: B 14 VAL cc_start: 0.8327 (p) cc_final: 0.8016 (m) REVERT: B 15 GLN cc_start: 0.7771 (tt0) cc_final: 0.7276 (mm110) REVERT: B 21 TRP cc_start: 0.8177 (m100) cc_final: 0.7758 (m100) REVERT: B 23 LEU cc_start: 0.8207 (tt) cc_final: 0.7805 (tt) REVERT: B 55 PHE cc_start: 0.6180 (p90) cc_final: 0.5919 (p90) REVERT: B 57 THR cc_start: 0.7769 (t) cc_final: 0.7349 (m) REVERT: B 76 LEU cc_start: 0.6339 (mt) cc_final: 0.5898 (tp) REVERT: B 96 GLU cc_start: 0.7367 (tt0) cc_final: 0.7151 (tt0) REVERT: B 114 TYR cc_start: 0.7929 (m-80) cc_final: 0.7434 (m-80) REVERT: B 142 LEU cc_start: 0.6900 (pt) cc_final: 0.6519 (pp) REVERT: B 145 HIS cc_start: 0.7657 (p-80) cc_final: 0.7361 (p-80) REVERT: B 160 MET cc_start: 0.7809 (mmp) cc_final: 0.7583 (mmm) REVERT: B 163 LEU cc_start: 0.8462 (mm) cc_final: 0.7708 (tt) REVERT: B 169 LYS cc_start: 0.7673 (ptmm) cc_final: 0.7335 (ptmm) REVERT: B 174 GLU cc_start: 0.6910 (OUTLIER) cc_final: 0.6541 (mp0) REVERT: B 188 VAL cc_start: 0.8418 (OUTLIER) cc_final: 0.7708 (t) REVERT: B 193 SER cc_start: 0.8313 (m) cc_final: 0.8097 (p) REVERT: B 220 ARG cc_start: 0.6964 (tmm-80) cc_final: 0.6279 (tmm-80) REVERT: B 227 ARG cc_start: 0.7069 (mtm-85) cc_final: 0.6684 (mtm-85) REVERT: B 235 ARG cc_start: 0.7396 (mtt-85) cc_final: 0.6597 (ttm110) REVERT: B 319 MET cc_start: 0.6386 (mmm) cc_final: 0.5983 (mmm) REVERT: B 326 ARG cc_start: 0.7314 (mtp180) cc_final: 0.6998 (ptm160) REVERT: B 341 ILE cc_start: 0.8914 (mm) cc_final: 0.8650 (mm) REVERT: B 342 LYS cc_start: 0.7907 (mtpp) cc_final: 0.7648 (mttt) REVERT: B 344 LYS cc_start: 0.8247 (ttpt) cc_final: 0.7714 (ttpt) REVERT: B 364 GLN cc_start: 0.6327 (tm-30) cc_final: 0.6113 (tm-30) REVERT: B 383 MET cc_start: 0.7525 (tpt) cc_final: 0.6835 (tpt) REVERT: B 401 PHE cc_start: 0.6985 (t80) cc_final: 0.6234 (t80) REVERT: B 410 PHE cc_start: 0.8285 (m-80) cc_final: 0.7569 (m-80) REVERT: B 414 TYR cc_start: 0.8543 (m-80) cc_final: 0.8258 (m-10) REVERT: B 426 GLU cc_start: 0.6939 (tp30) cc_final: 0.6577 (tp30) REVERT: K 4 ILE cc_start: 0.7864 (mp) cc_final: 0.7399 (mp) REVERT: K 22 GLU cc_start: 0.8655 (mt-10) cc_final: 0.7966 (mt-10) REVERT: K 47 ILE cc_start: 0.7593 (tt) cc_final: 0.7166 (tt) REVERT: K 50 TYR cc_start: 0.6279 (m-10) cc_final: 0.5785 (m-10) REVERT: K 59 TYR cc_start: 0.6661 (m-80) cc_final: 0.6392 (m-80) REVERT: K 73 MET cc_start: 0.8502 (mmt) cc_final: 0.7996 (mmp) REVERT: K 74 ASP cc_start: 0.7872 (m-30) cc_final: 0.7636 (m-30) REVERT: K 123 GLU cc_start: 0.7831 (mm-30) cc_final: 0.7160 (tp30) REVERT: K 128 ASP cc_start: 0.7258 (t0) cc_final: 0.6733 (t0) REVERT: K 131 GLN cc_start: 0.6756 (tp-100) cc_final: 0.6119 (tp-100) REVERT: K 162 ARG cc_start: 0.5966 (mmp-170) cc_final: 0.5471 (mmp-170) REVERT: K 170 MET cc_start: 0.7850 (ptm) cc_final: 0.7620 (ttm) REVERT: K 172 SER cc_start: 0.3398 (OUTLIER) cc_final: 0.2046 (p) REVERT: K 224 ASP cc_start: 0.7908 (m-30) cc_final: 0.7684 (m-30) REVERT: K 240 LEU cc_start: 0.7873 (pt) cc_final: 0.7192 (mt) REVERT: K 264 HIS cc_start: 0.6411 (p-80) cc_final: 0.5998 (p90) REVERT: K 273 LEU cc_start: 0.7607 (mt) cc_final: 0.7384 (mt) REVERT: K 294 PHE cc_start: 0.7847 (m-80) cc_final: 0.7610 (m-80) REVERT: K 312 THR cc_start: 0.6322 (OUTLIER) cc_final: 0.4847 (t) REVERT: K 324 LYS cc_start: 0.7973 (ttpt) cc_final: 0.7692 (ttpp) REVERT: K 325 GLU cc_start: 0.8048 (mt-10) cc_final: 0.7510 (mt-10) REVERT: K 326 VAL cc_start: 0.9066 (t) cc_final: 0.8712 (p) REVERT: K 327 ASP cc_start: 0.7453 (m-30) cc_final: 0.6628 (m-30) REVERT: K 330 MET cc_start: 0.6806 (ppp) cc_final: 0.6462 (ppp) REVERT: K 331 LEU cc_start: 0.7130 (tp) cc_final: 0.6814 (tp) REVERT: K 337 ASN cc_start: 0.5840 (m-40) cc_final: 0.5498 (m-40) REVERT: K 340 TYR cc_start: 0.7654 (m-80) cc_final: 0.6929 (m-80) REVERT: K 363 MET cc_start: 0.6750 (mtm) cc_final: 0.6507 (mtm) REVERT: K 367 PHE cc_start: 0.6944 (t80) cc_final: 0.6710 (t80) REVERT: K 368 ILE cc_start: 0.6468 (mm) cc_final: 0.6112 (mm) REVERT: K 375 GLN cc_start: 0.8117 (pt0) cc_final: 0.7908 (pt0) REVERT: K 383 GLU cc_start: 0.7481 (OUTLIER) cc_final: 0.7124 (pp20) REVERT: K 386 THR cc_start: 0.8869 (m) cc_final: 0.8649 (p) REVERT: K 408 PHE cc_start: 0.8021 (m-80) cc_final: 0.7416 (m-80) REVERT: K 415 MET cc_start: 0.7876 (tpt) cc_final: 0.6696 (tpt) REVERT: T 22 GLU cc_start: 0.6337 (mt-10) cc_final: 0.5555 (mt-10) REVERT: T 30 ILE cc_start: 0.4036 (OUTLIER) cc_final: 0.3814 (mp) REVERT: T 48 PHE cc_start: 0.5120 (m-80) cc_final: 0.4815 (m-80) REVERT: T 92 THR cc_start: 0.7284 (m) cc_final: 0.6557 (p) REVERT: T 105 MET cc_start: 0.5157 (ptt) cc_final: 0.4539 (ppp) REVERT: T 125 ASN cc_start: 0.7726 (p0) cc_final: 0.7342 (t0) REVERT: T 163 PRO cc_start: 0.6271 (Cg_endo) cc_final: 0.5852 (Cg_exo) REVERT: T 309 GLU cc_start: 0.7455 (mt-10) cc_final: 0.7097 (mm-30) REVERT: C 23 LEU cc_start: 0.8326 (tt) cc_final: 0.7729 (tt) REVERT: C 24 TYR cc_start: 0.8163 (m-80) cc_final: 0.7932 (m-80) REVERT: C 83 GLU cc_start: 0.6925 (OUTLIER) cc_final: 0.6690 (pm20) REVERT: C 91 GLN cc_start: 0.6306 (mp10) cc_final: 0.6094 (mp10) REVERT: C 96 GLU cc_start: 0.7498 (tt0) cc_final: 0.7226 (tt0) REVERT: C 108 ASN cc_start: 0.5732 (t0) cc_final: 0.5496 (t0) REVERT: C 115 THR cc_start: 0.6616 (OUTLIER) cc_final: 0.6398 (p) REVERT: C 116 ILE cc_start: 0.7547 (mm) cc_final: 0.7328 (mm) REVERT: C 169 LYS cc_start: 0.7718 (ptmm) cc_final: 0.7270 (ptmm) REVERT: C 174 GLU cc_start: 0.7140 (OUTLIER) cc_final: 0.6480 (mp0) REVERT: C 192 ASN cc_start: 0.7996 (m-40) cc_final: 0.7201 (m-40) REVERT: C 197 THR cc_start: 0.7740 (p) cc_final: 0.7535 (t) REVERT: C 222 ASN cc_start: 0.6932 (m-40) cc_final: 0.6727 (m110) REVERT: C 235 ARG cc_start: 0.7186 (mtt-85) cc_final: 0.6630 (ttm-80) REVERT: C 290 GLU cc_start: 0.7555 (tp30) cc_final: 0.7131 (tp30) REVERT: C 304 PRO cc_start: 0.7392 (Cg_endo) cc_final: 0.7148 (Cg_exo) REVERT: C 319 MET cc_start: 0.6112 (mmm) cc_final: 0.5282 (mmm) REVERT: C 341 ILE cc_start: 0.8917 (mm) cc_final: 0.8669 (mm) REVERT: C 344 LYS cc_start: 0.8401 (ttpt) cc_final: 0.7880 (ttpt) REVERT: C 351 ASP cc_start: 0.6407 (p0) cc_final: 0.5065 (p0) REVERT: C 376 LYS cc_start: 0.7464 (tmtt) cc_final: 0.7165 (tmtt) REVERT: C 383 MET cc_start: 0.7474 (tpt) cc_final: 0.7064 (tpt) REVERT: C 386 ASN cc_start: 0.6267 (t0) cc_final: 0.5758 (t0) REVERT: C 400 LYS cc_start: 0.6233 (ptpt) cc_final: 0.5956 (pttt) REVERT: C 407 LYS cc_start: 0.7685 (mmmt) cc_final: 0.7459 (mmmt) REVERT: C 410 PHE cc_start: 0.8199 (m-80) cc_final: 0.7739 (m-10) REVERT: C 426 GLU cc_start: 0.7110 (tp30) cc_final: 0.6621 (tp30) REVERT: C 430 ASP cc_start: 0.7433 (t0) cc_final: 0.7227 (t0) REVERT: L 15 GLN cc_start: 0.8505 (mm110) cc_final: 0.8270 (mm-40) REVERT: L 20 PHE cc_start: 0.8404 (t80) cc_final: 0.8065 (t80) REVERT: L 22 GLU cc_start: 0.8770 (mt-10) cc_final: 0.8428 (mt-10) REVERT: L 58 LYS cc_start: 0.7787 (tttt) cc_final: 0.7444 (tttt) REVERT: L 59 TYR cc_start: 0.6422 (m-80) cc_final: 0.5939 (m-80) REVERT: L 74 ASP cc_start: 0.7854 (m-30) cc_final: 0.7647 (m-30) REVERT: L 83 GLN cc_start: 0.6895 (mm-40) cc_final: 0.6529 (mm-40) REVERT: L 122 LYS cc_start: 0.7711 (ptmm) cc_final: 0.7504 (ptmm) REVERT: L 123 GLU cc_start: 0.7860 (mm-30) cc_final: 0.6914 (tp30) REVERT: L 147 MET cc_start: 0.6205 (tmm) cc_final: 0.5443 (tmm) REVERT: L 172 SER cc_start: 0.3970 (OUTLIER) cc_final: 0.3438 (p) REVERT: L 184 ASN cc_start: 0.7932 (m-40) cc_final: 0.7474 (m-40) REVERT: L 194 GLU cc_start: 0.7352 (pt0) cc_final: 0.7062 (pt0) REVERT: L 232 THR cc_start: 0.8374 (p) cc_final: 0.7909 (t) REVERT: L 233 MET cc_start: 0.7895 (mtp) cc_final: 0.7693 (mtt) REVERT: L 240 LEU cc_start: 0.7717 (pt) cc_final: 0.7134 (mp) REVERT: L 265 PHE cc_start: 0.8142 (m-80) cc_final: 0.7246 (m-80) REVERT: L 266 PHE cc_start: 0.7347 (m-10) cc_final: 0.6957 (m-10) REVERT: L 276 ARG cc_start: 0.6617 (tpm170) cc_final: 0.6090 (tpm170) REVERT: L 290 THR cc_start: 0.8375 (m) cc_final: 0.8044 (p) REVERT: L 293 MET cc_start: 0.6615 (OUTLIER) cc_final: 0.6410 (mmm) REVERT: L 297 LYS cc_start: 0.7901 (ttmt) cc_final: 0.7512 (ttmm) REVERT: L 312 THR cc_start: 0.5995 (OUTLIER) cc_final: 0.5116 (t) REVERT: L 317 PHE cc_start: 0.7851 (m-80) cc_final: 0.7619 (m-10) REVERT: L 323 MET cc_start: 0.8125 (mmp) cc_final: 0.7377 (mmp) REVERT: L 324 LYS cc_start: 0.7934 (ttpt) cc_final: 0.7559 (ttpp) REVERT: L 325 GLU cc_start: 0.7983 (mt-10) cc_final: 0.7660 (mt-10) REVERT: L 327 ASP cc_start: 0.7597 (m-30) cc_final: 0.6543 (m-30) REVERT: L 337 ASN cc_start: 0.6130 (m-40) cc_final: 0.5669 (m-40) REVERT: L 340 TYR cc_start: 0.7697 (m-80) cc_final: 0.7072 (m-80) REVERT: L 347 ASN cc_start: 0.6887 (t0) cc_final: 0.6405 (t0) REVERT: L 349 VAL cc_start: 0.7906 (t) cc_final: 0.7702 (t) REVERT: L 362 LYS cc_start: 0.7524 (mmmt) cc_final: 0.6877 (mmmm) REVERT: L 374 ILE cc_start: 0.8027 (tp) cc_final: 0.7737 (tp) REVERT: L 375 GLN cc_start: 0.8093 (pt0) cc_final: 0.7354 (pt0) REVERT: L 376 GLU cc_start: 0.7526 (mm-30) cc_final: 0.7005 (mm-30) REVERT: L 383 GLU cc_start: 0.7671 (OUTLIER) cc_final: 0.7265 (pp20) REVERT: L 392 LYS cc_start: 0.7411 (mtmm) cc_final: 0.7199 (mtmm) REVERT: L 395 LEU cc_start: 0.7285 (mt) cc_final: 0.6875 (mt) REVERT: L 408 PHE cc_start: 0.8001 (m-80) cc_final: 0.7424 (m-80) REVERT: L 410 GLU cc_start: 0.8403 (mt-10) cc_final: 0.7707 (mt-10) REVERT: L 414 ASN cc_start: 0.8300 (m-40) cc_final: 0.7955 (m110) REVERT: L 421 GLU cc_start: 0.7798 (tt0) cc_final: 0.7141 (tt0) REVERT: U 44 LYS cc_start: 0.6422 (pttm) cc_final: 0.5908 (pttm) REVERT: U 46 TYR cc_start: 0.6228 (m-80) cc_final: 0.5799 (m-80) REVERT: U 197 MET cc_start: 0.6486 (tpt) cc_final: 0.5964 (tpt) REVERT: U 250 GLU cc_start: 0.6476 (mm-30) cc_final: 0.6195 (mm-30) REVERT: U 313 LYS cc_start: 0.7886 (mtmt) cc_final: 0.7572 (mtmt) REVERT: D 3 GLU cc_start: 0.5651 (mp0) cc_final: 0.5398 (mp0) REVERT: D 6 SER cc_start: 0.6636 (p) cc_final: 0.6363 (p) REVERT: D 22 GLU cc_start: 0.8035 (pt0) cc_final: 0.7531 (pt0) REVERT: D 93 PHE cc_start: 0.6428 (m-80) cc_final: 0.6161 (m-80) REVERT: D 96 GLU cc_start: 0.7703 (tt0) cc_final: 0.7240 (tt0) REVERT: D 118 LYS cc_start: 0.8243 (mmtt) cc_final: 0.7569 (mmtt) REVERT: D 129 ARG cc_start: 0.6520 (tpm170) cc_final: 0.6077 (tpm170) REVERT: D 138 LEU cc_start: 0.7048 (tp) cc_final: 0.6612 (tp) REVERT: D 158 LEU cc_start: 0.8435 (tp) cc_final: 0.8098 (tp) REVERT: D 159 LEU cc_start: 0.8612 (tt) cc_final: 0.8408 (tt) REVERT: D 172 LYS cc_start: 0.6979 (mtmm) cc_final: 0.6450 (mtmm) REVERT: D 192 ASN cc_start: 0.7880 (m-40) cc_final: 0.7108 (m-40) REVERT: D 194 ILE cc_start: 0.7974 (tt) cc_final: 0.7762 (tp) REVERT: D 229 THR cc_start: 0.5667 (OUTLIER) cc_final: 0.4608 (p) REVERT: D 232 ASN cc_start: 0.8430 (m-40) cc_final: 0.7959 (p0) REVERT: D 239 GLN cc_start: 0.7476 (mm110) cc_final: 0.7270 (mm110) REVERT: D 272 HIS cc_start: 0.5861 (p90) cc_final: 0.5213 (p90) REVERT: D 296 GLU cc_start: 0.7296 (pm20) cc_final: 0.6771 (pm20) REVERT: D 319 MET cc_start: 0.5666 (mmm) cc_final: 0.5240 (mmm) REVERT: D 335 ASN cc_start: 0.8024 (m110) cc_final: 0.7750 (p0) REVERT: D 340 THR cc_start: 0.8478 (p) cc_final: 0.8095 (m) REVERT: D 344 LYS cc_start: 0.8419 (ttpt) cc_final: 0.7909 (ttpt) REVERT: D 358 LYS cc_start: 0.7098 (tptt) cc_final: 0.6820 (tptt) REVERT: D 376 LYS cc_start: 0.8118 (tmtt) cc_final: 0.7800 (tmtt) REVERT: D 379 ARG cc_start: 0.7801 (ptp90) cc_final: 0.7446 (ptp90) REVERT: D 390 ILE cc_start: 0.7710 (tp) cc_final: 0.7482 (mm) REVERT: D 401 PHE cc_start: 0.7222 (t80) cc_final: 0.6932 (t80) REVERT: D 407 LYS cc_start: 0.8567 (mmmt) cc_final: 0.8004 (mttt) REVERT: D 408 ARG cc_start: 0.7912 (mmt-90) cc_final: 0.7606 (mpt180) REVERT: D 410 PHE cc_start: 0.8570 (m-80) cc_final: 0.8238 (m-10) REVERT: D 434 LEU cc_start: 0.7568 (tt) cc_final: 0.6953 (tt) REVERT: M 11 GLN cc_start: 0.6113 (tt0) cc_final: 0.5657 (tm-30) REVERT: M 15 GLN cc_start: 0.8382 (mm110) cc_final: 0.8084 (mm-40) REVERT: M 21 TRP cc_start: 0.7769 (m100) cc_final: 0.6480 (m100) REVERT: M 22 GLU cc_start: 0.8365 (mt-10) cc_final: 0.7980 (mt-10) REVERT: M 73 MET cc_start: 0.8482 (mmt) cc_final: 0.7575 (mmt) REVERT: M 91 VAL cc_start: 0.7643 (p) cc_final: 0.7373 (m) REVERT: M 103 LYS cc_start: 0.6830 (mttt) cc_final: 0.6195 (mmmm) REVERT: M 123 GLU cc_start: 0.7065 (mm-30) cc_final: 0.6861 (mm-30) REVERT: M 128 ASP cc_start: 0.7608 (t0) cc_final: 0.7403 (t0) REVERT: M 147 MET cc_start: 0.5789 (tmm) cc_final: 0.5299 (tmm) REVERT: M 157 GLU cc_start: 0.8267 (pt0) cc_final: 0.7882 (pt0) REVERT: M 161 ASP cc_start: 0.7306 (p0) cc_final: 0.6891 (p0) REVERT: M 177 ASP cc_start: 0.7267 (m-30) cc_final: 0.6997 (m-30) REVERT: M 192 LEU cc_start: 0.7269 (mt) cc_final: 0.6541 (mm) REVERT: M 224 ASP cc_start: 0.7810 (m-30) cc_final: 0.7511 (m-30) REVERT: M 227 HIS cc_start: 0.7868 (t-170) cc_final: 0.7592 (m-70) REVERT: M 229 VAL cc_start: 0.8143 (m) cc_final: 0.7799 (p) REVERT: M 257 MET cc_start: 0.6976 (mmm) cc_final: 0.6605 (mmm) REVERT: M 276 ARG cc_start: 0.6123 (tpm170) cc_final: 0.5674 (tpm170) REVERT: M 286 VAL cc_start: 0.8710 (p) cc_final: 0.8509 (p) REVERT: M 290 THR cc_start: 0.8406 (m) cc_final: 0.7214 (p) REVERT: M 295 ASP cc_start: 0.7621 (t70) cc_final: 0.7233 (t0) REVERT: M 317 PHE cc_start: 0.7897 (m-80) cc_final: 0.7638 (m-10) REVERT: M 327 ASP cc_start: 0.7246 (m-30) cc_final: 0.6811 (m-30) REVERT: M 329 GLN cc_start: 0.7818 (mm110) cc_final: 0.7580 (mt0) REVERT: M 330 MET cc_start: 0.7434 (ppp) cc_final: 0.7051 (ppp) REVERT: M 337 ASN cc_start: 0.7278 (m-40) cc_final: 0.7054 (t0) REVERT: M 377 LEU cc_start: 0.7439 (tp) cc_final: 0.6289 (tp) REVERT: M 378 PHE cc_start: 0.7616 (m-10) cc_final: 0.7253 (m-10) REVERT: M 380 ARG cc_start: 0.7564 (ptp-170) cc_final: 0.6772 (ptp-170) REVERT: M 384 GLN cc_start: 0.8147 (mt0) cc_final: 0.7597 (mt0) REVERT: M 388 MET cc_start: 0.7624 (mtp) cc_final: 0.7043 (mtp) REVERT: M 392 LYS cc_start: 0.7954 (mtmm) cc_final: 0.7716 (mtmm) REVERT: M 415 MET cc_start: 0.8172 (tpt) cc_final: 0.6722 (tpt) REVERT: V 122 MET cc_start: 0.1537 (mmp) cc_final: 0.0929 (ptp) REVERT: V 197 MET cc_start: 0.6748 (tpt) cc_final: 0.5764 (tpt) REVERT: V 256 LYS cc_start: 0.7842 (mmmt) cc_final: 0.6962 (mmmt) REVERT: V 308 ASN cc_start: 0.7434 (m-40) cc_final: 0.6954 (p0) REVERT: V 309 GLU cc_start: 0.8000 (mt-10) cc_final: 0.7669 (mt-10) REVERT: V 312 THR cc_start: 0.7268 (p) cc_final: 0.7061 (p) REVERT: V 313 LYS cc_start: 0.8231 (mtmt) cc_final: 0.7790 (mtmt) REVERT: V 315 THR cc_start: 0.7950 (m) cc_final: 0.7723 (m) REVERT: V 320 GLN cc_start: 0.6696 (mt0) cc_final: 0.6284 (mm-40) REVERT: E 22 GLU cc_start: 0.7415 (pt0) cc_final: 0.7016 (pt0) REVERT: E 23 LEU cc_start: 0.8185 (tt) cc_final: 0.7955 (tt) REVERT: E 61 GLU cc_start: 0.5094 (tm-30) cc_final: 0.4492 (tm-30) REVERT: E 85 ARG cc_start: 0.7844 (mtt180) cc_final: 0.7639 (mpt180) REVERT: E 93 PHE cc_start: 0.6713 (m-80) cc_final: 0.6445 (m-80) REVERT: E 96 GLU cc_start: 0.7154 (tt0) cc_final: 0.6731 (tt0) REVERT: E 107 ASN cc_start: 0.5747 (m-40) cc_final: 0.5312 (m-40) REVERT: E 115 THR cc_start: 0.6745 (OUTLIER) cc_final: 0.6509 (p) REVERT: E 116 ILE cc_start: 0.7625 (mm) cc_final: 0.7383 (mm) REVERT: E 172 LYS cc_start: 0.7806 (mtmm) cc_final: 0.7273 (ptmt) REVERT: E 174 GLU cc_start: 0.7429 (OUTLIER) cc_final: 0.6591 (mp0) REVERT: E 188 VAL cc_start: 0.8154 (OUTLIER) cc_final: 0.7117 (t) REVERT: E 210 VAL cc_start: 0.6200 (t) cc_final: 0.5999 (t) REVERT: E 212 ASN cc_start: 0.6976 (p0) cc_final: 0.6705 (p0) REVERT: E 225 ILE cc_start: 0.6672 (mm) cc_final: 0.6133 (tp) REVERT: E 229 THR cc_start: 0.5691 (OUTLIER) cc_final: 0.4356 (t) REVERT: E 231 THR cc_start: 0.8366 (m) cc_final: 0.8049 (m) REVERT: E 232 ASN cc_start: 0.8394 (m-40) cc_final: 0.7880 (p0) REVERT: E 233 LEU cc_start: 0.8601 (mp) cc_final: 0.8224 (mp) REVERT: E 239 GLN cc_start: 0.7792 (mm110) cc_final: 0.6987 (mm110) REVERT: E 254 LEU cc_start: 0.7979 (tt) cc_final: 0.7737 (tt) REVERT: E 263 THR cc_start: 0.7880 (p) cc_final: 0.7235 (m) REVERT: E 286 LYS cc_start: 0.8296 (mttp) cc_final: 0.8044 (mtpt) REVERT: E 319 MET cc_start: 0.5459 (mmm) cc_final: 0.4650 (mmm) REVERT: E 329 VAL cc_start: 0.7850 (t) cc_final: 0.7562 (p) REVERT: E 342 LYS cc_start: 0.8698 (mtpp) cc_final: 0.8417 (mtmt) REVERT: E 358 LYS cc_start: 0.7412 (tptt) cc_final: 0.6958 (mmtt) REVERT: E 383 MET cc_start: 0.6396 (tpt) cc_final: 0.6150 (tpt) REVERT: E 386 ASN cc_start: 0.6568 (t0) cc_final: 0.5856 (t0) REVERT: E 394 TRP cc_start: 0.6134 (m100) cc_final: 0.5902 (m100) REVERT: E 426 GLU cc_start: 0.7988 (tp30) cc_final: 0.7045 (tp30) REVERT: E 429 GLU cc_start: 0.6975 (pp20) cc_final: 0.6521 (pp20) REVERT: E 431 MET cc_start: 0.7902 (tpp) cc_final: 0.7309 (ptt) REVERT: N 20 PHE cc_start: 0.8404 (t80) cc_final: 0.8097 (t80) REVERT: N 22 GLU cc_start: 0.8554 (mt-10) cc_final: 0.7917 (mt-10) REVERT: N 52 ASN cc_start: 0.6262 (m110) cc_final: 0.5990 (m-40) REVERT: N 58 LYS cc_start: 0.7538 (tttt) cc_final: 0.7059 (tttt) REVERT: N 83 GLN cc_start: 0.7568 (mm-40) cc_final: 0.6639 (mm-40) REVERT: N 92 PHE cc_start: 0.7961 (p90) cc_final: 0.7676 (p90) REVERT: N 94 GLN cc_start: 0.7287 (tm-30) cc_final: 0.6994 (tm-30) REVERT: N 106 TYR cc_start: 0.7951 (m-80) cc_final: 0.7512 (m-10) REVERT: N 113 VAL cc_start: 0.8394 (p) cc_final: 0.8077 (t) REVERT: N 122 LYS cc_start: 0.8354 (ptmm) cc_final: 0.8095 (ptmm) REVERT: N 123 GLU cc_start: 0.7836 (mm-30) cc_final: 0.7458 (tp30) REVERT: N 131 GLN cc_start: 0.6769 (tp-100) cc_final: 0.6388 (tp-100) REVERT: N 147 MET cc_start: 0.6093 (tmm) cc_final: 0.5863 (tmm) REVERT: N 150 LEU cc_start: 0.8126 (tt) cc_final: 0.7896 (tp) REVERT: N 158 GLU cc_start: 0.8536 (tt0) cc_final: 0.8136 (tm-30) REVERT: N 180 VAL cc_start: 0.7852 (OUTLIER) cc_final: 0.7315 (t) REVERT: N 181 GLU cc_start: 0.7585 (pt0) cc_final: 0.7253 (pt0) REVERT: N 192 LEU cc_start: 0.8138 (mt) cc_final: 0.7548 (mt) REVERT: N 195 ASN cc_start: 0.6546 (m-40) cc_final: 0.6118 (m-40) REVERT: N 197 ASP cc_start: 0.6355 (m-30) cc_final: 0.6049 (m-30) REVERT: N 233 MET cc_start: 0.8349 (mtp) cc_final: 0.8031 (mtt) REVERT: N 256 ASN cc_start: 0.8438 (m-40) cc_final: 0.8000 (m110) REVERT: N 257 MET cc_start: 0.6423 (mmm) cc_final: 0.5904 (mmm) REVERT: N 265 PHE cc_start: 0.8207 (m-80) cc_final: 0.7682 (m-80) REVERT: N 276 ARG cc_start: 0.6818 (tpm170) cc_final: 0.6289 (tpm170) REVERT: N 278 SER cc_start: 0.7481 (p) cc_final: 0.7151 (p) REVERT: N 290 THR cc_start: 0.8637 (m) cc_final: 0.8363 (p) REVERT: N 296 SER cc_start: 0.8160 (m) cc_final: 0.7068 (t) REVERT: N 300 MET cc_start: 0.7136 (mtt) cc_final: 0.6603 (mpp) REVERT: N 313 VAL cc_start: 0.7680 (m) cc_final: 0.7470 (m) REVERT: N 330 MET cc_start: 0.7895 (ppp) cc_final: 0.7594 (ppp) REVERT: N 385 PHE cc_start: 0.7576 (t80) cc_final: 0.6857 (t80) REVERT: N 392 LYS cc_start: 0.7928 (mtmm) cc_final: 0.7312 (mtmm) REVERT: N 407 GLU cc_start: 0.7501 (mt-10) cc_final: 0.7108 (mt-10) REVERT: N 414 ASN cc_start: 0.8348 (m-40) cc_final: 0.8095 (m110) REVERT: N 417 ASP cc_start: 0.6964 (m-30) cc_final: 0.6418 (t0) REVERT: W 92 THR cc_start: 0.5911 (m) cc_final: 0.5706 (p) REVERT: W 95 MET cc_start: 0.6336 (mpp) cc_final: 0.5778 (mpp) REVERT: W 103 GLU cc_start: 0.6068 (tp30) cc_final: 0.5768 (tm-30) REVERT: W 228 TYR cc_start: 0.6559 (m-80) cc_final: 0.6065 (m-80) REVERT: W 249 ASP cc_start: 0.7195 (m-30) cc_final: 0.6843 (m-30) REVERT: W 256 LYS cc_start: 0.8091 (mmmt) cc_final: 0.7580 (mmmt) REVERT: W 265 ILE cc_start: 0.6675 (tt) cc_final: 0.6317 (tt) REVERT: W 309 GLU cc_start: 0.6835 (mt-10) cc_final: 0.6579 (mt-10) REVERT: W 313 LYS cc_start: 0.8607 (mtmt) cc_final: 0.8243 (mtmt) REVERT: F 3 GLU cc_start: 0.5528 (mp0) cc_final: 0.5164 (mp0) REVERT: F 11 GLN cc_start: 0.6441 (tp-100) cc_final: 0.5651 (tp40) REVERT: F 108 ASN cc_start: 0.5358 (t0) cc_final: 0.4886 (t0) REVERT: F 158 LEU cc_start: 0.8830 (tp) cc_final: 0.8484 (tp) REVERT: F 163 LEU cc_start: 0.8225 (mm) cc_final: 0.7825 (tp) REVERT: F 169 LYS cc_start: 0.7339 (ptmm) cc_final: 0.6904 (ptmm) REVERT: F 172 LYS cc_start: 0.7240 (mtmm) cc_final: 0.6934 (mtmm) REVERT: F 174 GLU cc_start: 0.6671 (OUTLIER) cc_final: 0.6457 (mp0) REVERT: F 190 PRO cc_start: 0.7663 (Cg_exo) cc_final: 0.7265 (Cg_endo) REVERT: F 192 ASN cc_start: 0.7775 (m-40) cc_final: 0.6818 (m-40) REVERT: F 193 SER cc_start: 0.8274 (m) cc_final: 0.8007 (p) REVERT: F 219 CYS cc_start: 0.7822 (p) cc_final: 0.7602 (p) REVERT: F 223 LEU cc_start: 0.7730 (tp) cc_final: 0.6852 (tp) REVERT: F 243 SER cc_start: 0.7690 (m) cc_final: 0.7490 (t) REVERT: F 255 ASN cc_start: 0.6972 (m110) cc_final: 0.6752 (m-40) REVERT: F 306 ASN cc_start: 0.7860 (t0) cc_final: 0.7609 (t0) REVERT: F 308 MET cc_start: 0.7521 (mmm) cc_final: 0.7235 (mmm) REVERT: F 319 MET cc_start: 0.6372 (mmm) cc_final: 0.5299 (mmm) REVERT: F 323 LEU cc_start: 0.6108 (mp) cc_final: 0.5684 (mp) REVERT: F 325 TYR cc_start: 0.7320 (m-80) cc_final: 0.7026 (m-80) REVERT: F 326 ARG cc_start: 0.7340 (mtp180) cc_final: 0.6967 (ptm160) REVERT: F 338 ILE cc_start: 0.8618 (pt) cc_final: 0.8365 (pt) REVERT: F 340 THR cc_start: 0.8707 (p) cc_final: 0.8489 (m) REVERT: F 344 LYS cc_start: 0.8336 (ttpt) cc_final: 0.8017 (ttpt) REVERT: F 364 GLN cc_start: 0.6618 (tm-30) cc_final: 0.6102 (tm-30) REVERT: F 379 ARG cc_start: 0.7712 (ptp90) cc_final: 0.7435 (ptp90) REVERT: F 382 CYS cc_start: 0.7585 (t) cc_final: 0.7321 (t) REVERT: F 383 MET cc_start: 0.7861 (tpt) cc_final: 0.6913 (tpt) REVERT: F 401 PHE cc_start: 0.6529 (t80) cc_final: 0.6018 (t80) REVERT: F 410 PHE cc_start: 0.8416 (m-80) cc_final: 0.8047 (m-80) REVERT: F 419 MET cc_start: 0.3816 (mmp) cc_final: 0.3593 (mtt) REVERT: F 423 GLU cc_start: 0.7763 (pm20) cc_final: 0.7287 (pm20) REVERT: F 430 ASP cc_start: 0.7540 (t0) cc_final: 0.7336 (t0) REVERT: O 15 GLN cc_start: 0.8468 (mm110) cc_final: 0.8188 (mm-40) REVERT: O 20 PHE cc_start: 0.8430 (t80) cc_final: 0.8100 (t80) REVERT: O 21 TRP cc_start: 0.7983 (m100) cc_final: 0.6022 (m100) REVERT: O 22 GLU cc_start: 0.8590 (mt-10) cc_final: 0.7684 (mt-10) REVERT: O 24 ILE cc_start: 0.8481 (pt) cc_final: 0.8187 (pt) REVERT: O 40 SER cc_start: 0.7490 (t) cc_final: 0.6868 (p) REVERT: O 66 VAL cc_start: 0.7691 (m) cc_final: 0.7098 (p) REVERT: O 72 THR cc_start: 0.8202 (m) cc_final: 0.7950 (t) REVERT: O 73 MET cc_start: 0.8618 (mmt) cc_final: 0.8067 (mmp) REVERT: O 74 ASP cc_start: 0.7789 (m-30) cc_final: 0.7545 (m-30) REVERT: O 103 LYS cc_start: 0.6550 (mttt) cc_final: 0.5814 (ttmm) REVERT: O 131 GLN cc_start: 0.6162 (tp-100) cc_final: 0.5787 (tp-100) REVERT: O 147 MET cc_start: 0.6720 (tmm) cc_final: 0.6399 (tmm) REVERT: O 149 THR cc_start: 0.7972 (p) cc_final: 0.7543 (t) REVERT: O 172 SER cc_start: 0.3871 (OUTLIER) cc_final: 0.2222 (p) REVERT: O 183 TYR cc_start: 0.5474 (m-10) cc_final: 0.4996 (m-10) REVERT: O 184 ASN cc_start: 0.7711 (m-40) cc_final: 0.7072 (m-40) REVERT: O 187 LEU cc_start: 0.8564 (mt) cc_final: 0.8188 (mt) REVERT: O 194 GLU cc_start: 0.7231 (pt0) cc_final: 0.7030 (mt-10) REVERT: O 232 THR cc_start: 0.7826 (p) cc_final: 0.7512 (t) REVERT: O 257 MET cc_start: 0.7122 (mmm) cc_final: 0.6881 (mmp) REVERT: O 265 PHE cc_start: 0.7876 (m-80) cc_final: 0.7213 (m-80) REVERT: O 276 ARG cc_start: 0.6300 (tpm170) cc_final: 0.5570 (tpm170) REVERT: O 285 THR cc_start: 0.8026 (t) cc_final: 0.7787 (m) REVERT: O 290 THR cc_start: 0.8522 (m) cc_final: 0.8094 (p) REVERT: O 300 MET cc_start: 0.6485 (mtt) cc_final: 0.5983 (mtm) REVERT: O 312 THR cc_start: 0.6494 (OUTLIER) cc_final: 0.5106 (t) REVERT: O 321 MET cc_start: 0.5911 (ptp) cc_final: 0.5397 (ppp) REVERT: O 324 LYS cc_start: 0.7851 (ttpt) cc_final: 0.7475 (ttpt) REVERT: O 325 GLU cc_start: 0.7813 (mt-10) cc_final: 0.7413 (mt-10) REVERT: O 326 VAL cc_start: 0.9135 (t) cc_final: 0.8901 (t) REVERT: O 327 ASP cc_start: 0.7453 (m-30) cc_final: 0.6332 (m-30) REVERT: O 349 VAL cc_start: 0.7725 (t) cc_final: 0.7379 (p) REVERT: O 353 VAL cc_start: 0.7974 (p) cc_final: 0.7667 (p) REVERT: O 383 GLU cc_start: 0.6886 (OUTLIER) cc_final: 0.6661 (pp20) REVERT: O 408 PHE cc_start: 0.7572 (m-80) cc_final: 0.7044 (m-80) REVERT: O 410 GLU cc_start: 0.8002 (mt-10) cc_final: 0.7188 (pp20) REVERT: O 414 ASN cc_start: 0.8296 (m-40) cc_final: 0.7306 (m-40) REVERT: O 415 MET cc_start: 0.7644 (tpt) cc_final: 0.6683 (tpt) REVERT: O 416 ASN cc_start: 0.7621 (m-40) cc_final: 0.7407 (m110) REVERT: O 421 GLU cc_start: 0.7407 (tt0) cc_final: 0.7139 (tt0) REVERT: X 105 MET cc_start: 0.5398 (ptt) cc_final: 0.5055 (ppp) REVERT: X 180 MET cc_start: 0.6189 (mmt) cc_final: 0.5973 (mmt) REVERT: X 197 MET cc_start: 0.5927 (tpt) cc_final: 0.5094 (tpt) REVERT: X 309 GLU cc_start: 0.7180 (mt-10) cc_final: 0.6803 (mm-30) REVERT: X 313 LYS cc_start: 0.7338 (mtmt) cc_final: 0.7129 (mtmt) REVERT: G 3 GLU cc_start: 0.4416 (mp0) cc_final: 0.4080 (mp0) REVERT: G 23 LEU cc_start: 0.7815 (tt) cc_final: 0.7548 (tp) REVERT: G 89 TYR cc_start: 0.5559 (m-80) cc_final: 0.5173 (m-80) REVERT: G 115 THR cc_start: 0.7394 (OUTLIER) cc_final: 0.7142 (p) REVERT: G 192 ASN cc_start: 0.7591 (m-40) cc_final: 0.6628 (m-40) REVERT: G 229 THR cc_start: 0.6138 (OUTLIER) cc_final: 0.5335 (p) REVERT: G 240 ILE cc_start: 0.7569 (mt) cc_final: 0.7317 (mt) REVERT: G 265 LEU cc_start: 0.7463 (mp) cc_final: 0.7254 (mt) REVERT: G 286 LYS cc_start: 0.7856 (mttp) cc_final: 0.6970 (mtmt) REVERT: G 290 GLU cc_start: 0.7814 (tp30) cc_final: 0.7441 (mt-10) REVERT: G 308 MET cc_start: 0.7860 (mmm) cc_final: 0.7541 (mmm) REVERT: G 319 MET cc_start: 0.5331 (mmm) cc_final: 0.5060 (mmm) REVERT: G 325 TYR cc_start: 0.7507 (m-80) cc_final: 0.7165 (m-80) REVERT: G 326 ARG cc_start: 0.6860 (mtp180) cc_final: 0.6278 (mmm-85) REVERT: G 329 VAL cc_start: 0.8228 (t) cc_final: 0.7790 (p) REVERT: G 334 VAL cc_start: 0.8319 (m) cc_final: 0.7675 (t) REVERT: G 338 ILE cc_start: 0.8580 (pt) cc_final: 0.8208 (pt) REVERT: G 344 LYS cc_start: 0.8557 (ttpt) cc_final: 0.8100 (ttpt) REVERT: G 361 ILE cc_start: 0.7112 (mp) cc_final: 0.6853 (mp) REVERT: G 362 ASN cc_start: 0.7054 (t0) cc_final: 0.6333 (t0) REVERT: G 364 GLN cc_start: 0.5764 (tm-30) cc_final: 0.5515 (tm-30) REVERT: G 379 ARG cc_start: 0.8080 (ptp90) cc_final: 0.7578 (ptt-90) REVERT: G 383 MET cc_start: 0.7175 (tpt) cc_final: 0.6682 (tpt) REVERT: G 397 LEU cc_start: 0.8227 (tt) cc_final: 0.7971 (mt) REVERT: G 407 LYS cc_start: 0.8277 (mmmt) cc_final: 0.7492 (mmmt) REVERT: G 408 ARG cc_start: 0.7644 (mmt-90) cc_final: 0.7140 (mpt180) REVERT: G 410 PHE cc_start: 0.8634 (m-80) cc_final: 0.8291 (m-80) REVERT: G 423 GLU cc_start: 0.7338 (pm20) cc_final: 0.6431 (pm20) REVERT: P 1 MET cc_start: 0.6400 (mmm) cc_final: 0.5998 (mmm) REVERT: P 2 ARG cc_start: 0.7815 (mtm180) cc_final: 0.7467 (mtm180) REVERT: P 3 GLU cc_start: 0.6135 (mp0) cc_final: 0.5490 (mp0) REVERT: P 15 GLN cc_start: 0.8401 (mm110) cc_final: 0.8077 (mm-40) REVERT: P 20 PHE cc_start: 0.8207 (t80) cc_final: 0.7995 (t80) REVERT: P 22 GLU cc_start: 0.7904 (mt-10) cc_final: 0.7143 (mt-10) REVERT: P 58 LYS cc_start: 0.7421 (tttt) cc_final: 0.6959 (tttt) REVERT: P 73 MET cc_start: 0.8406 (mmt) cc_final: 0.8128 (mmm) REVERT: P 103 LYS cc_start: 0.6906 (mttt) cc_final: 0.6325 (mtpp) REVERT: P 123 GLU cc_start: 0.6960 (mm-30) cc_final: 0.6678 (tp30) REVERT: P 147 MET cc_start: 0.5768 (tmm) cc_final: 0.5490 (tmm) REVERT: P 159 TYR cc_start: 0.8093 (m-80) cc_final: 0.7563 (m-80) REVERT: P 172 SER cc_start: 0.4138 (OUTLIER) cc_final: 0.3832 (p) REVERT: P 181 GLU cc_start: 0.7159 (pt0) cc_final: 0.6530 (pt0) REVERT: P 195 ASN cc_start: 0.6860 (m-40) cc_final: 0.6589 (m-40) REVERT: P 200 TYR cc_start: 0.7137 (m-80) cc_final: 0.6892 (m-80) REVERT: P 204 ASN cc_start: 0.8295 (m-40) cc_final: 0.8034 (m-40) REVERT: P 228 LEU cc_start: 0.8216 (mm) cc_final: 0.7493 (tp) REVERT: P 233 MET cc_start: 0.8188 (mtp) cc_final: 0.7495 (mtt) REVERT: P 257 MET cc_start: 0.6459 (mmm) cc_final: 0.5901 (mmm) REVERT: P 264 HIS cc_start: 0.6514 (p-80) cc_final: 0.6227 (p-80) REVERT: P 273 LEU cc_start: 0.7302 (mt) cc_final: 0.7018 (mt) REVERT: P 276 ARG cc_start: 0.6318 (tpm170) cc_final: 0.6057 (tpm170) REVERT: P 296 SER cc_start: 0.7937 (m) cc_final: 0.6977 (p) REVERT: P 297 LYS cc_start: 0.8149 (ttmt) cc_final: 0.7936 (ttmt) REVERT: P 300 MET cc_start: 0.6794 (mtt) cc_final: 0.6500 (mtp) REVERT: P 312 THR cc_start: 0.6891 (OUTLIER) cc_final: 0.5946 (p) REVERT: P 318 ARG cc_start: 0.7013 (mtp180) cc_final: 0.5875 (ttm110) REVERT: P 362 LYS cc_start: 0.7311 (mmmt) cc_final: 0.7085 (mmmm) REVERT: P 384 GLN cc_start: 0.8014 (mt0) cc_final: 0.7729 (mt0) REVERT: P 388 MET cc_start: 0.7544 (mtp) cc_final: 0.6746 (mmt) REVERT: Z 59 GLU cc_start: 0.8237 (tt0) cc_final: 0.7953 (tp30) REVERT: Z 105 MET cc_start: 0.4250 (ptt) cc_final: 0.3873 (ppp) REVERT: Z 107 ILE cc_start: 0.5887 (mt) cc_final: 0.5670 (mt) REVERT: Z 313 LYS cc_start: 0.8420 (mtmt) cc_final: 0.8090 (mtmt) REVERT: Z 315 THR cc_start: 0.7355 (m) cc_final: 0.6604 (m) REVERT: Z 320 GLN cc_start: 0.6468 (mt0) cc_final: 0.6086 (mm-40) REVERT: H 11 GLN cc_start: 0.5291 (tp-100) cc_final: 0.4988 (tp-100) REVERT: H 90 ARG cc_start: 0.6652 (mtm-85) cc_final: 0.6103 (mtm-85) REVERT: H 120 ILE cc_start: 0.8293 (tp) cc_final: 0.8052 (tp) REVERT: H 121 ILE cc_start: 0.8628 (pt) cc_final: 0.8215 (mm) REVERT: H 139 GLN cc_start: 0.7898 (mm-40) cc_final: 0.7691 (mm110) REVERT: H 172 LYS cc_start: 0.7606 (mtmm) cc_final: 0.6847 (ptmt) REVERT: H 174 GLU cc_start: 0.6506 (OUTLIER) cc_final: 0.5737 (mp0) REVERT: H 188 VAL cc_start: 0.7858 (OUTLIER) cc_final: 0.6728 (p) REVERT: H 229 THR cc_start: 0.4620 (OUTLIER) cc_final: 0.3016 (p) REVERT: H 239 GLN cc_start: 0.7735 (mm110) cc_final: 0.7452 (mm110) REVERT: H 265 LEU cc_start: 0.7509 (mp) cc_final: 0.7265 (mp) REVERT: H 290 GLU cc_start: 0.7969 (tp30) cc_final: 0.7703 (mm-30) REVERT: H 310 LYS cc_start: 0.7454 (mtpt) cc_final: 0.6868 (mtpt) REVERT: H 312 ASP cc_start: 0.6819 (t0) cc_final: 0.6486 (t70) REVERT: H 331 PRO cc_start: 0.8301 (Cg_endo) cc_final: 0.7951 (Cg_exo) REVERT: H 358 LYS cc_start: 0.7300 (tptt) cc_final: 0.6787 (mmtt) REVERT: H 383 MET cc_start: 0.6154 (tpt) cc_final: 0.5642 (tpt) REVERT: H 419 MET cc_start: 0.2824 (mmp) cc_final: 0.2527 (tpp) REVERT: R 2 ARG cc_start: 0.7694 (mtm180) cc_final: 0.6907 (mtm110) REVERT: R 15 GLN cc_start: 0.8111 (mm110) cc_final: 0.7692 (mm-40) REVERT: R 20 PHE cc_start: 0.8385 (t80) cc_final: 0.8017 (t80) REVERT: R 22 GLU cc_start: 0.8057 (mt-10) cc_final: 0.7346 (mt-10) REVERT: R 91 VAL cc_start: 0.7925 (p) cc_final: 0.7440 (t) REVERT: R 92 PHE cc_start: 0.7549 (p90) cc_final: 0.7241 (p90) REVERT: R 94 GLN cc_start: 0.7000 (tm-30) cc_final: 0.6657 (tm-30) REVERT: R 129 CYS cc_start: 0.7166 (t) cc_final: 0.6819 (t) REVERT: R 131 GLN cc_start: 0.6613 (tp-100) cc_final: 0.6313 (tp-100) REVERT: R 134 GLN cc_start: 0.6248 (tt0) cc_final: 0.5565 (tt0) REVERT: R 147 MET cc_start: 0.6165 (tmm) cc_final: 0.5804 (tmm) REVERT: R 153 SER cc_start: 0.7156 (p) cc_final: 0.6870 (t) REVERT: R 158 GLU cc_start: 0.8368 (tt0) cc_final: 0.7846 (tt0) REVERT: R 180 VAL cc_start: 0.7855 (OUTLIER) cc_final: 0.7616 (p) REVERT: R 184 ASN cc_start: 0.7490 (m-40) cc_final: 0.6944 (m-40) REVERT: R 205 GLU cc_start: 0.7730 (pt0) cc_final: 0.6810 (pt0) REVERT: R 265 PHE cc_start: 0.8076 (m-80) cc_final: 0.7801 (m-80) REVERT: R 268 PRO cc_start: 0.8151 (Cg_endo) cc_final: 0.7696 (Cg_exo) REVERT: R 276 ARG cc_start: 0.6839 (tpm170) cc_final: 0.6022 (tpm170) REVERT: R 292 GLN cc_start: 0.7455 (tt0) cc_final: 0.6592 (tm-30) REVERT: R 295 ASP cc_start: 0.7821 (t70) cc_final: 0.7616 (t70) REVERT: R 296 SER cc_start: 0.8062 (m) cc_final: 0.7685 (t) REVERT: R 298 ASN cc_start: 0.6743 (t0) cc_final: 0.5484 (t0) REVERT: R 300 MET cc_start: 0.7080 (mtt) cc_final: 0.6752 (mtt) REVERT: R 313 VAL cc_start: 0.8047 (m) cc_final: 0.7823 (t) REVERT: R 330 MET cc_start: 0.7839 (ppp) cc_final: 0.7528 (ppp) REVERT: R 353 VAL cc_start: 0.8182 (p) cc_final: 0.7758 (m) REVERT: R 379 LYS cc_start: 0.8435 (ptpp) cc_final: 0.8122 (pttp) REVERT: R 384 GLN cc_start: 0.8046 (mt0) cc_final: 0.7260 (mt0) REVERT: R 385 PHE cc_start: 0.7696 (t80) cc_final: 0.6874 (t80) REVERT: R 388 MET cc_start: 0.7231 (mtp) cc_final: 0.6634 (mtp) REVERT: R 407 GLU cc_start: 0.7724 (mt-10) cc_final: 0.7361 (mt-10) REVERT: R 415 MET cc_start: 0.7723 (tpt) cc_final: 0.7432 (tpt) REVERT: R 417 ASP cc_start: 0.6388 (m-30) cc_final: 0.6172 (t0) REVERT: R 424 GLN cc_start: 0.6321 (tt0) cc_final: 0.5982 (tt0) REVERT: a 56 THR cc_start: 0.5240 (m) cc_final: 0.4953 (p) REVERT: a 105 MET cc_start: 0.4326 (ptt) cc_final: 0.4068 (ppp) REVERT: a 256 LYS cc_start: 0.7655 (mmmt) cc_final: 0.7454 (mmmt) REVERT: a 308 ASN cc_start: 0.5516 (m-40) cc_final: 0.5203 (m110) REVERT: a 309 GLU cc_start: 0.6072 (mt-10) cc_final: 0.5672 (mt-10) outliers start: 225 outliers final: 76 residues processed: 3336 average time/residue: 0.8583 time to fit residues: 4895.2014 Evaluate side-chains 2988 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 114 poor density : 2874 time to evaluate : 6.965 ------------------------------------------------------------------------------- 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: 7.9990 chunk 791 optimal weight: 6.9990 chunk 439 optimal weight: 8.9990 chunk 270 optimal weight: 0.6980 chunk 533 optimal weight: 4.9990 chunk 422 optimal weight: 6.9990 chunk 818 optimal weight: 7.9990 chunk 316 optimal weight: 4.9990 chunk 497 optimal weight: 0.0020 chunk 609 optimal weight: 0.3980 chunk 948 optimal weight: 7.9990 overall best weight: 2.2192 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 203 HIS I 262 GLN I 264 ASN I 348 GLN ** Q 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 48 ASN Q 52 ASN Q 105 HIS Q 190 HIS Q 247 ASN Q 280 GLN Q 298 ASN Q 348 ASN Q 416 ASN ** Q 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 63 ASN Y 160 ASN Y 198 ASN ** Y 287 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 134 GLN A 198 HIS A 203 HIS A 262 GLN A 315 HIS J 48 ASN J 52 ASN J 105 HIS J 416 ASN J 426 GLN ** S 63 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 255 ASN S 287 GLN S 308 ASN B 11 GLN ** B 139 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 239 GLN B 262 GLN B 315 HIS B 348 GLN ** K 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 14 ASN K 52 ASN K 105 HIS K 165 ASN K 195 ASN ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 335 ASN T 63 ASN C 255 ASN C 262 GLN C 289 HIS C 315 HIS L 48 ASN L 52 ASN L 105 HIS L 348 ASN D 134 GLN D 203 HIS D 255 ASN D 262 GLN D 264 ASN D 315 HIS D 335 ASN ** D 364 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 52 ASN M 131 GLN M 165 ASN M 190 HIS M 292 GLN M 307 HIS M 416 ASN V 160 ASN V 255 ASN V 263 ASN ** E 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 134 GLN E 203 HIS E 262 GLN ** N 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 14 ASN N 48 ASN N 52 ASN N 247 ASN N 424 GLN N 426 GLN W 255 ASN F 11 GLN F 262 GLN F 348 GLN ** O 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 14 ASN O 52 ASN O 89 ASN O 105 HIS O 165 ASN ** O 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 279 GLN O 329 GLN G 203 HIS ** G 232 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 262 GLN G 289 HIS ** P 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 48 ASN P 52 ASN P 105 HIS ** P 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 165 ASN P 184 ASN P 227 HIS P 247 ASN P 292 GLN ** P 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 375 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 63 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 255 ASN ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 134 GLN ** H 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 262 GLN H 315 HIS ** R 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 48 ASN R 52 ASN R 256 ASN ** R 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 416 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 63 ASN a 308 ASN Total number of N/Q/H flips: 106 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6454 moved from start: 0.3158 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.072 85860 Z= 0.240 Angle : 0.637 8.798 116442 Z= 0.329 Chirality : 0.045 0.188 12825 Planarity : 0.004 0.063 15075 Dihedral : 9.861 148.048 12231 Min Nonbonded Distance : 2.061 Molprobity Statistics. All-atom Clashscore : 11.11 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.65 % Favored : 97.35 % Rotamer: Outliers : 0.35 % Allowed : 2.97 % Favored : 96.68 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -2.14 (0.07), residues: 10530 helix: -1.19 (0.07), residues: 4158 sheet: -1.59 (0.12), residues: 1656 loop : -1.41 (0.08), residues: 4716 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.021 0.002 TRP C 352 HIS 0.011 0.001 HIS J 190 PHE 0.028 0.002 PHE O 367 TYR 0.022 0.002 TYR O 281 ARG 0.016 0.001 ARG M 262 *********************** 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 3265 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 32 poor density : 3233 time to evaluate : 7.116 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: I 3 GLU cc_start: 0.5153 (mp0) cc_final: 0.4897 (mp0) REVERT: I 6 SER cc_start: 0.7496 (p) cc_final: 0.7264 (p) REVERT: I 22 GLU cc_start: 0.8028 (pt0) cc_final: 0.7659 (pt0) REVERT: I 24 TYR cc_start: 0.8121 (m-80) cc_final: 0.7593 (m-80) REVERT: I 85 ARG cc_start: 0.8205 (mtt180) cc_final: 0.7991 (mtt90) REVERT: I 89 TYR cc_start: 0.6150 (m-80) cc_final: 0.5119 (m-80) REVERT: I 91 GLN cc_start: 0.7321 (mp10) cc_final: 0.6693 (mp10) REVERT: I 118 LYS cc_start: 0.8682 (mmtt) cc_final: 0.7836 (mmtt) REVERT: I 134 GLN cc_start: 0.7837 (pp30) cc_final: 0.7571 (pp30) REVERT: I 158 LEU cc_start: 0.8391 (tp) cc_final: 0.7914 (tp) REVERT: I 192 ASN cc_start: 0.8387 (m-40) cc_final: 0.7616 (m-40) REVERT: I 196 THR cc_start: 0.8324 (t) cc_final: 0.7326 (m) REVERT: I 197 THR cc_start: 0.8429 (p) cc_final: 0.8077 (t) REVERT: I 217 ASP cc_start: 0.7656 (t0) cc_final: 0.7417 (t0) REVERT: I 255 ASN cc_start: 0.7005 (m110) cc_final: 0.6691 (m-40) REVERT: I 262 GLN cc_start: 0.7114 (OUTLIER) cc_final: 0.6768 (mp-120) REVERT: I 265 LEU cc_start: 0.8063 (mp) cc_final: 0.7688 (mm) REVERT: I 306 ASN cc_start: 0.8091 (t0) cc_final: 0.7593 (t0) REVERT: I 310 LYS cc_start: 0.7950 (mtpt) cc_final: 0.7349 (mtpt) REVERT: I 340 THR cc_start: 0.8321 (p) cc_final: 0.8111 (m) REVERT: I 344 LYS cc_start: 0.8447 (ttpt) cc_final: 0.7912 (ttpt) REVERT: I 347 ILE cc_start: 0.7751 (pt) cc_final: 0.7540 (pt) REVERT: I 348 GLN cc_start: 0.7379 (pt0) cc_final: 0.6882 (pt0) REVERT: I 358 LYS cc_start: 0.7415 (tptt) cc_final: 0.7080 (tptt) REVERT: I 362 ASN cc_start: 0.8237 (t0) cc_final: 0.7843 (t0) REVERT: I 376 LYS cc_start: 0.7873 (tmtt) cc_final: 0.7131 (tmtt) REVERT: I 378 GLN cc_start: 0.6857 (mp10) cc_final: 0.6193 (mm110) REVERT: I 398 ASP cc_start: 0.6319 (t70) cc_final: 0.6100 (t70) REVERT: I 401 PHE cc_start: 0.7554 (t80) cc_final: 0.7003 (t80) REVERT: I 408 ARG cc_start: 0.8118 (mmt-90) cc_final: 0.7588 (mmt180) REVERT: I 410 PHE cc_start: 0.8610 (m-80) cc_final: 0.8288 (m-10) REVERT: I 434 LEU cc_start: 0.7845 (tt) cc_final: 0.7628 (tp) REVERT: I 440 GLU cc_start: 0.8061 (tt0) cc_final: 0.7777 (tt0) REVERT: Q 14 ASN cc_start: 0.8543 (m-40) cc_final: 0.8093 (m-40) REVERT: Q 58 LYS cc_start: 0.7847 (tttt) cc_final: 0.7547 (tttt) REVERT: Q 62 ARG cc_start: 0.7997 (ptp-110) cc_final: 0.7092 (ptp-110) REVERT: Q 65 LEU cc_start: 0.6969 (mp) cc_final: 0.6768 (mp) REVERT: Q 73 MET cc_start: 0.8429 (mmt) cc_final: 0.7825 (mmt) REVERT: Q 74 ASP cc_start: 0.7557 (m-30) cc_final: 0.7287 (m-30) REVERT: Q 89 ASN cc_start: 0.8028 (m-40) cc_final: 0.7817 (m-40) REVERT: Q 100 ASN cc_start: 0.7861 (t0) cc_final: 0.7464 (t0) REVERT: Q 103 LYS cc_start: 0.7551 (mttt) cc_final: 0.6957 (mmmm) REVERT: Q 113 VAL cc_start: 0.8543 (p) cc_final: 0.8109 (t) REVERT: Q 122 LYS cc_start: 0.7883 (ptmm) cc_final: 0.7562 (ptmm) REVERT: Q 123 GLU cc_start: 0.7854 (mm-30) cc_final: 0.7194 (tp30) REVERT: Q 128 ASP cc_start: 0.7602 (t0) cc_final: 0.7353 (t0) REVERT: Q 147 MET cc_start: 0.5818 (tmm) cc_final: 0.5333 (tmm) REVERT: Q 157 GLU cc_start: 0.8632 (pt0) cc_final: 0.8404 (pt0) REVERT: Q 162 ARG cc_start: 0.6260 (mmp-170) cc_final: 0.5937 (mmt-90) REVERT: Q 204 ASN cc_start: 0.8546 (m-40) cc_final: 0.8273 (m-40) REVERT: Q 205 GLU cc_start: 0.7806 (tp30) cc_final: 0.7302 (tp30) REVERT: Q 215 LEU cc_start: 0.7783 (tp) cc_final: 0.7576 (tp) REVERT: Q 257 MET cc_start: 0.6951 (mmm) cc_final: 0.6648 (mmm) REVERT: Q 261 PRO cc_start: 0.8386 (Cg_exo) cc_final: 0.7798 (Cg_endo) REVERT: Q 264 HIS cc_start: 0.7555 (p-80) cc_final: 0.6570 (p-80) REVERT: Q 266 PHE cc_start: 0.7508 (m-10) cc_final: 0.7265 (m-10) REVERT: Q 276 ARG cc_start: 0.6778 (tpm170) cc_final: 0.6125 (tpm170) REVERT: Q 280 GLN cc_start: 0.7921 (mp-120) cc_final: 0.7148 (mp10) REVERT: Q 290 THR cc_start: 0.8215 (m) cc_final: 0.7646 (t) REVERT: Q 292 GLN cc_start: 0.7878 (tt0) cc_final: 0.7657 (tt0) REVERT: Q 293 MET cc_start: 0.7572 (mtp) cc_final: 0.6811 (mtp) REVERT: Q 297 LYS cc_start: 0.8174 (ttmt) cc_final: 0.7666 (ttmt) REVERT: Q 307 HIS cc_start: 0.7628 (m90) cc_final: 0.7313 (m-70) REVERT: Q 320 ARG cc_start: 0.7098 (mpt90) cc_final: 0.6846 (mpt90) REVERT: Q 321 MET cc_start: 0.7695 (ptp) cc_final: 0.6937 (ptp) REVERT: Q 335 ASN cc_start: 0.6992 (m110) cc_final: 0.6770 (m110) REVERT: Q 355 ASP cc_start: 0.7707 (m-30) cc_final: 0.7460 (m-30) REVERT: Q 385 PHE cc_start: 0.7688 (t80) cc_final: 0.7146 (t80) REVERT: Q 388 MET cc_start: 0.7928 (mtp) cc_final: 0.7233 (mtp) REVERT: Q 392 LYS cc_start: 0.8016 (mtmm) cc_final: 0.7520 (mtmm) REVERT: Q 397 TRP cc_start: 0.7973 (m100) cc_final: 0.7534 (m100) REVERT: Q 404 ASP cc_start: 0.7992 (t70) cc_final: 0.7709 (t70) REVERT: Q 421 GLU cc_start: 0.7753 (tt0) cc_final: 0.7217 (tt0) REVERT: Y 8 ASN cc_start: 0.5539 (m110) cc_final: 0.5264 (m110) REVERT: Y 59 GLU cc_start: 0.7427 (tp30) cc_final: 0.7053 (tp30) REVERT: Y 119 ILE cc_start: 0.7342 (mt) cc_final: 0.6976 (mt) REVERT: Y 226 LYS cc_start: 0.7016 (mtmt) cc_final: 0.6562 (mtmt) REVERT: Y 256 LYS cc_start: 0.7682 (mmmt) cc_final: 0.6752 (mmmt) REVERT: Y 282 MET cc_start: 0.7799 (tpt) cc_final: 0.7132 (tpt) REVERT: Y 286 LEU cc_start: 0.7292 (mm) cc_final: 0.6904 (mm) REVERT: Y 311 GLU cc_start: 0.7552 (pp20) cc_final: 0.7059 (pp20) REVERT: Y 313 LYS cc_start: 0.8533 (mtmt) cc_final: 0.8192 (mtmt) REVERT: Y 316 LEU cc_start: 0.7446 (mt) cc_final: 0.7173 (mt) REVERT: Y 320 GLN cc_start: 0.7083 (mt0) cc_final: 0.6828 (mm-40) REVERT: A 22 GLU cc_start: 0.7932 (pt0) cc_final: 0.7544 (pt0) REVERT: A 77 GLU cc_start: 0.6810 (pt0) cc_final: 0.6454 (pt0) REVERT: A 82 ASP cc_start: 0.7704 (p0) cc_final: 0.7358 (p0) REVERT: A 90 ARG cc_start: 0.6764 (mtm-85) cc_final: 0.6520 (mtm-85) REVERT: A 91 GLN cc_start: 0.7245 (mp10) cc_final: 0.6722 (mp10) REVERT: A 93 PHE cc_start: 0.6953 (m-80) cc_final: 0.6040 (m-80) REVERT: A 121 ILE cc_start: 0.8682 (pt) cc_final: 0.8303 (mm) REVERT: A 142 LEU cc_start: 0.7746 (pt) cc_final: 0.7250 (pt) REVERT: A 144 PHE cc_start: 0.7278 (m-80) cc_final: 0.6958 (m-80) REVERT: A 155 PHE cc_start: 0.8128 (t80) cc_final: 0.7840 (t80) REVERT: A 172 LYS cc_start: 0.7425 (mtmm) cc_final: 0.7130 (mtmm) REVERT: A 174 GLU cc_start: 0.6757 (mp0) cc_final: 0.6006 (mp0) REVERT: A 175 PHE cc_start: 0.7528 (m-80) cc_final: 0.7063 (m-10) REVERT: A 195 LEU cc_start: 0.8147 (mt) cc_final: 0.7845 (mt) REVERT: A 210 VAL cc_start: 0.6750 (m) cc_final: 0.6338 (t) REVERT: A 217 ASP cc_start: 0.7929 (t0) cc_final: 0.7386 (t0) REVERT: A 235 ARG cc_start: 0.7842 (mtt-85) cc_final: 0.7558 (mtt90) REVERT: A 240 ILE cc_start: 0.8361 (mt) cc_final: 0.8103 (mm) REVERT: A 259 THR cc_start: 0.8202 (p) cc_final: 0.7684 (p) REVERT: A 262 GLN cc_start: 0.7396 (OUTLIER) cc_final: 0.7147 (mp-120) REVERT: A 306 ASN cc_start: 0.7284 (t0) cc_final: 0.6591 (t0) REVERT: A 312 ASP cc_start: 0.6985 (t0) cc_final: 0.6573 (t0) REVERT: A 318 TYR cc_start: 0.6384 (m-10) cc_final: 0.6054 (m-10) REVERT: A 319 MET cc_start: 0.5956 (mmm) cc_final: 0.5419 (mmm) REVERT: A 358 LYS cc_start: 0.7541 (tptt) cc_final: 0.7222 (tptt) REVERT: A 364 GLN cc_start: 0.6425 (tm-30) cc_final: 0.6213 (tm-30) REVERT: A 384 LEU cc_start: 0.7524 (mm) cc_final: 0.7181 (mm) REVERT: A 385 SER cc_start: 0.7477 (m) cc_final: 0.7246 (p) REVERT: A 401 PHE cc_start: 0.7966 (t80) cc_final: 0.7728 (t80) REVERT: A 407 LYS cc_start: 0.7892 (mmmt) cc_final: 0.7390 (mmmt) REVERT: A 426 GLU cc_start: 0.7608 (tp30) cc_final: 0.6866 (tp30) REVERT: J 15 GLN cc_start: 0.8458 (mm110) cc_final: 0.8186 (mm-40) REVERT: J 20 PHE cc_start: 0.8499 (t80) cc_final: 0.8249 (t80) REVERT: J 21 TRP cc_start: 0.8515 (m100) cc_final: 0.8206 (m100) REVERT: J 22 GLU cc_start: 0.8462 (mt-10) cc_final: 0.8190 (mt-10) REVERT: J 58 LYS cc_start: 0.7357 (tttt) cc_final: 0.7148 (tttt) REVERT: J 68 LEU cc_start: 0.7214 (mt) cc_final: 0.6971 (mm) REVERT: J 73 MET cc_start: 0.8388 (mmt) cc_final: 0.7606 (mmt) REVERT: J 103 LYS cc_start: 0.7960 (mmmm) cc_final: 0.7731 (mmmm) REVERT: J 106 TYR cc_start: 0.7884 (m-80) cc_final: 0.7405 (m-10) REVERT: J 122 LYS cc_start: 0.8322 (ptmm) cc_final: 0.8027 (ptpt) REVERT: J 147 MET cc_start: 0.5999 (tmm) cc_final: 0.5674 (tmm) REVERT: J 152 ILE cc_start: 0.8410 (mm) cc_final: 0.8156 (mm) REVERT: J 153 SER cc_start: 0.7896 (p) cc_final: 0.7565 (t) REVERT: J 157 GLU cc_start: 0.8034 (pt0) cc_final: 0.7674 (pt0) REVERT: J 257 MET cc_start: 0.6866 (mmm) cc_final: 0.6374 (mmm) REVERT: J 265 PHE cc_start: 0.8331 (m-80) cc_final: 0.7687 (m-80) REVERT: J 270 PHE cc_start: 0.7100 (t80) cc_final: 0.6753 (t80) REVERT: J 273 LEU cc_start: 0.8289 (mt) cc_final: 0.7653 (mt) REVERT: J 276 ARG cc_start: 0.6842 (tpm170) cc_final: 0.5928 (tpm170) REVERT: J 292 GLN cc_start: 0.7536 (tt0) cc_final: 0.6824 (tm-30) REVERT: J 295 ASP cc_start: 0.7809 (t70) cc_final: 0.7395 (t0) REVERT: J 300 MET cc_start: 0.7672 (mtm) cc_final: 0.6632 (mpp) REVERT: J 309 ARG cc_start: 0.6509 (ptp-110) cc_final: 0.6237 (ptp-110) REVERT: J 313 VAL cc_start: 0.7773 (m) cc_final: 0.7548 (t) REVERT: J 326 VAL cc_start: 0.8781 (t) cc_final: 0.8150 (p) REVERT: J 327 ASP cc_start: 0.7537 (m-30) cc_final: 0.7078 (m-30) REVERT: J 330 MET cc_start: 0.7571 (ppp) cc_final: 0.7149 (ppp) REVERT: J 345 ILE cc_start: 0.7230 (mm) cc_final: 0.6876 (mm) REVERT: J 368 ILE cc_start: 0.6649 (mm) cc_final: 0.6428 (mm) REVERT: J 375 GLN cc_start: 0.8191 (pp30) cc_final: 0.7083 (tm-30) REVERT: J 379 LYS cc_start: 0.8696 (ptpp) cc_final: 0.7730 (pttp) REVERT: J 388 MET cc_start: 0.7844 (mtp) cc_final: 0.7391 (mtp) REVERT: J 406 MET cc_start: 0.7944 (mmm) cc_final: 0.7665 (mmm) REVERT: J 407 GLU cc_start: 0.8120 (mt-10) cc_final: 0.7710 (mt-10) REVERT: S 49 ASP cc_start: 0.5829 (m-30) cc_final: 0.5583 (m-30) REVERT: S 56 THR cc_start: 0.5933 (m) cc_final: 0.5600 (p) REVERT: S 211 ASN cc_start: 0.6471 (t0) cc_final: 0.6050 (t0) REVERT: S 249 ASP cc_start: 0.6643 (m-30) cc_final: 0.6310 (m-30) REVERT: S 256 LYS cc_start: 0.8370 (mmmt) cc_final: 0.7978 (mmmt) REVERT: B 3 GLU cc_start: 0.5354 (mp0) cc_final: 0.5107 (mp0) REVERT: B 15 GLN cc_start: 0.8057 (tt0) cc_final: 0.7417 (mm-40) REVERT: B 21 TRP cc_start: 0.8256 (m100) cc_final: 0.8014 (m100) REVERT: B 98 LEU cc_start: 0.7164 (mt) cc_final: 0.6945 (mm) REVERT: B 108 ASN cc_start: 0.6906 (t0) cc_final: 0.6483 (t0) REVERT: B 114 TYR cc_start: 0.8191 (m-80) cc_final: 0.7325 (m-80) REVERT: B 119 GLU cc_start: 0.7637 (pp20) cc_final: 0.7144 (pp20) REVERT: B 142 LEU cc_start: 0.7464 (pt) cc_final: 0.7123 (pp) REVERT: B 169 LYS cc_start: 0.7748 (ptmm) cc_final: 0.7342 (ptmm) REVERT: B 193 SER cc_start: 0.8497 (m) cc_final: 0.8291 (p) REVERT: B 217 ASP cc_start: 0.7155 (t0) cc_final: 0.6877 (t0) REVERT: B 220 ARG cc_start: 0.7073 (tmm-80) cc_final: 0.6285 (tmm-80) REVERT: B 235 ARG cc_start: 0.7667 (mtt-85) cc_final: 0.7068 (ttm110) REVERT: B 262 GLN cc_start: 0.7127 (OUTLIER) cc_final: 0.5962 (mp-120) REVERT: B 281 VAL cc_start: 0.8432 (p) cc_final: 0.8158 (m) REVERT: B 310 LYS cc_start: 0.8097 (mtpt) cc_final: 0.7710 (mtpt) REVERT: B 319 MET cc_start: 0.6818 (mmm) cc_final: 0.6505 (mmm) REVERT: B 340 THR cc_start: 0.8868 (p) cc_final: 0.8598 (m) REVERT: B 341 ILE cc_start: 0.9024 (mm) cc_final: 0.8803 (mm) REVERT: B 344 LYS cc_start: 0.8313 (ttpt) cc_final: 0.7831 (ttpt) REVERT: B 348 GLN cc_start: 0.7371 (pt0) cc_final: 0.7146 (tm-30) REVERT: B 350 VAL cc_start: 0.7557 (p) cc_final: 0.6347 (t) REVERT: B 351 ASP cc_start: 0.6538 (p0) cc_final: 0.5550 (p0) REVERT: B 379 ARG cc_start: 0.7912 (ptp90) cc_final: 0.7434 (mtm-85) REVERT: B 401 PHE cc_start: 0.7372 (t80) cc_final: 0.6783 (t80) REVERT: B 407 LYS cc_start: 0.8674 (mmmt) cc_final: 0.8372 (mmmt) REVERT: B 410 PHE cc_start: 0.8359 (m-80) cc_final: 0.7950 (m-80) REVERT: B 417 GLU cc_start: 0.6333 (tm-30) cc_final: 0.6089 (tm-30) REVERT: B 419 MET cc_start: 0.5391 (mmp) cc_final: 0.5044 (mmp) REVERT: B 426 GLU cc_start: 0.6997 (tp30) cc_final: 0.6482 (tp30) REVERT: B 430 ASP cc_start: 0.7635 (t0) cc_final: 0.7384 (t0) REVERT: K 3 GLU cc_start: 0.6678 (mp0) cc_final: 0.6215 (mp0) REVERT: K 22 GLU cc_start: 0.8412 (mt-10) cc_final: 0.8034 (mt-10) REVERT: K 31 ASP cc_start: 0.6107 (t0) cc_final: 0.5832 (t0) REVERT: K 45 GLU cc_start: 0.8265 (pp20) cc_final: 0.7710 (tm-30) REVERT: K 47 ILE cc_start: 0.8268 (tt) cc_final: 0.7901 (tt) REVERT: K 58 LYS cc_start: 0.7782 (mmmm) cc_final: 0.7472 (mmmm) REVERT: K 59 TYR cc_start: 0.6859 (m-80) cc_final: 0.6605 (m-80) REVERT: K 66 VAL cc_start: 0.8111 (m) cc_final: 0.7739 (p) REVERT: K 72 THR cc_start: 0.8437 (m) cc_final: 0.8189 (p) REVERT: K 73 MET cc_start: 0.8563 (mmt) cc_final: 0.7792 (mmt) REVERT: K 74 ASP cc_start: 0.7462 (m-30) cc_final: 0.7165 (m-30) REVERT: K 117 LEU cc_start: 0.7472 (tp) cc_final: 0.6783 (tp) REVERT: K 123 GLU cc_start: 0.8554 (mm-30) cc_final: 0.8264 (mm-30) REVERT: K 131 GLN cc_start: 0.6505 (tp-100) cc_final: 0.6083 (tp-100) REVERT: K 152 ILE cc_start: 0.8296 (mm) cc_final: 0.8003 (mm) REVERT: K 164 MET cc_start: 0.7538 (tpt) cc_final: 0.7255 (mmm) REVERT: K 194 GLU cc_start: 0.7455 (pt0) cc_final: 0.7032 (pt0) REVERT: K 233 MET cc_start: 0.8337 (mtm) cc_final: 0.8047 (mtm) REVERT: K 240 LEU cc_start: 0.8131 (pt) cc_final: 0.7375 (mp) REVERT: K 241 ARG cc_start: 0.7749 (mtm-85) cc_final: 0.7400 (mtm-85) REVERT: K 263 LEU cc_start: 0.8404 (mt) cc_final: 0.8101 (mt) REVERT: K 264 HIS cc_start: 0.7333 (p-80) cc_final: 0.6539 (p90) REVERT: K 265 PHE cc_start: 0.8020 (m-80) cc_final: 0.7734 (m-80) REVERT: K 270 PHE cc_start: 0.7077 (t80) cc_final: 0.6763 (t80) REVERT: K 289 LEU cc_start: 0.8261 (pp) cc_final: 0.8053 (pp) REVERT: K 293 MET cc_start: 0.7713 (mtp) cc_final: 0.6877 (mtp) REVERT: K 295 ASP cc_start: 0.8003 (t70) cc_final: 0.7774 (t70) REVERT: K 297 LYS cc_start: 0.7890 (ttmt) cc_final: 0.7233 (ttmt) REVERT: K 323 MET cc_start: 0.7680 (mmp) cc_final: 0.7280 (mmp) REVERT: K 324 LYS cc_start: 0.8147 (ttpt) cc_final: 0.7817 (ttpt) REVERT: K 327 ASP cc_start: 0.7544 (m-30) cc_final: 0.6654 (m-30) REVERT: K 330 MET cc_start: 0.6056 (ppp) cc_final: 0.5756 (ppp) REVERT: K 362 LYS cc_start: 0.7597 (mmmt) cc_final: 0.7226 (mmmm) REVERT: K 375 GLN cc_start: 0.8425 (pt0) cc_final: 0.7996 (pt0) REVERT: K 379 LYS cc_start: 0.8512 (ptpt) cc_final: 0.8116 (ptpt) REVERT: K 380 ARG cc_start: 0.8263 (ptm-80) cc_final: 0.7057 (tmt170) REVERT: K 386 THR cc_start: 0.8731 (m) cc_final: 0.8495 (p) REVERT: K 404 ASP cc_start: 0.6648 (m-30) cc_final: 0.6293 (m-30) REVERT: K 408 PHE cc_start: 0.8349 (m-80) cc_final: 0.7525 (m-80) REVERT: K 414 ASN cc_start: 0.8580 (m-40) cc_final: 0.7904 (m110) REVERT: K 415 MET cc_start: 0.8020 (mmm) cc_final: 0.7181 (mmm) REVERT: K 422 TYR cc_start: 0.7993 (m-80) cc_final: 0.7597 (m-80) REVERT: T 12 MET cc_start: 0.5357 (mtt) cc_final: 0.5085 (mtt) REVERT: T 22 GLU cc_start: 0.6593 (mt-10) cc_final: 0.6085 (mt-10) REVERT: T 40 VAL cc_start: 0.5596 (t) cc_final: 0.4949 (t) REVERT: T 44 LYS cc_start: 0.6694 (pttm) cc_final: 0.6405 (pttm) REVERT: T 48 PHE cc_start: 0.5082 (m-80) cc_final: 0.4776 (m-80) REVERT: T 105 MET cc_start: 0.5644 (ptt) cc_final: 0.5004 (ppp) REVERT: T 125 ASN cc_start: 0.7693 (p0) cc_final: 0.7157 (t0) REVERT: T 217 THR cc_start: 0.5911 (p) cc_final: 0.5456 (p) REVERT: T 250 GLU cc_start: 0.6872 (mm-30) cc_final: 0.6141 (mm-30) REVERT: T 252 LYS cc_start: 0.7270 (mttt) cc_final: 0.6947 (mttt) REVERT: T 256 LYS cc_start: 0.7501 (mmmt) cc_final: 0.7067 (mmmt) REVERT: T 308 ASN cc_start: 0.6934 (p0) cc_final: 0.6561 (p0) REVERT: T 309 GLU cc_start: 0.7485 (mt-10) cc_final: 0.7284 (mm-30) REVERT: T 313 LYS cc_start: 0.8169 (mtmt) cc_final: 0.7833 (mtmt) REVERT: T 323 LYS cc_start: 0.7085 (tptm) cc_final: 0.6487 (tptm) REVERT: C 15 GLN cc_start: 0.7997 (tp40) cc_final: 0.7656 (mm-40) REVERT: C 93 PHE cc_start: 0.6684 (m-80) cc_final: 0.6444 (m-80) REVERT: C 108 ASN cc_start: 0.6629 (t0) cc_final: 0.6262 (t0) REVERT: C 127 ARG cc_start: 0.8442 (mmm160) cc_final: 0.8214 (mmm160) REVERT: C 129 ARG cc_start: 0.6273 (tpm170) cc_final: 0.5658 (tpp-160) REVERT: C 161 GLU cc_start: 0.8354 (pt0) cc_final: 0.8096 (pt0) REVERT: C 169 LYS cc_start: 0.7853 (ptmm) cc_final: 0.7524 (ptmm) REVERT: C 192 ASN cc_start: 0.8272 (m-40) cc_final: 0.7709 (m-40) REVERT: C 220 ARG cc_start: 0.7379 (tmm-80) cc_final: 0.6739 (tmm-80) REVERT: C 222 ASN cc_start: 0.7883 (m-40) cc_final: 0.7474 (m-40) REVERT: C 227 ARG cc_start: 0.7344 (mtm-85) cc_final: 0.6804 (mmm-85) REVERT: C 235 ARG cc_start: 0.7545 (mtt-85) cc_final: 0.7264 (tpp80) REVERT: C 262 GLN cc_start: 0.7274 (OUTLIER) cc_final: 0.6477 (mp-120) REVERT: C 286 LYS cc_start: 0.8830 (ttmt) cc_final: 0.8554 (ttmt) REVERT: C 290 GLU cc_start: 0.7611 (tp30) cc_final: 0.7316 (tp30) REVERT: C 306 ASN cc_start: 0.8196 (t0) cc_final: 0.7805 (t0) REVERT: C 318 TYR cc_start: 0.6673 (m-80) cc_final: 0.6151 (m-80) REVERT: C 319 MET cc_start: 0.6779 (mmm) cc_final: 0.5912 (mmm) REVERT: C 334 VAL cc_start: 0.8077 (p) cc_final: 0.7745 (t) REVERT: C 344 LYS cc_start: 0.8550 (ttpt) cc_final: 0.8018 (ttpt) REVERT: C 348 GLN cc_start: 0.6829 (tm-30) cc_final: 0.6518 (tm-30) REVERT: C 362 ASN cc_start: 0.7924 (t0) cc_final: 0.7446 (t0) REVERT: C 376 LYS cc_start: 0.7409 (tmtt) cc_final: 0.7112 (tmtt) REVERT: C 379 ARG cc_start: 0.7647 (ptp90) cc_final: 0.7409 (mtm-85) REVERT: C 383 MET cc_start: 0.7077 (tpt) cc_final: 0.6595 (tpt) REVERT: C 400 LYS cc_start: 0.6731 (ptpt) cc_final: 0.6523 (pttm) REVERT: C 401 PHE cc_start: 0.7458 (t80) cc_final: 0.6981 (t80) REVERT: C 404 MET cc_start: 0.7003 (mtm) cc_final: 0.6672 (mtm) REVERT: C 407 LYS cc_start: 0.8073 (mmmt) cc_final: 0.7744 (mmmm) REVERT: C 410 PHE cc_start: 0.8319 (m-80) cc_final: 0.7983 (m-80) REVERT: C 419 MET cc_start: 0.6940 (mmp) cc_final: 0.6126 (mmm) REVERT: C 423 GLU cc_start: 0.7768 (pm20) cc_final: 0.7349 (pm20) REVERT: C 426 GLU cc_start: 0.7145 (tp30) cc_final: 0.6582 (tp30) REVERT: C 430 ASP cc_start: 0.7823 (t0) cc_final: 0.7510 (t0) REVERT: L 3 GLU cc_start: 0.5875 (mp0) cc_final: 0.5554 (mp0) REVERT: L 15 GLN cc_start: 0.8839 (mm110) cc_final: 0.8627 (mm-40) REVERT: L 22 GLU cc_start: 0.8767 (mt-10) cc_final: 0.8371 (mt-10) REVERT: L 24 ILE cc_start: 0.8955 (pt) cc_final: 0.8696 (pt) REVERT: L 45 GLU cc_start: 0.8143 (pp20) cc_final: 0.7807 (tm-30) REVERT: L 53 GLU cc_start: 0.7552 (tp30) cc_final: 0.6758 (tp30) REVERT: L 58 LYS cc_start: 0.8021 (tttt) cc_final: 0.7663 (tttt) REVERT: L 59 TYR cc_start: 0.6518 (m-80) cc_final: 0.6126 (m-80) REVERT: L 62 ARG cc_start: 0.7586 (ttm-80) cc_final: 0.5542 (ttm-80) REVERT: L 69 GLU cc_start: 0.7580 (tp30) cc_final: 0.6995 (pp20) REVERT: L 74 ASP cc_start: 0.7547 (m-30) cc_final: 0.7289 (m-30) REVERT: L 108 GLU cc_start: 0.6399 (mp0) cc_final: 0.5889 (mp0) REVERT: L 123 GLU cc_start: 0.8007 (mm-30) cc_final: 0.7255 (tp30) REVERT: L 147 MET cc_start: 0.6554 (tmm) cc_final: 0.6201 (tmm) REVERT: L 155 ILE cc_start: 0.8315 (mt) cc_final: 0.7812 (tp) REVERT: L 157 GLU cc_start: 0.8388 (pt0) cc_final: 0.7969 (pt0) REVERT: L 158 GLU cc_start: 0.8120 (tt0) cc_final: 0.7852 (tt0) REVERT: L 159 TYR cc_start: 0.8367 (m-80) cc_final: 0.7697 (m-80) REVERT: L 179 VAL cc_start: 0.8821 (t) cc_final: 0.8604 (p) REVERT: L 184 ASN cc_start: 0.7769 (m-40) cc_final: 0.7435 (m-40) REVERT: L 194 GLU cc_start: 0.7388 (pt0) cc_final: 0.7099 (pt0) REVERT: L 205 GLU cc_start: 0.8433 (pt0) cc_final: 0.8125 (pp20) REVERT: L 224 ASP cc_start: 0.7666 (m-30) cc_final: 0.7406 (m-30) REVERT: L 233 MET cc_start: 0.7821 (mtp) cc_final: 0.7328 (mtp) REVERT: L 245 GLN cc_start: 0.7359 (mm-40) cc_final: 0.6238 (mm110) REVERT: L 257 MET cc_start: 0.8055 (mmm) cc_final: 0.7339 (tpp) REVERT: L 262 ARG cc_start: 0.7113 (mtm-85) cc_final: 0.6406 (mtm-85) REVERT: L 264 HIS cc_start: 0.7215 (p-80) cc_final: 0.7002 (p-80) REVERT: L 265 PHE cc_start: 0.8403 (m-80) cc_final: 0.7059 (m-80) REVERT: L 276 ARG cc_start: 0.6794 (tpm170) cc_final: 0.6308 (tpm170) REVERT: L 281 TYR cc_start: 0.7303 (m-80) cc_final: 0.6775 (m-80) REVERT: L 293 MET cc_start: 0.7714 (mtp) cc_final: 0.7097 (mtp) REVERT: L 320 ARG cc_start: 0.6867 (mmt90) cc_final: 0.6342 (mmt90) REVERT: L 323 MET cc_start: 0.8211 (mmp) cc_final: 0.7687 (mmp) REVERT: L 324 LYS cc_start: 0.8010 (ttpt) cc_final: 0.7553 (ttpp) REVERT: L 325 GLU cc_start: 0.8312 (mt-10) cc_final: 0.7782 (mt-10) REVERT: L 327 ASP cc_start: 0.7696 (m-30) cc_final: 0.6908 (m-30) REVERT: L 344 TRP cc_start: 0.7027 (p-90) cc_final: 0.6605 (p90) REVERT: L 345 ILE cc_start: 0.7289 (mt) cc_final: 0.6545 (tp) REVERT: L 347 ASN cc_start: 0.7339 (t0) cc_final: 0.7108 (t0) REVERT: L 350 LYS cc_start: 0.8209 (tptp) cc_final: 0.7867 (tptp) REVERT: L 362 LYS cc_start: 0.7834 (mmmt) cc_final: 0.7466 (mmmm) REVERT: L 375 GLN cc_start: 0.8478 (pt0) cc_final: 0.7769 (pt0) REVERT: L 376 GLU cc_start: 0.7644 (mm-30) cc_final: 0.6946 (mm-30) REVERT: L 395 LEU cc_start: 0.7554 (mt) cc_final: 0.7079 (mt) REVERT: L 404 ASP cc_start: 0.7206 (t0) cc_final: 0.6971 (t0) REVERT: L 408 PHE cc_start: 0.8153 (m-80) cc_final: 0.7421 (m-80) REVERT: L 410 GLU cc_start: 0.8430 (mt-10) cc_final: 0.8135 (mt-10) REVERT: L 414 ASN cc_start: 0.8380 (m-40) cc_final: 0.7932 (m-40) REVERT: L 421 GLU cc_start: 0.8101 (tt0) cc_final: 0.7260 (tt0) REVERT: L 422 TYR cc_start: 0.8114 (m-80) cc_final: 0.7368 (m-80) REVERT: U 44 LYS cc_start: 0.6457 (pttm) cc_final: 0.5930 (pttm) REVERT: U 46 TYR cc_start: 0.6261 (m-80) cc_final: 0.5818 (m-80) REVERT: U 48 PHE cc_start: 0.4783 (m-80) cc_final: 0.4502 (m-80) REVERT: U 59 GLU cc_start: 0.4341 (tp30) cc_final: 0.4038 (tp30) REVERT: U 105 MET cc_start: 0.5547 (ptt) cc_final: 0.5100 (ptt) REVERT: U 116 PHE cc_start: 0.5673 (m-10) cc_final: 0.5418 (m-10) REVERT: U 250 GLU cc_start: 0.6792 (mm-30) cc_final: 0.6441 (mm-30) REVERT: U 256 LYS cc_start: 0.7725 (mmmt) cc_final: 0.7193 (mmmt) REVERT: U 313 LYS cc_start: 0.7712 (mtmt) cc_final: 0.7445 (ttpp) REVERT: U 323 LYS cc_start: 0.6984 (tptm) cc_final: 0.6624 (tptm) REVERT: D 6 SER cc_start: 0.7392 (p) cc_final: 0.7130 (p) REVERT: D 18 ASN cc_start: 0.7917 (p0) cc_final: 0.7711 (p0) REVERT: D 22 GLU cc_start: 0.8201 (pt0) cc_final: 0.7685 (pt0) REVERT: D 93 PHE cc_start: 0.7004 (m-80) cc_final: 0.6614 (m-80) REVERT: D 102 LYS cc_start: 0.6995 (tptp) cc_final: 0.5831 (tptp) REVERT: D 108 ASN cc_start: 0.6685 (t0) cc_final: 0.6070 (t0) REVERT: D 118 LYS cc_start: 0.8717 (mmtt) cc_final: 0.7885 (mmtt) REVERT: D 119 GLU cc_start: 0.8062 (pp20) cc_final: 0.7813 (pp20) REVERT: D 139 GLN cc_start: 0.7782 (mm-40) cc_final: 0.7565 (mt0) REVERT: D 158 LEU cc_start: 0.8420 (tp) cc_final: 0.8109 (tp) REVERT: D 174 GLU cc_start: 0.7013 (mp0) cc_final: 0.6029 (mp0) REVERT: D 190 PRO cc_start: 0.8806 (Cg_exo) cc_final: 0.8433 (Cg_endo) REVERT: D 192 ASN cc_start: 0.8171 (m-40) cc_final: 0.7589 (m-40) REVERT: D 196 THR cc_start: 0.8432 (t) cc_final: 0.8087 (t) REVERT: D 197 THR cc_start: 0.8721 (m) cc_final: 0.8435 (t) REVERT: D 198 HIS cc_start: 0.8537 (t-90) cc_final: 0.8318 (t-90) REVERT: D 230 TYR cc_start: 0.5790 (m-10) cc_final: 0.5555 (m-80) REVERT: D 255 ASN cc_start: 0.6767 (m110) cc_final: 0.6532 (m-40) REVERT: D 262 GLN cc_start: 0.7304 (OUTLIER) cc_final: 0.7014 (mp-120) REVERT: D 265 LEU cc_start: 0.7788 (mp) cc_final: 0.7484 (mp) REVERT: D 272 HIS cc_start: 0.6608 (p90) cc_final: 0.5852 (p90) REVERT: D 278 TYR cc_start: 0.7724 (t80) cc_final: 0.7238 (t80) REVERT: D 298 THR cc_start: 0.8438 (p) cc_final: 0.8236 (p) REVERT: D 308 MET cc_start: 0.7972 (mmm) cc_final: 0.7298 (mmm) REVERT: D 319 MET cc_start: 0.6261 (mmm) cc_final: 0.5697 (mmm) REVERT: D 344 LYS cc_start: 0.8354 (ttpt) cc_final: 0.7879 (ttpt) REVERT: D 358 LYS cc_start: 0.7308 (tptt) cc_final: 0.6598 (tppt) REVERT: D 401 PHE cc_start: 0.7393 (t80) cc_final: 0.7010 (t80) REVERT: D 407 LYS cc_start: 0.8704 (mmmt) cc_final: 0.8372 (mttt) REVERT: D 408 ARG cc_start: 0.8029 (mmt-90) cc_final: 0.7687 (mpt180) REVERT: D 410 PHE cc_start: 0.8739 (m-80) cc_final: 0.8190 (m-80) REVERT: D 419 MET cc_start: 0.5814 (mmm) cc_final: 0.4961 (tpp) REVERT: D 423 GLU cc_start: 0.7859 (pm20) cc_final: 0.7599 (pm20) REVERT: D 430 ASP cc_start: 0.7397 (t0) cc_final: 0.7124 (t0) REVERT: D 440 GLU cc_start: 0.7927 (tt0) cc_final: 0.7672 (tt0) REVERT: M 14 ASN cc_start: 0.8462 (m-40) cc_final: 0.8083 (m-40) REVERT: M 15 GLN cc_start: 0.8712 (mm110) cc_final: 0.8497 (mm-40) REVERT: M 22 GLU cc_start: 0.8392 (mt-10) cc_final: 0.7908 (mt-10) REVERT: M 47 ILE cc_start: 0.8000 (tt) cc_final: 0.7665 (tt) REVERT: M 59 TYR cc_start: 0.7972 (m-80) cc_final: 0.7604 (m-80) REVERT: M 100 ASN cc_start: 0.7476 (t0) cc_final: 0.7021 (t0) REVERT: M 103 LYS cc_start: 0.7732 (mttt) cc_final: 0.6880 (mmmm) REVERT: M 122 LYS cc_start: 0.8022 (ptmm) cc_final: 0.7735 (ptmm) REVERT: M 123 GLU cc_start: 0.7882 (mm-30) cc_final: 0.7422 (mm-30) REVERT: M 133 PHE cc_start: 0.6779 (m-80) cc_final: 0.6450 (m-80) REVERT: M 147 MET cc_start: 0.5569 (tmm) cc_final: 0.5053 (tmm) REVERT: M 170 MET cc_start: 0.7422 (ptm) cc_final: 0.7213 (ttm) REVERT: M 179 VAL cc_start: 0.8538 (t) cc_final: 0.8267 (m) REVERT: M 181 GLU cc_start: 0.8144 (pt0) cc_final: 0.7914 (pt0) REVERT: M 184 ASN cc_start: 0.8054 (m-40) cc_final: 0.7501 (m-40) REVERT: M 195 ASN cc_start: 0.6881 (p0) cc_final: 0.6512 (p0) REVERT: M 204 ASN cc_start: 0.8488 (m-40) cc_final: 0.8244 (m-40) REVERT: M 224 ASP cc_start: 0.7650 (m-30) cc_final: 0.7219 (m-30) REVERT: M 227 HIS cc_start: 0.7504 (t-170) cc_final: 0.7014 (m-70) REVERT: M 240 LEU cc_start: 0.8032 (pp) cc_final: 0.7490 (mp) REVERT: M 264 HIS cc_start: 0.7797 (p-80) cc_final: 0.7455 (p-80) REVERT: M 267 MET cc_start: 0.7566 (ttm) cc_final: 0.7241 (ttm) REVERT: M 270 PHE cc_start: 0.7124 (t80) cc_final: 0.6904 (t80) REVERT: M 276 ARG cc_start: 0.6697 (tpm170) cc_final: 0.6192 (tpm170) REVERT: M 290 THR cc_start: 0.8260 (m) cc_final: 0.7154 (p) REVERT: M 293 MET cc_start: 0.7349 (mtm) cc_final: 0.7116 (mtm) REVERT: M 295 ASP cc_start: 0.7858 (t70) cc_final: 0.7377 (t70) REVERT: M 300 MET cc_start: 0.7710 (mtt) cc_final: 0.7045 (mmm) REVERT: M 321 MET cc_start: 0.7616 (ptp) cc_final: 0.7377 (ptm) REVERT: M 323 MET cc_start: 0.7928 (mmp) cc_final: 0.7416 (mmp) REVERT: M 327 ASP cc_start: 0.7980 (m-30) cc_final: 0.7441 (m-30) REVERT: M 330 MET cc_start: 0.7447 (ppp) cc_final: 0.7047 (ppp) REVERT: M 337 ASN cc_start: 0.7561 (m-40) cc_final: 0.6870 (m-40) REVERT: M 340 TYR cc_start: 0.7231 (m-80) cc_final: 0.6764 (m-80) REVERT: M 353 VAL cc_start: 0.8144 (m) cc_final: 0.7615 (p) REVERT: M 383 GLU cc_start: 0.7666 (pp20) cc_final: 0.7334 (pp20) REVERT: M 384 GLN cc_start: 0.8180 (mt0) cc_final: 0.7537 (mt0) REVERT: M 388 MET cc_start: 0.8002 (mtp) cc_final: 0.7435 (mtp) REVERT: M 415 MET cc_start: 0.8093 (mmm) cc_final: 0.7372 (mmm) REVERT: M 422 TYR cc_start: 0.8477 (m-80) cc_final: 0.7742 (m-80) REVERT: M 424 GLN cc_start: 0.5974 (tp40) cc_final: 0.5735 (tp40) REVERT: V 12 MET cc_start: 0.6887 (mpp) cc_final: 0.6328 (mpp) REVERT: V 32 LYS cc_start: 0.7847 (tttt) cc_final: 0.7615 (tttt) REVERT: V 59 GLU cc_start: 0.7174 (tm-30) cc_final: 0.6676 (tm-30) REVERT: V 92 THR cc_start: 0.7022 (p) cc_final: 0.6688 (p) REVERT: V 105 MET cc_start: 0.5498 (ptt) cc_final: 0.5255 (ptm) REVERT: V 197 MET cc_start: 0.6975 (tpt) cc_final: 0.6137 (tpt) REVERT: V 256 LYS cc_start: 0.8069 (mmmt) cc_final: 0.7291 (mmmt) REVERT: V 313 LYS cc_start: 0.8188 (mtmt) cc_final: 0.7934 (mtmt) REVERT: E 22 GLU cc_start: 0.7795 (pt0) cc_final: 0.7399 (pt0) REVERT: E 61 GLU cc_start: 0.5142 (tm-30) cc_final: 0.4611 (tm-30) REVERT: E 70 ARG cc_start: 0.6967 (mtt90) cc_final: 0.6681 (mtt-85) REVERT: E 93 PHE cc_start: 0.6778 (m-80) cc_final: 0.6549 (m-80) REVERT: E 107 ASN cc_start: 0.6489 (m-40) cc_final: 0.6166 (m110) REVERT: E 108 ASN cc_start: 0.6397 (t0) cc_final: 0.5987 (t0) REVERT: E 124 VAL cc_start: 0.8986 (m) cc_final: 0.8727 (p) REVERT: E 158 LEU cc_start: 0.8212 (tp) cc_final: 0.7882 (tp) REVERT: E 172 LYS cc_start: 0.7902 (mtmm) cc_final: 0.7637 (mtmm) REVERT: E 197 THR cc_start: 0.8394 (p) cc_final: 0.8128 (p) REVERT: E 212 ASN cc_start: 0.7237 (p0) cc_final: 0.6953 (p0) REVERT: E 220 ARG cc_start: 0.7359 (tpp80) cc_final: 0.7102 (tpp80) REVERT: E 225 ILE cc_start: 0.6727 (mm) cc_final: 0.6412 (tp) REVERT: E 230 TYR cc_start: 0.7055 (m-80) cc_final: 0.6789 (m-80) REVERT: E 231 THR cc_start: 0.8100 (m) cc_final: 0.7745 (m) REVERT: E 232 ASN cc_start: 0.8131 (m-40) cc_final: 0.7869 (p0) REVERT: E 233 LEU cc_start: 0.8491 (mp) cc_final: 0.8152 (mp) REVERT: E 248 LEU cc_start: 0.8653 (mt) cc_final: 0.8427 (mm) REVERT: E 258 LEU cc_start: 0.8341 (tt) cc_final: 0.7825 (tt) REVERT: E 262 GLN cc_start: 0.7518 (OUTLIER) cc_final: 0.7236 (mp-120) REVERT: E 263 THR cc_start: 0.8382 (p) cc_final: 0.8037 (m) REVERT: E 286 LYS cc_start: 0.8359 (mttp) cc_final: 0.8120 (mtpt) REVERT: E 288 TYR cc_start: 0.7411 (m-80) cc_final: 0.7107 (m-80) REVERT: E 306 ASN cc_start: 0.7882 (t0) cc_final: 0.7251 (t0) REVERT: E 319 MET cc_start: 0.6343 (mmm) cc_final: 0.5577 (mmm) REVERT: E 342 LYS cc_start: 0.8729 (mtpp) cc_final: 0.8383 (mtmm) REVERT: E 358 LYS cc_start: 0.7566 (tptt) cc_final: 0.7313 (tptt) REVERT: E 383 MET cc_start: 0.6602 (tpt) cc_final: 0.5974 (tpt) REVERT: E 384 LEU cc_start: 0.7078 (mm) cc_final: 0.6664 (mm) REVERT: E 401 PHE cc_start: 0.8297 (t80) cc_final: 0.8057 (t80) REVERT: E 426 GLU cc_start: 0.7739 (tp30) cc_final: 0.6997 (tp30) REVERT: E 429 GLU cc_start: 0.7080 (pp20) cc_final: 0.6761 (pp20) REVERT: E 431 MET cc_start: 0.8151 (tpp) cc_final: 0.7365 (ptm) REVERT: E 439 GLU cc_start: 0.7744 (pt0) cc_final: 0.7280 (pt0) REVERT: N 74 ASP cc_start: 0.7837 (m-30) cc_final: 0.7635 (m-30) REVERT: N 83 GLN cc_start: 0.7699 (mm-40) cc_final: 0.6979 (mm-40) REVERT: N 106 TYR cc_start: 0.7985 (m-80) cc_final: 0.7166 (m-10) REVERT: N 113 VAL cc_start: 0.8469 (p) cc_final: 0.8037 (m) REVERT: N 122 LYS cc_start: 0.8499 (ptmm) cc_final: 0.8143 (ptmm) REVERT: N 123 GLU cc_start: 0.8436 (mm-30) cc_final: 0.7739 (tp30) REVERT: N 131 GLN cc_start: 0.6392 (tp-100) cc_final: 0.5966 (tp-100) REVERT: N 159 TYR cc_start: 0.8461 (m-80) cc_final: 0.7695 (m-10) REVERT: N 181 GLU cc_start: 0.7989 (pt0) cc_final: 0.7787 (pt0) REVERT: N 188 SER cc_start: 0.8146 (p) cc_final: 0.7251 (m) REVERT: N 191 GLN cc_start: 0.7777 (mp10) cc_final: 0.7431 (mp10) REVERT: N 241 ARG cc_start: 0.8177 (ttm170) cc_final: 0.7922 (ttm-80) REVERT: N 257 MET cc_start: 0.6870 (mmm) cc_final: 0.6141 (mmm) REVERT: N 265 PHE cc_start: 0.8423 (m-80) cc_final: 0.7873 (m-80) REVERT: N 276 ARG cc_start: 0.7276 (tpm170) cc_final: 0.6379 (tpm170) REVERT: N 280 GLN cc_start: 0.8107 (mp10) cc_final: 0.7349 (mp10) REVERT: N 295 ASP cc_start: 0.8313 (t70) cc_final: 0.7909 (t70) REVERT: N 300 MET cc_start: 0.7360 (mtt) cc_final: 0.6757 (mpp) REVERT: N 309 ARG cc_start: 0.6482 (ptp-110) cc_final: 0.6148 (ptp-110) REVERT: N 327 ASP cc_start: 0.7481 (m-30) cc_final: 0.6699 (m-30) REVERT: N 330 MET cc_start: 0.7557 (ppp) cc_final: 0.7275 (ppp) REVERT: N 337 ASN cc_start: 0.6779 (t0) cc_final: 0.6018 (t0) REVERT: N 340 TYR cc_start: 0.6711 (m-80) cc_final: 0.6413 (m-80) REVERT: N 385 PHE cc_start: 0.7527 (t80) cc_final: 0.7122 (t80) REVERT: N 392 LYS cc_start: 0.7992 (mtmm) cc_final: 0.7476 (mtmm) REVERT: N 404 ASP cc_start: 0.7757 (t70) cc_final: 0.7435 (t70) REVERT: N 406 MET cc_start: 0.8050 (mmm) cc_final: 0.7842 (mmm) REVERT: N 415 MET cc_start: 0.8166 (mmm) cc_final: 0.7821 (mmm) REVERT: W 64 ASP cc_start: 0.8286 (t0) cc_final: 0.7928 (t0) REVERT: W 92 THR cc_start: 0.6458 (m) cc_final: 0.6220 (p) REVERT: W 133 SER cc_start: 0.5738 (p) cc_final: 0.5509 (p) REVERT: W 155 VAL cc_start: 0.7562 (t) cc_final: 0.7351 (p) REVERT: W 211 ASN cc_start: 0.6417 (t0) cc_final: 0.6023 (t0) REVERT: W 228 TYR cc_start: 0.6458 (m-80) cc_final: 0.6092 (m-80) REVERT: W 249 ASP cc_start: 0.7263 (m-30) cc_final: 0.6903 (m-30) REVERT: W 274 TYR cc_start: 0.5057 (t80) cc_final: 0.4682 (t80) REVERT: W 313 LYS cc_start: 0.8745 (mtmt) cc_final: 0.8507 (mtmt) REVERT: F 23 LEU cc_start: 0.8703 (tt) cc_final: 0.8488 (tt) REVERT: F 24 TYR cc_start: 0.8293 (m-80) cc_final: 0.8005 (m-80) REVERT: F 91 GLN cc_start: 0.6619 (mp10) cc_final: 0.6354 (mp10) REVERT: F 108 ASN cc_start: 0.6720 (t0) cc_final: 0.6413 (t0) REVERT: F 114 TYR cc_start: 0.7903 (m-80) cc_final: 0.7512 (m-80) REVERT: F 119 GLU cc_start: 0.7766 (pp20) cc_final: 0.7223 (pp20) REVERT: F 155 PHE cc_start: 0.7921 (t80) cc_final: 0.7174 (t80) REVERT: F 169 LYS cc_start: 0.7496 (ptmm) cc_final: 0.7125 (ptmm) REVERT: F 172 LYS cc_start: 0.7406 (mtmm) cc_final: 0.7062 (mtmm) REVERT: F 192 ASN cc_start: 0.8016 (m-40) cc_final: 0.7449 (m-40) REVERT: F 193 SER cc_start: 0.8133 (m) cc_final: 0.7910 (p) REVERT: F 222 ASN cc_start: 0.7358 (m110) cc_final: 0.7129 (m110) REVERT: F 230 TYR cc_start: 0.6315 (m-10) cc_final: 0.6092 (m-10) REVERT: F 233 LEU cc_start: 0.7801 (mm) cc_final: 0.7574 (pp) REVERT: F 235 ARG cc_start: 0.7298 (mtt-85) cc_final: 0.6771 (ttm110) REVERT: F 244 ILE cc_start: 0.8575 (mt) cc_final: 0.8174 (pt) REVERT: F 319 MET cc_start: 0.6653 (mmm) cc_final: 0.5621 (mmm) REVERT: F 325 TYR cc_start: 0.7614 (m-80) cc_final: 0.7019 (m-10) REVERT: F 340 THR cc_start: 0.8638 (p) cc_final: 0.8420 (m) REVERT: F 341 ILE cc_start: 0.8923 (mm) cc_final: 0.8712 (mm) REVERT: F 358 LYS cc_start: 0.7575 (tptt) cc_final: 0.6355 (mmmm) REVERT: F 376 LYS cc_start: 0.7708 (tmtt) cc_final: 0.7420 (tmtt) REVERT: F 379 ARG cc_start: 0.7734 (ptp90) cc_final: 0.7393 (ptp90) REVERT: F 383 MET cc_start: 0.7371 (tpt) cc_final: 0.7106 (tpt) REVERT: F 401 PHE cc_start: 0.6870 (t80) cc_final: 0.6344 (t80) REVERT: F 410 PHE cc_start: 0.8614 (m-80) cc_final: 0.8369 (m-80) REVERT: F 413 TRP cc_start: 0.7900 (m100) cc_final: 0.7526 (m100) REVERT: F 419 MET cc_start: 0.5747 (mmp) cc_final: 0.4242 (mtt) REVERT: F 426 GLU cc_start: 0.6781 (tp30) cc_final: 0.6394 (tp30) REVERT: F 430 ASP cc_start: 0.7828 (t0) cc_final: 0.7286 (t0) REVERT: F 434 LEU cc_start: 0.7466 (mt) cc_final: 0.6940 (mm) REVERT: O 15 GLN cc_start: 0.8810 (mm110) cc_final: 0.8371 (mm-40) REVERT: O 20 PHE cc_start: 0.8519 (t80) cc_final: 0.8064 (t80) REVERT: O 22 GLU cc_start: 0.8450 (mt-10) cc_final: 0.7765 (mt-10) REVERT: O 24 ILE cc_start: 0.8905 (pt) cc_final: 0.8578 (pt) REVERT: O 40 SER cc_start: 0.7532 (t) cc_final: 0.7017 (p) REVERT: O 53 GLU cc_start: 0.7477 (tp30) cc_final: 0.6690 (tp30) REVERT: O 108 GLU cc_start: 0.6004 (mp0) cc_final: 0.5352 (mp0) REVERT: O 121 ARG cc_start: 0.7546 (mtt180) cc_final: 0.7296 (mtm-85) REVERT: O 122 LYS cc_start: 0.8053 (ptmm) cc_final: 0.7787 (ptmm) REVERT: O 131 GLN cc_start: 0.6392 (tp-100) cc_final: 0.5720 (tp-100) REVERT: O 147 MET cc_start: 0.6823 (tmm) cc_final: 0.6608 (tmm) REVERT: O 149 THR cc_start: 0.8206 (p) cc_final: 0.8000 (p) REVERT: O 151 LEU cc_start: 0.7723 (pp) cc_final: 0.7502 (pp) REVERT: O 165 ASN cc_start: 0.7341 (OUTLIER) cc_final: 0.6866 (m-40) REVERT: O 186 THR cc_start: 0.8578 (m) cc_final: 0.8209 (t) REVERT: O 202 ILE cc_start: 0.7321 (mt) cc_final: 0.6964 (tt) REVERT: O 257 MET cc_start: 0.7471 (mmm) cc_final: 0.7072 (tpp) REVERT: O 264 HIS cc_start: 0.7382 (p90) cc_final: 0.6940 (p-80) REVERT: O 265 PHE cc_start: 0.7783 (m-80) cc_final: 0.7256 (m-80) REVERT: O 267 MET cc_start: 0.7436 (ttm) cc_final: 0.7091 (ttm) REVERT: O 279 GLN cc_start: 0.7964 (OUTLIER) cc_final: 0.7693 (pt0) REVERT: O 289 LEU cc_start: 0.8289 (pp) cc_final: 0.8040 (pp) REVERT: O 290 THR cc_start: 0.8352 (m) cc_final: 0.7265 (p) REVERT: O 291 GLN cc_start: 0.7723 (pp30) cc_final: 0.7450 (pp30) REVERT: O 293 MET cc_start: 0.7728 (mtp) cc_final: 0.6957 (mtp) REVERT: O 300 MET cc_start: 0.6944 (mtt) cc_final: 0.6503 (mtm) REVERT: O 323 MET cc_start: 0.7700 (mmp) cc_final: 0.7455 (mmp) REVERT: O 325 GLU cc_start: 0.8217 (mt-10) cc_final: 0.7840 (mt-10) REVERT: O 327 ASP cc_start: 0.7853 (m-30) cc_final: 0.6780 (m-30) REVERT: O 329 GLN cc_start: 0.8260 (mm-40) cc_final: 0.7932 (mm-40) REVERT: O 330 MET cc_start: 0.7289 (ppp) cc_final: 0.6904 (ppp) REVERT: O 331 LEU cc_start: 0.7766 (tp) cc_final: 0.7456 (tp) REVERT: O 401 GLU cc_start: 0.7095 (mm-30) cc_final: 0.6875 (mm-30) REVERT: O 403 MET cc_start: 0.5065 (ttt) cc_final: 0.4851 (ttt) REVERT: O 404 ASP cc_start: 0.6703 (t0) cc_final: 0.6463 (t0) REVERT: O 410 GLU cc_start: 0.8069 (mt-10) cc_final: 0.7226 (pp20) REVERT: O 414 ASN cc_start: 0.8372 (m-40) cc_final: 0.7233 (m-40) REVERT: O 415 MET cc_start: 0.7943 (mmm) cc_final: 0.7100 (mmm) REVERT: O 422 TYR cc_start: 0.8081 (m-80) cc_final: 0.7863 (m-80) REVERT: X 12 MET cc_start: 0.4816 (mtm) cc_final: 0.4100 (mtm) REVERT: X 22 GLU cc_start: 0.6320 (mt-10) cc_final: 0.5908 (mt-10) REVERT: X 44 LYS cc_start: 0.6010 (ptpp) cc_final: 0.5804 (ptpp) REVERT: X 51 VAL cc_start: 0.7519 (t) cc_final: 0.6948 (t) REVERT: X 105 MET cc_start: 0.5668 (ptt) cc_final: 0.5360 (ptm) REVERT: X 180 MET cc_start: 0.6160 (mmt) cc_final: 0.5657 (mmt) REVERT: X 197 MET cc_start: 0.6007 (tpt) cc_final: 0.5083 (tpt) REVERT: X 250 GLU cc_start: 0.6690 (mm-30) cc_final: 0.6178 (mm-30) REVERT: X 252 LYS cc_start: 0.7635 (mttt) cc_final: 0.7270 (mttt) REVERT: X 258 LEU cc_start: 0.6722 (pp) cc_final: 0.5881 (mp) REVERT: X 313 LYS cc_start: 0.7220 (mtmt) cc_final: 0.6961 (mtmt) REVERT: G 16 ILE cc_start: 0.7784 (mt) cc_final: 0.7448 (mm) REVERT: G 70 ARG cc_start: 0.6473 (mtt90) cc_final: 0.6244 (mtt90) REVERT: G 89 TYR cc_start: 0.5866 (m-80) cc_final: 0.5349 (m-80) REVERT: G 97 GLN cc_start: 0.7111 (mt0) cc_final: 0.6717 (mt0) REVERT: G 118 LYS cc_start: 0.8400 (mmtt) cc_final: 0.7985 (mmtt) REVERT: G 174 GLU cc_start: 0.6557 (mp0) cc_final: 0.5634 (mp0) REVERT: G 175 PHE cc_start: 0.7405 (m-10) cc_final: 0.6751 (m-10) REVERT: G 192 ASN cc_start: 0.8106 (m-40) cc_final: 0.7359 (m-40) REVERT: G 209 MET cc_start: 0.7097 (mpp) cc_final: 0.6351 (mpp) REVERT: G 262 GLN cc_start: 0.7314 (OUTLIER) cc_final: 0.6707 (mp-120) REVERT: G 267 PRO cc_start: 0.7771 (Cg_endo) cc_final: 0.7317 (Cg_exo) REVERT: G 272 HIS cc_start: 0.6515 (p90) cc_final: 0.6237 (p90) REVERT: G 277 THR cc_start: 0.7439 (t) cc_final: 0.7126 (t) REVERT: G 308 MET cc_start: 0.7992 (mmm) cc_final: 0.7588 (mmm) REVERT: G 319 MET cc_start: 0.5542 (mmm) cc_final: 0.5014 (mmm) REVERT: G 329 VAL cc_start: 0.8313 (t) cc_final: 0.7751 (p) REVERT: G 338 ILE cc_start: 0.8767 (pt) cc_final: 0.8519 (pt) REVERT: G 342 LYS cc_start: 0.8588 (mtpp) cc_final: 0.7945 (mtpp) REVERT: G 344 LYS cc_start: 0.8600 (ttpt) cc_final: 0.8151 (ttpt) REVERT: G 348 GLN cc_start: 0.7273 (pp30) cc_final: 0.6881 (pp30) REVERT: G 358 LYS cc_start: 0.7153 (tmtt) cc_final: 0.6736 (tmtt) REVERT: G 361 ILE cc_start: 0.7263 (mp) cc_final: 0.6964 (mm) REVERT: G 362 ASN cc_start: 0.8112 (t0) cc_final: 0.7766 (t0) REVERT: G 378 GLN cc_start: 0.7729 (mm110) cc_final: 0.7343 (mm-40) REVERT: G 383 MET cc_start: 0.6999 (tpt) cc_final: 0.6565 (tpt) REVERT: G 401 PHE cc_start: 0.6824 (t80) cc_final: 0.6595 (t80) REVERT: G 407 LYS cc_start: 0.8290 (mmmt) cc_final: 0.7715 (mmmt) REVERT: G 408 ARG cc_start: 0.7859 (mmt-90) cc_final: 0.7464 (tpp-160) REVERT: G 423 GLU cc_start: 0.7841 (pm20) cc_final: 0.7475 (pm20) REVERT: G 440 GLU cc_start: 0.7459 (tt0) cc_final: 0.7191 (tt0) REVERT: P 15 GLN cc_start: 0.8619 (mm110) cc_final: 0.8391 (mm-40) REVERT: P 22 GLU cc_start: 0.7986 (mt-10) cc_final: 0.7454 (mt-10) REVERT: P 53 GLU cc_start: 0.6285 (tp30) cc_final: 0.5872 (tp30) REVERT: P 62 ARG cc_start: 0.8156 (ptp-110) cc_final: 0.6892 (ptp-110) REVERT: P 74 ASP cc_start: 0.7525 (m-30) cc_final: 0.7276 (m-30) REVERT: P 86 ARG cc_start: 0.7814 (ttm-80) cc_final: 0.7404 (mtp-110) REVERT: P 95 SER cc_start: 0.7746 (p) cc_final: 0.7522 (p) REVERT: P 103 LYS cc_start: 0.7914 (mttt) cc_final: 0.7196 (mtpp) REVERT: P 121 ARG cc_start: 0.7397 (mtt180) cc_final: 0.7124 (mtt90) REVERT: P 122 LYS cc_start: 0.7658 (ptmm) cc_final: 0.7453 (ptpt) REVERT: P 123 GLU cc_start: 0.7851 (mm-30) cc_final: 0.7362 (tp30) REVERT: P 133 PHE cc_start: 0.7067 (m-80) cc_final: 0.6549 (m-10) REVERT: P 147 MET cc_start: 0.5491 (tmm) cc_final: 0.5215 (tmm) REVERT: P 150 LEU cc_start: 0.7844 (tt) cc_final: 0.7617 (mm) REVERT: P 157 GLU cc_start: 0.8328 (pt0) cc_final: 0.7988 (pt0) REVERT: P 159 TYR cc_start: 0.8138 (m-80) cc_final: 0.7914 (m-80) REVERT: P 170 MET cc_start: 0.7141 (ptm) cc_final: 0.6898 (ttm) REVERT: P 179 VAL cc_start: 0.8153 (p) cc_final: 0.7936 (m) REVERT: P 196 THR cc_start: 0.6168 (p) cc_final: 0.5335 (t) REVERT: P 228 LEU cc_start: 0.8217 (mm) cc_final: 0.7535 (tp) REVERT: P 245 GLN cc_start: 0.7512 (mm-40) cc_final: 0.7206 (mm-40) REVERT: P 257 MET cc_start: 0.7060 (mmm) cc_final: 0.6388 (mmm) REVERT: P 264 HIS cc_start: 0.7440 (p-80) cc_final: 0.6522 (p-80) REVERT: P 266 PHE cc_start: 0.7709 (m-10) cc_final: 0.7505 (m-10) REVERT: P 270 PHE cc_start: 0.6827 (t80) cc_final: 0.6590 (t80) REVERT: P 276 ARG cc_start: 0.6781 (tpm170) cc_final: 0.6154 (tpm170) REVERT: P 280 GLN cc_start: 0.8092 (mt0) cc_final: 0.7752 (mp10) REVERT: P 293 MET cc_start: 0.7573 (mtp) cc_final: 0.6988 (mtp) REVERT: P 300 MET cc_start: 0.7250 (mtt) cc_final: 0.6730 (mtp) REVERT: P 309 ARG cc_start: 0.5646 (mtp85) cc_final: 0.5166 (mtp180) REVERT: P 323 MET cc_start: 0.7875 (mmp) cc_final: 0.7399 (mmp) REVERT: P 327 ASP cc_start: 0.7624 (m-30) cc_final: 0.7327 (m-30) REVERT: P 330 MET cc_start: 0.7859 (ppp) cc_final: 0.7493 (ppp) REVERT: P 335 ASN cc_start: 0.7133 (m110) cc_final: 0.6706 (m110) REVERT: P 340 TYR cc_start: 0.7051 (m-80) cc_final: 0.6704 (m-80) REVERT: P 345 ILE cc_start: 0.7984 (mm) cc_final: 0.7364 (mm) REVERT: P 353 VAL cc_start: 0.7959 (p) cc_final: 0.7706 (m) REVERT: P 362 LYS cc_start: 0.7242 (mmmt) cc_final: 0.6838 (mmmm) REVERT: P 388 MET cc_start: 0.7585 (mtp) cc_final: 0.6801 (mmt) REVERT: P 404 ASP cc_start: 0.7537 (m-30) cc_final: 0.7144 (t70) REVERT: P 422 TYR cc_start: 0.8436 (m-80) cc_final: 0.8220 (m-80) REVERT: Z 10 LYS cc_start: 0.4868 (tppp) cc_final: 0.4288 (mptt) REVERT: Z 58 GLN cc_start: 0.7688 (mp10) cc_final: 0.7443 (mp10) REVERT: Z 105 MET cc_start: 0.5175 (ptt) cc_final: 0.4947 (ptm) REVERT: Z 229 LEU cc_start: 0.5922 (mt) cc_final: 0.5667 (mt) REVERT: Z 282 MET cc_start: 0.7418 (tpt) cc_final: 0.6901 (tpt) REVERT: Z 286 LEU cc_start: 0.7290 (mm) cc_final: 0.6722 (mm) REVERT: Z 313 LYS cc_start: 0.8369 (mtmt) cc_final: 0.8120 (mtmt) REVERT: Z 320 GLN cc_start: 0.6523 (mt0) cc_final: 0.6276 (mm-40) REVERT: H 11 GLN cc_start: 0.6175 (tp-100) cc_final: 0.5728 (tp40) REVERT: H 24 TYR cc_start: 0.7419 (m-80) cc_final: 0.7188 (m-80) REVERT: H 70 ARG cc_start: 0.6977 (mtt90) cc_final: 0.6406 (mtt90) REVERT: H 77 GLU cc_start: 0.6600 (pt0) cc_final: 0.6123 (pt0) REVERT: H 81 ILE cc_start: 0.6673 (mm) cc_final: 0.6283 (mm) REVERT: H 90 ARG cc_start: 0.6777 (mtm-85) cc_final: 0.6390 (mtm-85) REVERT: H 96 GLU cc_start: 0.7120 (tt0) cc_final: 0.6833 (pt0) REVERT: H 120 ILE cc_start: 0.8485 (tp) cc_final: 0.8284 (tp) REVERT: H 121 ILE cc_start: 0.8802 (pt) cc_final: 0.8578 (mt) REVERT: H 155 PHE cc_start: 0.8113 (t80) cc_final: 0.7266 (t80) REVERT: H 156 THR cc_start: 0.8284 (p) cc_final: 0.7676 (p) REVERT: H 172 LYS cc_start: 0.7557 (mtmm) cc_final: 0.7257 (mtmm) REVERT: H 174 GLU cc_start: 0.6389 (mp0) cc_final: 0.5706 (mp0) REVERT: H 187 VAL cc_start: 0.7844 (m) cc_final: 0.7575 (m) REVERT: H 195 LEU cc_start: 0.8178 (mt) cc_final: 0.7892 (tp) REVERT: H 225 ILE cc_start: 0.6074 (tp) cc_final: 0.5804 (tp) REVERT: H 265 LEU cc_start: 0.7538 (mp) cc_final: 0.7222 (mm) REVERT: H 293 THR cc_start: 0.7703 (t) cc_final: 0.7263 (p) REVERT: H 310 LYS cc_start: 0.7576 (mtpt) cc_final: 0.7114 (mtpt) REVERT: H 312 ASP cc_start: 0.7644 (t0) cc_final: 0.7355 (t70) REVERT: H 358 LYS cc_start: 0.7363 (tptt) cc_final: 0.6350 (mmtt) REVERT: H 378 GLN cc_start: 0.7162 (mp10) cc_final: 0.6868 (mp10) REVERT: H 382 CYS cc_start: 0.7816 (t) cc_final: 0.7563 (t) REVERT: H 384 LEU cc_start: 0.7295 (mm) cc_final: 0.7003 (mm) REVERT: H 396 ARG cc_start: 0.7827 (tmm160) cc_final: 0.7599 (ptt90) REVERT: H 404 MET cc_start: 0.7403 (mpp) cc_final: 0.7070 (mpp) REVERT: H 439 GLU cc_start: 0.7325 (pt0) cc_final: 0.6930 (pt0) REVERT: R 15 GLN cc_start: 0.8491 (mm110) cc_final: 0.8188 (mm-40) REVERT: R 20 PHE cc_start: 0.8466 (t80) cc_final: 0.7893 (t80) REVERT: R 22 GLU cc_start: 0.7850 (mt-10) cc_final: 0.6998 (tp30) REVERT: R 24 ILE cc_start: 0.8276 (pt) cc_final: 0.8062 (pt) REVERT: R 47 ILE cc_start: 0.7832 (tt) cc_final: 0.7623 (tt) REVERT: R 94 GLN cc_start: 0.7194 (tm-30) cc_final: 0.6850 (tm-30) REVERT: R 103 LYS cc_start: 0.7745 (mmmm) cc_final: 0.7536 (mmmm) REVERT: R 106 TYR cc_start: 0.7972 (m-10) cc_final: 0.7202 (m-10) REVERT: R 122 LYS cc_start: 0.8024 (ptmm) cc_final: 0.7809 (ptpt) REVERT: R 129 CYS cc_start: 0.8044 (t) cc_final: 0.7633 (t) REVERT: R 131 GLN cc_start: 0.6353 (tp-100) cc_final: 0.5961 (tp-100) REVERT: R 147 MET cc_start: 0.6354 (tmm) cc_final: 0.5952 (tmm) REVERT: R 164 MET cc_start: 0.7829 (mmm) cc_final: 0.7588 (mmm) REVERT: R 184 ASN cc_start: 0.7547 (m-40) cc_final: 0.7110 (m-40) REVERT: R 205 GLU cc_start: 0.7724 (pt0) cc_final: 0.7381 (pt0) REVERT: R 227 HIS cc_start: 0.7607 (t-90) cc_final: 0.7173 (t-90) REVERT: R 232 THR cc_start: 0.8436 (p) cc_final: 0.8149 (t) REVERT: R 233 MET cc_start: 0.7747 (mtp) cc_final: 0.7115 (mmt) REVERT: R 251 ARG cc_start: 0.8373 (ttm-80) cc_final: 0.7678 (mmm-85) REVERT: R 253 LEU cc_start: 0.8513 (mp) cc_final: 0.8204 (mm) REVERT: R 273 LEU cc_start: 0.8164 (mt) cc_final: 0.7787 (mm) REVERT: R 292 GLN cc_start: 0.8074 (tt0) cc_final: 0.7214 (tm-30) REVERT: R 295 ASP cc_start: 0.8109 (t70) cc_final: 0.7753 (t70) REVERT: R 298 ASN cc_start: 0.6854 (t0) cc_final: 0.5939 (t0) REVERT: R 300 MET cc_start: 0.7246 (mtt) cc_final: 0.6925 (mtm) REVERT: R 309 ARG cc_start: 0.6757 (ptp-110) cc_final: 0.6411 (ptp-110) REVERT: R 320 ARG cc_start: 0.7243 (mmt90) cc_final: 0.6868 (mmt90) REVERT: R 330 MET cc_start: 0.7672 (ppp) cc_final: 0.7196 (ppp) REVERT: R 353 VAL cc_start: 0.8244 (p) cc_final: 0.7470 (m) REVERT: R 367 PHE cc_start: 0.7792 (t80) cc_final: 0.7385 (t80) REVERT: R 379 LYS cc_start: 0.8571 (ptpp) cc_final: 0.8174 (pttp) REVERT: R 384 GLN cc_start: 0.8122 (mt0) cc_final: 0.7730 (mt0) REVERT: R 385 PHE cc_start: 0.7630 (t80) cc_final: 0.7019 (t80) REVERT: R 388 MET cc_start: 0.7731 (mtp) cc_final: 0.7042 (mtp) REVERT: R 403 MET cc_start: 0.6141 (ttt) cc_final: 0.5479 (ttt) REVERT: R 406 MET cc_start: 0.8348 (mpp) cc_final: 0.8046 (mpp) REVERT: R 407 GLU cc_start: 0.7944 (mt-10) cc_final: 0.7450 (mt-10) REVERT: R 415 MET cc_start: 0.7984 (mmm) cc_final: 0.7278 (mmm) REVERT: R 422 TYR cc_start: 0.8438 (m-80) cc_final: 0.8162 (m-80) REVERT: R 423 GLN cc_start: 0.8172 (tp40) cc_final: 0.7791 (tp40) REVERT: a 12 MET cc_start: 0.4674 (mtt) cc_final: 0.4311 (mtt) REVERT: a 95 MET cc_start: 0.5841 (mpp) cc_final: 0.5579 (mpp) REVERT: a 105 MET cc_start: 0.4722 (ptt) cc_final: 0.4426 (ppp) REVERT: a 171 ARG cc_start: 0.5446 (mtt180) cc_final: 0.5215 (mtt180) REVERT: a 228 TYR cc_start: 0.6377 (m-10) cc_final: 0.5524 (m-10) outliers start: 32 outliers final: 8 residues processed: 3249 average time/residue: 0.8565 time to fit residues: 4718.7168 Evaluate side-chains 3067 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 17 poor density : 3050 time to evaluate : 7.334 ------------------------------------------------------------------------------- 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: 2.9990 chunk 789 optimal weight: 0.8980 chunk 645 optimal weight: 0.9990 chunk 261 optimal weight: 2.9990 chunk 949 optimal weight: 1.9990 chunk 1026 optimal weight: 8.9990 chunk 845 optimal weight: 0.4980 chunk 941 optimal weight: 0.9990 chunk 323 optimal weight: 6.9990 chunk 761 optimal weight: 0.8980 overall best weight: 0.8584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 28 HIS I 107 ASN I 264 ASN I 412 HIS ** Q 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 298 ASN Y 93 HIS ** Y 287 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 67 HIS ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 195 ASN ** J 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 424 GLN S 63 ASN S 160 ASN B 11 GLN ** B 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 113 HIS B 289 HIS K 48 ASN K 165 ASN K 335 ASN T 63 ASN T 160 ASN T 263 ASN ** C 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 289 HIS C 315 HIS L 131 GLN ** U 125 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 255 ASN D 264 ASN D 289 HIS D 315 HIS ** M 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 48 ASN M 247 ASN M 292 GLN V 196 ASN V 320 GLN E 11 GLN E 203 HIS ** N 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 105 HIS ** N 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 424 GLN W 160 ASN F 113 HIS F 139 GLN ** F 239 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 262 GLN F 348 GLN O 48 ASN O 195 ASN O 348 ASN ** P 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 134 GLN P 292 GLN P 307 HIS P 329 GLN P 416 ASN Z 63 ASN Z 160 ASN ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 255 ASN H 412 HIS R 14 ASN R 37 HIS R 131 GLN R 190 HIS ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 307 HIS R 329 GLN R 375 GLN a 255 ASN Total number of N/Q/H flips: 61 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6421 moved from start: 0.3643 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.071 85860 Z= 0.147 Angle : 0.544 8.645 116442 Z= 0.270 Chirality : 0.043 0.191 12825 Planarity : 0.003 0.061 15075 Dihedral : 9.115 149.514 12231 Min Nonbonded Distance : 2.107 Molprobity Statistics. All-atom Clashscore : 9.75 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.03 % Favored : 97.97 % Rotamer: Outliers : 0.11 % Allowed : 2.69 % Favored : 97.20 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.58 (0.08), residues: 4203 sheet: -1.28 (0.12), residues: 1683 loop : -1.18 (0.09), residues: 4644 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.026 0.002 TRP H 394 HIS 0.007 0.001 HIS G 289 PHE 0.025 0.001 PHE G 147 TYR 0.018 0.001 TYR G 24 ARG 0.010 0.000 ARG J 390 *********************** 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 3177 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 10 poor density : 3167 time to evaluate : 6.857 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: I 3 GLU cc_start: 0.4918 (mp0) cc_final: 0.4587 (mp0) REVERT: I 22 GLU cc_start: 0.7866 (pt0) cc_final: 0.7458 (pt0) REVERT: I 24 TYR cc_start: 0.8136 (m-80) cc_final: 0.7384 (m-80) REVERT: I 70 ARG cc_start: 0.7589 (mtt-85) cc_final: 0.7290 (mtt90) REVERT: I 74 VAL cc_start: 0.7473 (m) cc_final: 0.7151 (p) REVERT: I 89 TYR cc_start: 0.5975 (m-80) cc_final: 0.5152 (m-80) REVERT: I 91 GLN cc_start: 0.7577 (mp10) cc_final: 0.6804 (mp10) REVERT: I 107 ASN cc_start: 0.6322 (m110) cc_final: 0.5856 (m110) REVERT: I 116 ILE cc_start: 0.7494 (mm) cc_final: 0.7244 (mm) REVERT: I 121 ILE cc_start: 0.8617 (pt) cc_final: 0.8007 (mm) REVERT: I 144 PHE cc_start: 0.7682 (m-80) cc_final: 0.6604 (m-80) REVERT: I 158 LEU cc_start: 0.8340 (tp) cc_final: 0.8084 (tp) REVERT: I 174 GLU cc_start: 0.6917 (mp0) cc_final: 0.5708 (mp0) REVERT: I 192 ASN cc_start: 0.8309 (m-40) cc_final: 0.7594 (m-40) REVERT: I 194 ILE cc_start: 0.8281 (tt) cc_final: 0.8048 (tt) REVERT: I 196 THR cc_start: 0.8427 (t) cc_final: 0.7737 (m) REVERT: I 217 ASP cc_start: 0.7435 (t0) cc_final: 0.7103 (t0) REVERT: I 235 ARG cc_start: 0.7048 (mtt-85) cc_final: 0.6844 (tpp80) REVERT: I 255 ASN cc_start: 0.6862 (m110) cc_final: 0.6555 (m-40) REVERT: I 265 LEU cc_start: 0.7821 (mp) cc_final: 0.7443 (mm) REVERT: I 270 ARG cc_start: 0.6568 (ttt180) cc_final: 0.6307 (ttt-90) REVERT: I 306 ASN cc_start: 0.8021 (t0) cc_final: 0.7424 (t0) REVERT: I 310 LYS cc_start: 0.7792 (mtpt) cc_final: 0.7316 (mtpt) REVERT: I 340 THR cc_start: 0.8269 (p) cc_final: 0.7996 (m) REVERT: I 344 LYS cc_start: 0.8250 (ttpt) cc_final: 0.7877 (ttpt) REVERT: I 358 LYS cc_start: 0.7212 (tptt) cc_final: 0.6414 (tppt) REVERT: I 362 ASN cc_start: 0.8133 (t0) cc_final: 0.7767 (t0) REVERT: I 376 LYS cc_start: 0.7999 (tmtt) cc_final: 0.7476 (tmtt) REVERT: I 378 GLN cc_start: 0.6995 (mp10) cc_final: 0.6404 (mm-40) REVERT: I 383 MET cc_start: 0.7087 (tpt) cc_final: 0.6267 (tpt) REVERT: I 401 PHE cc_start: 0.7536 (t80) cc_final: 0.6966 (t80) REVERT: I 408 ARG cc_start: 0.8109 (mmt-90) cc_final: 0.7730 (mpt180) REVERT: I 410 PHE cc_start: 0.8732 (m-80) cc_final: 0.8389 (m-10) REVERT: I 419 MET cc_start: 0.4943 (mmp) cc_final: 0.4239 (mmp) REVERT: I 440 GLU cc_start: 0.8090 (tt0) cc_final: 0.7751 (tt0) REVERT: Q 14 ASN cc_start: 0.8440 (m-40) cc_final: 0.8064 (m-40) REVERT: Q 58 LYS cc_start: 0.7860 (tttt) cc_final: 0.7301 (tttt) REVERT: Q 73 MET cc_start: 0.8386 (mmt) cc_final: 0.7830 (mmt) REVERT: Q 103 LYS cc_start: 0.7433 (mttt) cc_final: 0.6645 (mmmm) REVERT: Q 113 VAL cc_start: 0.8469 (p) cc_final: 0.8044 (t) REVERT: Q 122 LYS cc_start: 0.7822 (ptmm) cc_final: 0.7504 (ptmm) REVERT: Q 128 ASP cc_start: 0.7728 (t0) cc_final: 0.7524 (t0) REVERT: Q 131 GLN cc_start: 0.6619 (tm-30) cc_final: 0.6293 (tm-30) REVERT: Q 133 PHE cc_start: 0.7127 (m-10) cc_final: 0.6695 (m-10) REVERT: Q 134 GLN cc_start: 0.7431 (tt0) cc_final: 0.7103 (tt0) REVERT: Q 147 MET cc_start: 0.5793 (tmm) cc_final: 0.5307 (tmm) REVERT: Q 165 ASN cc_start: 0.7502 (m-40) cc_final: 0.7286 (m-40) REVERT: Q 204 ASN cc_start: 0.8471 (m-40) cc_final: 0.8202 (m-40) REVERT: Q 205 GLU cc_start: 0.7764 (tp30) cc_final: 0.7232 (tp30) REVERT: Q 227 HIS cc_start: 0.7785 (t70) cc_final: 0.7425 (t70) REVERT: Q 240 LEU cc_start: 0.7854 (pp) cc_final: 0.7537 (pp) REVERT: Q 257 MET cc_start: 0.6804 (mmm) cc_final: 0.6598 (mmm) REVERT: Q 264 HIS cc_start: 0.7529 (p-80) cc_final: 0.7296 (p-80) REVERT: Q 276 ARG cc_start: 0.6884 (tpm170) cc_final: 0.6009 (tpm170) REVERT: Q 280 GLN cc_start: 0.8025 (mp-120) cc_final: 0.7416 (mp10) REVERT: Q 290 THR cc_start: 0.8251 (m) cc_final: 0.7648 (t) REVERT: Q 292 GLN cc_start: 0.7827 (tt0) cc_final: 0.7438 (tt0) REVERT: Q 293 MET cc_start: 0.7572 (mtp) cc_final: 0.6749 (mtp) REVERT: Q 297 LYS cc_start: 0.8058 (ttmt) cc_final: 0.7656 (ttmt) REVERT: Q 321 MET cc_start: 0.7462 (ptp) cc_final: 0.6741 (ptp) REVERT: Q 332 ASN cc_start: 0.6966 (p0) cc_final: 0.6577 (p0) REVERT: Q 335 ASN cc_start: 0.7142 (m110) cc_final: 0.6662 (m110) REVERT: Q 337 ASN cc_start: 0.7589 (m110) cc_final: 0.6944 (m-40) REVERT: Q 340 TYR cc_start: 0.7133 (m-80) cc_final: 0.6876 (m-80) REVERT: Q 383 GLU cc_start: 0.7518 (pp20) cc_final: 0.7180 (pp20) REVERT: Q 384 GLN cc_start: 0.8218 (mt0) cc_final: 0.7925 (mt0) REVERT: Q 385 PHE cc_start: 0.7688 (t80) cc_final: 0.7251 (t80) REVERT: Q 388 MET cc_start: 0.7693 (mtp) cc_final: 0.7457 (mtp) REVERT: Q 390 ARG cc_start: 0.7587 (ptt90) cc_final: 0.7125 (ptt90) REVERT: Q 392 LYS cc_start: 0.8008 (mtmm) cc_final: 0.7558 (mtmm) REVERT: Q 397 TRP cc_start: 0.7891 (m100) cc_final: 0.7620 (m100) REVERT: Q 421 GLU cc_start: 0.7749 (tt0) cc_final: 0.7183 (tt0) REVERT: Y 8 ASN cc_start: 0.5296 (m110) cc_final: 0.5016 (m110) REVERT: Y 59 GLU cc_start: 0.7424 (tp30) cc_final: 0.7117 (tp30) REVERT: Y 92 THR cc_start: 0.6697 (p) cc_final: 0.6128 (p) REVERT: Y 98 LYS cc_start: 0.6963 (pttt) cc_final: 0.6690 (pttt) REVERT: Y 122 MET cc_start: 0.5881 (pmm) cc_final: 0.5598 (pmm) REVERT: Y 256 LYS cc_start: 0.7723 (mmmt) cc_final: 0.6754 (mmmt) REVERT: Y 282 MET cc_start: 0.7783 (tpt) cc_final: 0.7266 (tpt) REVERT: Y 311 GLU cc_start: 0.7222 (pp20) cc_final: 0.6900 (pp20) REVERT: Y 313 LYS cc_start: 0.8510 (mtmt) cc_final: 0.8273 (mtmt) REVERT: Y 316 LEU cc_start: 0.7389 (mt) cc_final: 0.7055 (mt) REVERT: Y 320 GLN cc_start: 0.7361 (mt0) cc_final: 0.7089 (mm-40) REVERT: A 16 ILE cc_start: 0.8104 (mt) cc_final: 0.7858 (mm) REVERT: A 22 GLU cc_start: 0.7900 (pt0) cc_final: 0.7617 (pt0) REVERT: A 31 GLN cc_start: 0.7169 (tm-30) cc_final: 0.6764 (tm-30) REVERT: A 36 MET cc_start: 0.7605 (ttp) cc_final: 0.7350 (ttm) REVERT: A 77 GLU cc_start: 0.6706 (pt0) cc_final: 0.6283 (pt0) REVERT: A 81 ILE cc_start: 0.7394 (mm) cc_final: 0.7180 (mm) REVERT: A 91 GLN cc_start: 0.7422 (mp10) cc_final: 0.6949 (mp10) REVERT: A 93 PHE cc_start: 0.7177 (m-80) cc_final: 0.6431 (m-80) REVERT: A 107 ASN cc_start: 0.6770 (m-40) cc_final: 0.6523 (m110) REVERT: A 120 ILE cc_start: 0.8750 (tp) cc_final: 0.8435 (tp) REVERT: A 121 ILE cc_start: 0.8722 (pt) cc_final: 0.8395 (mm) REVERT: A 142 LEU cc_start: 0.7719 (pt) cc_final: 0.7185 (pt) REVERT: A 144 PHE cc_start: 0.7239 (m-80) cc_final: 0.6920 (m-80) REVERT: A 155 PHE cc_start: 0.8101 (t80) cc_final: 0.7587 (t80) REVERT: A 172 LYS cc_start: 0.7411 (mtmm) cc_final: 0.7118 (mtmm) REVERT: A 174 GLU cc_start: 0.6470 (mp0) cc_final: 0.5794 (mp0) REVERT: A 175 PHE cc_start: 0.7543 (m-80) cc_final: 0.7290 (m-80) REVERT: A 193 SER cc_start: 0.8304 (t) cc_final: 0.7957 (t) REVERT: A 195 LEU cc_start: 0.8210 (mt) cc_final: 0.7915 (mt) REVERT: A 217 ASP cc_start: 0.7739 (t0) cc_final: 0.7199 (t0) REVERT: A 220 ARG cc_start: 0.6850 (tpt-90) cc_final: 0.6498 (tpp80) REVERT: A 225 ILE cc_start: 0.6474 (mm) cc_final: 0.5839 (tp) REVERT: A 241 VAL cc_start: 0.8093 (t) cc_final: 0.7773 (p) REVERT: A 259 THR cc_start: 0.8267 (p) cc_final: 0.7977 (p) REVERT: A 306 ASN cc_start: 0.7244 (t0) cc_final: 0.6535 (t0) REVERT: A 312 ASP cc_start: 0.7170 (t0) cc_final: 0.6792 (t70) REVERT: A 318 TYR cc_start: 0.6421 (m-10) cc_final: 0.6060 (m-10) REVERT: A 319 MET cc_start: 0.5933 (mmm) cc_final: 0.5440 (mmm) REVERT: A 348 GLN cc_start: 0.6176 (mp-120) cc_final: 0.5910 (mp-120) REVERT: A 351 ASP cc_start: 0.7914 (p0) cc_final: 0.7565 (p0) REVERT: A 379 ARG cc_start: 0.8024 (mtm-85) cc_final: 0.7735 (mtm110) REVERT: A 384 LEU cc_start: 0.7548 (mm) cc_final: 0.7084 (mm) REVERT: A 385 SER cc_start: 0.7779 (m) cc_final: 0.7396 (p) REVERT: A 401 PHE cc_start: 0.8106 (t80) cc_final: 0.7684 (t80) REVERT: A 426 GLU cc_start: 0.7594 (tp30) cc_final: 0.6667 (tp30) REVERT: A 439 GLU cc_start: 0.7798 (pt0) cc_final: 0.7338 (pt0) REVERT: A 440 GLU cc_start: 0.8038 (tt0) cc_final: 0.7797 (tt0) REVERT: J 20 PHE cc_start: 0.8379 (t80) cc_final: 0.8070 (t80) REVERT: J 22 GLU cc_start: 0.8752 (mt-10) cc_final: 0.8205 (mt-10) REVERT: J 24 ILE cc_start: 0.8600 (pt) cc_final: 0.8396 (pt) REVERT: J 46 ARG cc_start: 0.7414 (mmt180) cc_final: 0.6889 (tpp80) REVERT: J 58 LYS cc_start: 0.7307 (tttt) cc_final: 0.7061 (tttt) REVERT: J 73 MET cc_start: 0.8472 (mmt) cc_final: 0.7548 (mmt) REVERT: J 106 TYR cc_start: 0.8044 (m-80) cc_final: 0.6581 (m-10) REVERT: J 122 LYS cc_start: 0.8270 (ptmm) cc_final: 0.7932 (ptpt) REVERT: J 123 GLU cc_start: 0.8218 (mm-30) cc_final: 0.7663 (mm-30) REVERT: J 126 SER cc_start: 0.8157 (p) cc_final: 0.7888 (p) REVERT: J 147 MET cc_start: 0.6101 (tmm) cc_final: 0.5664 (tmm) REVERT: J 157 GLU cc_start: 0.8021 (pt0) cc_final: 0.7566 (pt0) REVERT: J 191 GLN cc_start: 0.8224 (mp10) cc_final: 0.7399 (mp10) REVERT: J 208 TYR cc_start: 0.7715 (m-80) cc_final: 0.7439 (m-80) REVERT: J 233 MET cc_start: 0.8022 (mtp) cc_final: 0.7785 (mtp) REVERT: J 238 THR cc_start: 0.7363 (p) cc_final: 0.7147 (p) REVERT: J 253 LEU cc_start: 0.8513 (mp) cc_final: 0.8113 (mm) REVERT: J 257 MET cc_start: 0.6720 (mmm) cc_final: 0.6333 (mmm) REVERT: J 265 PHE cc_start: 0.8380 (m-80) cc_final: 0.7788 (m-80) REVERT: J 266 PHE cc_start: 0.7555 (m-10) cc_final: 0.7189 (m-10) REVERT: J 270 PHE cc_start: 0.7035 (t80) cc_final: 0.6681 (t80) REVERT: J 273 LEU cc_start: 0.8234 (mt) cc_final: 0.7586 (mt) REVERT: J 280 GLN cc_start: 0.8015 (mp10) cc_final: 0.7698 (mp10) REVERT: J 281 TYR cc_start: 0.6933 (m-80) cc_final: 0.6699 (m-80) REVERT: J 290 THR cc_start: 0.8425 (m) cc_final: 0.8171 (p) REVERT: J 292 GLN cc_start: 0.7449 (tt0) cc_final: 0.6811 (tm-30) REVERT: J 295 ASP cc_start: 0.7751 (t70) cc_final: 0.7340 (t0) REVERT: J 300 MET cc_start: 0.7499 (mtm) cc_final: 0.6491 (mpp) REVERT: J 309 ARG cc_start: 0.6368 (ptp-110) cc_final: 0.5786 (ptm160) REVERT: J 326 VAL cc_start: 0.8692 (t) cc_final: 0.8408 (t) REVERT: J 327 ASP cc_start: 0.7368 (m-30) cc_final: 0.6839 (m-30) REVERT: J 330 MET cc_start: 0.7443 (ppp) cc_final: 0.7079 (ppp) REVERT: J 375 GLN cc_start: 0.8283 (pp30) cc_final: 0.7747 (tm-30) REVERT: J 388 MET cc_start: 0.7837 (mtp) cc_final: 0.7472 (mtp) REVERT: J 389 PHE cc_start: 0.7964 (t80) cc_final: 0.7720 (t80) REVERT: J 395 LEU cc_start: 0.8282 (mt) cc_final: 0.8008 (mt) REVERT: J 407 GLU cc_start: 0.7935 (mt-10) cc_final: 0.6433 (mt-10) REVERT: S 19 ASN cc_start: 0.6534 (m110) cc_final: 0.6109 (m110) REVERT: S 49 ASP cc_start: 0.5545 (m-30) cc_final: 0.5282 (m-30) REVERT: S 56 THR cc_start: 0.5807 (m) cc_final: 0.5505 (p) REVERT: S 177 ASP cc_start: 0.7545 (t0) cc_final: 0.7337 (t0) REVERT: S 211 ASN cc_start: 0.6641 (t0) cc_final: 0.6169 (t0) REVERT: S 228 TYR cc_start: 0.6526 (m-10) cc_final: 0.5903 (m-10) REVERT: S 249 ASP cc_start: 0.6677 (m-30) cc_final: 0.6340 (m-30) REVERT: S 256 LYS cc_start: 0.8363 (mmmt) cc_final: 0.7938 (mmmt) REVERT: B 3 GLU cc_start: 0.5612 (mp0) cc_final: 0.5200 (mp0) REVERT: B 15 GLN cc_start: 0.8017 (tt0) cc_final: 0.7775 (tp40) REVERT: B 31 GLN cc_start: 0.8085 (mt0) cc_final: 0.7827 (tt0) REVERT: B 108 ASN cc_start: 0.6882 (t0) cc_final: 0.6504 (t0) REVERT: B 114 TYR cc_start: 0.8030 (m-80) cc_final: 0.7063 (m-80) REVERT: B 119 GLU cc_start: 0.7681 (pp20) cc_final: 0.7119 (pp20) REVERT: B 127 ARG cc_start: 0.8261 (mmm160) cc_final: 0.8035 (mmm160) REVERT: B 142 LEU cc_start: 0.7379 (pt) cc_final: 0.7055 (pp) REVERT: B 169 LYS cc_start: 0.7791 (ptmm) cc_final: 0.7402 (ptmm) REVERT: B 193 SER cc_start: 0.8426 (m) cc_final: 0.8212 (p) REVERT: B 220 ARG cc_start: 0.7129 (tmm-80) cc_final: 0.6381 (tmm-80) REVERT: B 222 ASN cc_start: 0.7764 (m110) cc_final: 0.7537 (m110) REVERT: B 235 ARG cc_start: 0.7475 (mtt-85) cc_final: 0.7022 (ttm110) REVERT: B 239 GLN cc_start: 0.7713 (tp-100) cc_final: 0.7346 (tp-100) REVERT: B 308 MET cc_start: 0.7700 (mmt) cc_final: 0.7487 (mmt) REVERT: B 310 LYS cc_start: 0.7954 (mtpt) cc_final: 0.7435 (mtpt) REVERT: B 319 MET cc_start: 0.6736 (mmm) cc_final: 0.6346 (mmm) REVERT: B 325 TYR cc_start: 0.7673 (m-10) cc_final: 0.7460 (m-10) REVERT: B 338 ILE cc_start: 0.8566 (pt) cc_final: 0.8350 (pt) REVERT: B 341 ILE cc_start: 0.8962 (mm) cc_final: 0.8723 (mm) REVERT: B 344 LYS cc_start: 0.8315 (ttpt) cc_final: 0.7801 (ttpt) REVERT: B 350 VAL cc_start: 0.7542 (p) cc_final: 0.7106 (p) REVERT: B 351 ASP cc_start: 0.7205 (p0) cc_final: 0.5974 (p0) REVERT: B 352 TRP cc_start: 0.5822 (m-90) cc_final: 0.4343 (m-90) REVERT: B 376 LYS cc_start: 0.7546 (tmtt) cc_final: 0.7251 (tmtt) REVERT: B 379 ARG cc_start: 0.7877 (ptp90) cc_final: 0.7535 (ptp90) REVERT: B 401 PHE cc_start: 0.7320 (t80) cc_final: 0.6660 (t80) REVERT: B 407 LYS cc_start: 0.8626 (mmmt) cc_final: 0.8365 (mmmt) REVERT: B 408 ARG cc_start: 0.7425 (mpt180) cc_final: 0.7126 (mpt180) REVERT: B 410 PHE cc_start: 0.8356 (m-80) cc_final: 0.7909 (m-80) REVERT: B 417 GLU cc_start: 0.6245 (tm-30) cc_final: 0.5947 (tm-30) REVERT: B 426 GLU cc_start: 0.7012 (tp30) cc_final: 0.6428 (tp30) REVERT: B 430 ASP cc_start: 0.7724 (t0) cc_final: 0.7439 (t0) REVERT: K 3 GLU cc_start: 0.6713 (mp0) cc_final: 0.5586 (mp0) REVERT: K 4 ILE cc_start: 0.8274 (mp) cc_final: 0.8032 (mp) REVERT: K 20 PHE cc_start: 0.8340 (t80) cc_final: 0.8119 (t80) REVERT: K 22 GLU cc_start: 0.8397 (mt-10) cc_final: 0.8043 (mt-10) REVERT: K 31 ASP cc_start: 0.6632 (t0) cc_final: 0.6304 (t0) REVERT: K 45 GLU cc_start: 0.8403 (pp20) cc_final: 0.7858 (tm-30) REVERT: K 47 ILE cc_start: 0.8212 (tt) cc_final: 0.7836 (tt) REVERT: K 58 LYS cc_start: 0.7794 (mmmm) cc_final: 0.7429 (mmmm) REVERT: K 59 TYR cc_start: 0.6855 (m-80) cc_final: 0.6557 (m-80) REVERT: K 73 MET cc_start: 0.8615 (mmt) cc_final: 0.7361 (mmt) REVERT: K 74 ASP cc_start: 0.7339 (m-30) cc_final: 0.7091 (m-30) REVERT: K 123 GLU cc_start: 0.8515 (mm-30) cc_final: 0.8299 (mm-30) REVERT: K 130 LEU cc_start: 0.7541 (tp) cc_final: 0.7330 (tp) REVERT: K 131 GLN cc_start: 0.6534 (tp-100) cc_final: 0.6032 (tp-100) REVERT: K 152 ILE cc_start: 0.8329 (mm) cc_final: 0.8067 (mm) REVERT: K 153 SER cc_start: 0.7856 (p) cc_final: 0.7380 (t) REVERT: K 164 MET cc_start: 0.7433 (tpt) cc_final: 0.7117 (mmm) REVERT: K 181 GLU cc_start: 0.7438 (pt0) cc_final: 0.7209 (pt0) REVERT: K 192 LEU cc_start: 0.8836 (mm) cc_final: 0.8588 (mt) REVERT: K 194 GLU cc_start: 0.7461 (pt0) cc_final: 0.7040 (pt0) REVERT: K 213 ARG cc_start: 0.5756 (mtm180) cc_final: 0.5555 (mtm-85) REVERT: K 232 THR cc_start: 0.8476 (p) cc_final: 0.7735 (m) REVERT: K 233 MET cc_start: 0.8266 (mtm) cc_final: 0.7900 (mtm) REVERT: K 240 LEU cc_start: 0.8150 (pt) cc_final: 0.7232 (mp) REVERT: K 241 ARG cc_start: 0.7689 (mtm-85) cc_final: 0.7027 (mtm-85) REVERT: K 257 MET cc_start: 0.7726 (mmm) cc_final: 0.7152 (mmm) REVERT: K 263 LEU cc_start: 0.8411 (mt) cc_final: 0.8117 (mt) REVERT: K 264 HIS cc_start: 0.7160 (p-80) cc_final: 0.6746 (p90) REVERT: K 265 PHE cc_start: 0.7890 (m-80) cc_final: 0.7519 (m-80) REVERT: K 266 PHE cc_start: 0.7507 (m-80) cc_final: 0.7303 (m-80) REVERT: K 273 LEU cc_start: 0.7936 (mt) cc_final: 0.7410 (pt) REVERT: K 280 GLN cc_start: 0.7867 (mp10) cc_final: 0.7632 (mp10) REVERT: K 289 LEU cc_start: 0.7813 (pp) cc_final: 0.7393 (pp) REVERT: K 290 THR cc_start: 0.7639 (m) cc_final: 0.6896 (m) REVERT: K 293 MET cc_start: 0.7456 (mtp) cc_final: 0.6594 (mtp) REVERT: K 297 LYS cc_start: 0.7981 (ttmt) cc_final: 0.7363 (ttmt) REVERT: K 300 MET cc_start: 0.7458 (mtm) cc_final: 0.6773 (mtm) REVERT: K 317 PHE cc_start: 0.8304 (m-80) cc_final: 0.7922 (m-10) REVERT: K 321 MET cc_start: 0.7503 (pmm) cc_final: 0.6935 (pmm) REVERT: K 323 MET cc_start: 0.7457 (mmp) cc_final: 0.7111 (mmp) REVERT: K 324 LYS cc_start: 0.7967 (ttpt) cc_final: 0.7744 (ttpp) REVERT: K 325 GLU cc_start: 0.8317 (mt-10) cc_final: 0.7883 (mt-10) REVERT: K 327 ASP cc_start: 0.7200 (m-30) cc_final: 0.6217 (m-30) REVERT: K 330 MET cc_start: 0.6518 (ppp) cc_final: 0.6076 (ppp) REVERT: K 375 GLN cc_start: 0.8612 (pt0) cc_final: 0.7994 (pt0) REVERT: K 379 LYS cc_start: 0.8480 (ptpt) cc_final: 0.8088 (ptpt) REVERT: K 380 ARG cc_start: 0.8160 (ptm-80) cc_final: 0.7684 (ptm-80) REVERT: K 384 GLN cc_start: 0.8153 (mt0) cc_final: 0.7952 (mm-40) REVERT: K 386 THR cc_start: 0.8771 (m) cc_final: 0.8517 (p) REVERT: K 401 GLU cc_start: 0.7064 (mm-30) cc_final: 0.6833 (mm-30) REVERT: K 404 ASP cc_start: 0.6489 (m-30) cc_final: 0.6212 (m-30) REVERT: K 408 PHE cc_start: 0.8265 (m-80) cc_final: 0.7509 (m-80) REVERT: K 414 ASN cc_start: 0.8432 (m-40) cc_final: 0.8189 (m-40) REVERT: K 415 MET cc_start: 0.8007 (mmm) cc_final: 0.7263 (mmm) REVERT: T 12 MET cc_start: 0.5393 (mtt) cc_final: 0.5115 (mtt) REVERT: T 40 VAL cc_start: 0.5731 (t) cc_final: 0.5232 (t) REVERT: T 44 LYS cc_start: 0.6688 (pttm) cc_final: 0.6366 (pttm) REVERT: T 105 MET cc_start: 0.5598 (ptt) cc_final: 0.4981 (ppp) REVERT: T 250 GLU cc_start: 0.6856 (mm-30) cc_final: 0.6332 (mm-30) REVERT: T 256 LYS cc_start: 0.7504 (mmmt) cc_final: 0.7110 (mmmt) REVERT: T 308 ASN cc_start: 0.7221 (p0) cc_final: 0.6929 (p0) REVERT: T 313 LYS cc_start: 0.8076 (mtmt) cc_final: 0.7759 (mtmt) REVERT: C 3 GLU cc_start: 0.7036 (pt0) cc_final: 0.6340 (pt0) REVERT: C 77 GLU cc_start: 0.5183 (pt0) cc_final: 0.4970 (pt0) REVERT: C 83 GLU cc_start: 0.6892 (pm20) cc_final: 0.6677 (pm20) REVERT: C 97 GLN cc_start: 0.7569 (mp10) cc_final: 0.7161 (mp10) REVERT: C 108 ASN cc_start: 0.6720 (t0) cc_final: 0.6344 (t0) REVERT: C 129 ARG cc_start: 0.6131 (tpm170) cc_final: 0.5899 (tpp-160) REVERT: C 161 GLU cc_start: 0.8319 (pt0) cc_final: 0.7953 (pt0) REVERT: C 163 LEU cc_start: 0.8913 (mt) cc_final: 0.8669 (mt) REVERT: C 169 LYS cc_start: 0.7817 (ptmm) cc_final: 0.7431 (ptmm) REVERT: C 172 LYS cc_start: 0.7336 (mtmm) cc_final: 0.7100 (mtmm) REVERT: C 192 ASN cc_start: 0.8280 (m-40) cc_final: 0.7601 (m-40) REVERT: C 220 ARG cc_start: 0.7572 (tmm-80) cc_final: 0.6933 (tmm-80) REVERT: C 222 ASN cc_start: 0.7800 (m-40) cc_final: 0.7532 (m-40) REVERT: C 227 ARG cc_start: 0.7275 (mtm-85) cc_final: 0.6669 (mmm-85) REVERT: C 233 LEU cc_start: 0.8520 (mp) cc_final: 0.7970 (tp) REVERT: C 235 ARG cc_start: 0.7678 (mtt-85) cc_final: 0.7323 (tpp80) REVERT: C 263 THR cc_start: 0.8277 (p) cc_final: 0.7907 (t) REVERT: C 265 LEU cc_start: 0.7548 (mp) cc_final: 0.7219 (mp) REVERT: C 290 GLU cc_start: 0.7552 (tp30) cc_final: 0.7205 (tp30) REVERT: C 306 ASN cc_start: 0.8269 (t0) cc_final: 0.7908 (t0) REVERT: C 311 CYS cc_start: 0.7880 (m) cc_final: 0.7040 (p) REVERT: C 319 MET cc_start: 0.6719 (mmm) cc_final: 0.5936 (mmm) REVERT: C 348 GLN cc_start: 0.6875 (tm-30) cc_final: 0.6670 (tm-30) REVERT: C 350 VAL cc_start: 0.7580 (p) cc_final: 0.6736 (t) REVERT: C 355 THR cc_start: 0.8040 (p) cc_final: 0.7836 (p) REVERT: C 362 ASN cc_start: 0.7849 (t0) cc_final: 0.7639 (t0) REVERT: C 363 TYR cc_start: 0.7417 (m-10) cc_final: 0.7197 (m-10) REVERT: C 378 GLN cc_start: 0.8080 (mm-40) cc_final: 0.7245 (mm-40) REVERT: C 379 ARG cc_start: 0.7856 (ptp90) cc_final: 0.7416 (mtm-85) REVERT: C 383 MET cc_start: 0.7102 (tpt) cc_final: 0.6557 (tpt) REVERT: C 400 LYS cc_start: 0.6700 (ptpt) cc_final: 0.6415 (pttm) REVERT: C 401 PHE cc_start: 0.7521 (t80) cc_final: 0.6912 (t80) REVERT: C 404 MET cc_start: 0.6999 (mtm) cc_final: 0.6715 (mtm) REVERT: C 407 LYS cc_start: 0.8025 (mmmt) cc_final: 0.7746 (mmmm) REVERT: C 410 PHE cc_start: 0.8392 (m-80) cc_final: 0.7747 (m-80) REVERT: C 419 MET cc_start: 0.7085 (mmp) cc_final: 0.5926 (mmt) REVERT: C 426 GLU cc_start: 0.7166 (tp30) cc_final: 0.6564 (tp30) REVERT: C 430 ASP cc_start: 0.7796 (t0) cc_final: 0.7456 (t0) REVERT: L 4 ILE cc_start: 0.8394 (mp) cc_final: 0.8123 (mp) REVERT: L 22 GLU cc_start: 0.8596 (mt-10) cc_final: 0.8220 (mt-10) REVERT: L 24 ILE cc_start: 0.9006 (pt) cc_final: 0.8676 (pt) REVERT: L 45 GLU cc_start: 0.8132 (pp20) cc_final: 0.7791 (pp20) REVERT: L 46 ARG cc_start: 0.8249 (mmt180) cc_final: 0.7862 (tpp80) REVERT: L 53 GLU cc_start: 0.7503 (tp30) cc_final: 0.6554 (tp30) REVERT: L 58 LYS cc_start: 0.7997 (tttt) cc_final: 0.7634 (tttt) REVERT: L 59 TYR cc_start: 0.6453 (m-80) cc_final: 0.6103 (m-80) REVERT: L 62 ARG cc_start: 0.7508 (ttm-80) cc_final: 0.5577 (ttm-80) REVERT: L 73 MET cc_start: 0.8497 (mmt) cc_final: 0.7551 (mmt) REVERT: L 74 ASP cc_start: 0.7494 (m-30) cc_final: 0.7287 (m-30) REVERT: L 83 GLN cc_start: 0.7196 (mm-40) cc_final: 0.6674 (mm-40) REVERT: L 108 GLU cc_start: 0.6096 (mp0) cc_final: 0.5491 (mp0) REVERT: L 112 LEU cc_start: 0.8380 (mp) cc_final: 0.8170 (mt) REVERT: L 123 GLU cc_start: 0.8068 (mm-30) cc_final: 0.7221 (tp30) REVERT: L 147 MET cc_start: 0.6564 (tmm) cc_final: 0.6201 (tmm) REVERT: L 155 ILE cc_start: 0.8280 (mt) cc_final: 0.7972 (tp) REVERT: L 164 MET cc_start: 0.7834 (tpp) cc_final: 0.7538 (mmm) REVERT: L 184 ASN cc_start: 0.7757 (m-40) cc_final: 0.7481 (m-40) REVERT: L 187 LEU cc_start: 0.8715 (mt) cc_final: 0.8356 (mt) REVERT: L 194 GLU cc_start: 0.7333 (pt0) cc_final: 0.6893 (pt0) REVERT: L 224 ASP cc_start: 0.7502 (m-30) cc_final: 0.7192 (m-30) REVERT: L 233 MET cc_start: 0.7789 (mtp) cc_final: 0.7567 (mtp) REVERT: L 240 LEU cc_start: 0.8115 (pt) cc_final: 0.7455 (mp) REVERT: L 241 ARG cc_start: 0.7185 (mtm110) cc_final: 0.6718 (mtm110) REVERT: L 245 GLN cc_start: 0.7314 (mm-40) cc_final: 0.6349 (mm-40) REVERT: L 257 MET cc_start: 0.7901 (mmm) cc_final: 0.7114 (tpp) REVERT: L 265 PHE cc_start: 0.8362 (m-80) cc_final: 0.7105 (m-80) REVERT: L 276 ARG cc_start: 0.6797 (tpm170) cc_final: 0.6245 (tpm170) REVERT: L 281 TYR cc_start: 0.7303 (m-80) cc_final: 0.7007 (m-80) REVERT: L 293 MET cc_start: 0.7545 (mtp) cc_final: 0.7094 (mtp) REVERT: L 295 ASP cc_start: 0.8166 (t70) cc_final: 0.6931 (p0) REVERT: L 299 MET cc_start: 0.7110 (ppp) cc_final: 0.6506 (ppp) REVERT: L 320 ARG cc_start: 0.6850 (mmt90) cc_final: 0.6395 (mmt90) REVERT: L 324 LYS cc_start: 0.8061 (ttpt) cc_final: 0.7535 (ttpp) REVERT: L 325 GLU cc_start: 0.8116 (mt-10) cc_final: 0.7228 (mt-10) REVERT: L 327 ASP cc_start: 0.7671 (m-30) cc_final: 0.6883 (m-30) REVERT: L 330 MET cc_start: 0.6743 (ppp) cc_final: 0.6361 (ppp) REVERT: L 335 ASN cc_start: 0.7524 (m110) cc_final: 0.7048 (m-40) REVERT: L 347 ASN cc_start: 0.7488 (t0) cc_final: 0.7027 (t0) REVERT: L 350 LYS cc_start: 0.8100 (tptp) cc_final: 0.7886 (tptp) REVERT: L 362 LYS cc_start: 0.7730 (mmmt) cc_final: 0.7375 (mmmm) REVERT: L 375 GLN cc_start: 0.8522 (pt0) cc_final: 0.7865 (pt0) REVERT: L 395 LEU cc_start: 0.7559 (mt) cc_final: 0.7018 (mt) REVERT: L 397 TRP cc_start: 0.7904 (m100) cc_final: 0.7655 (m-10) REVERT: L 404 ASP cc_start: 0.7158 (t0) cc_final: 0.6950 (t0) REVERT: L 408 PHE cc_start: 0.8171 (m-80) cc_final: 0.7417 (m-80) REVERT: L 410 GLU cc_start: 0.8601 (mt-10) cc_final: 0.7798 (mt-10) REVERT: L 414 ASN cc_start: 0.8244 (m-40) cc_final: 0.7788 (m110) REVERT: L 421 GLU cc_start: 0.8241 (tt0) cc_final: 0.7333 (tt0) REVERT: L 422 TYR cc_start: 0.8124 (m-80) cc_final: 0.7525 (m-80) REVERT: U 44 LYS cc_start: 0.6480 (pttm) cc_final: 0.5921 (pttm) REVERT: U 46 TYR cc_start: 0.6343 (m-80) cc_final: 0.5609 (m-80) REVERT: U 59 GLU cc_start: 0.4722 (tp30) cc_final: 0.4450 (tp30) REVERT: U 105 MET cc_start: 0.5631 (ptt) cc_final: 0.4764 (ppp) REVERT: U 116 PHE cc_start: 0.5882 (m-10) cc_final: 0.5581 (m-10) REVERT: U 122 MET cc_start: 0.6303 (mtt) cc_final: 0.6054 (mtt) REVERT: U 180 MET cc_start: 0.6008 (mmp) cc_final: 0.5738 (mmp) REVERT: U 250 GLU cc_start: 0.6700 (mm-30) cc_final: 0.6453 (mm-30) REVERT: U 256 LYS cc_start: 0.7675 (mmmt) cc_final: 0.7140 (mmmt) REVERT: U 323 LYS cc_start: 0.7275 (tptm) cc_final: 0.6886 (tptm) REVERT: D 11 GLN cc_start: 0.4976 (tm-30) cc_final: 0.4746 (tm-30) REVERT: D 18 ASN cc_start: 0.7805 (p0) cc_final: 0.7508 (p0) REVERT: D 22 GLU cc_start: 0.8132 (pt0) cc_final: 0.7546 (pt0) REVERT: D 93 PHE cc_start: 0.6742 (m-80) cc_final: 0.6396 (m-80) REVERT: D 102 LYS cc_start: 0.7106 (tptp) cc_final: 0.6279 (tptp) REVERT: D 108 ASN cc_start: 0.6590 (t0) cc_final: 0.6046 (t0) REVERT: D 118 LYS cc_start: 0.8553 (mmtt) cc_final: 0.7895 (mmtt) REVERT: D 158 LEU cc_start: 0.8402 (tp) cc_final: 0.7962 (tp) REVERT: D 174 GLU cc_start: 0.6937 (mp0) cc_final: 0.5686 (mp0) REVERT: D 192 ASN cc_start: 0.8155 (m-40) cc_final: 0.7395 (m-40) REVERT: D 196 THR cc_start: 0.8437 (t) cc_final: 0.7979 (p) REVERT: D 197 THR cc_start: 0.8863 (m) cc_final: 0.8447 (t) REVERT: D 198 HIS cc_start: 0.8473 (t-90) cc_final: 0.8189 (t-90) REVERT: D 222 ASN cc_start: 0.8491 (m-40) cc_final: 0.8138 (m-40) REVERT: D 232 ASN cc_start: 0.8659 (m-40) cc_final: 0.8343 (p0) REVERT: D 243 SER cc_start: 0.8061 (m) cc_final: 0.7606 (p) REVERT: D 255 ASN cc_start: 0.6885 (m-40) cc_final: 0.6610 (m-40) REVERT: D 259 THR cc_start: 0.8423 (p) cc_final: 0.8193 (t) REVERT: D 265 LEU cc_start: 0.7683 (mp) cc_final: 0.7237 (mm) REVERT: D 272 HIS cc_start: 0.6546 (p90) cc_final: 0.5725 (p90) REVERT: D 286 LYS cc_start: 0.8443 (mtpp) cc_final: 0.8011 (ttmt) REVERT: D 319 MET cc_start: 0.6113 (mmm) cc_final: 0.5439 (mmm) REVERT: D 338 ILE cc_start: 0.8779 (pt) cc_final: 0.8294 (tp) REVERT: D 344 LYS cc_start: 0.8216 (ttpt) cc_final: 0.7762 (ttpt) REVERT: D 358 LYS cc_start: 0.7108 (tptt) cc_final: 0.6313 (tppt) REVERT: D 384 LEU cc_start: 0.8342 (mm) cc_final: 0.8093 (mm) REVERT: D 385 SER cc_start: 0.7601 (m) cc_final: 0.7388 (m) REVERT: D 396 ARG cc_start: 0.8723 (ptt90) cc_final: 0.7873 (ptt90) REVERT: D 400 LYS cc_start: 0.7418 (ptpt) cc_final: 0.7104 (ptmt) REVERT: D 401 PHE cc_start: 0.7386 (t80) cc_final: 0.6936 (t80) REVERT: D 408 ARG cc_start: 0.8030 (mmt-90) cc_final: 0.7718 (mpt180) REVERT: D 410 PHE cc_start: 0.8735 (m-80) cc_final: 0.8242 (m-80) REVERT: D 419 MET cc_start: 0.5930 (mmm) cc_final: 0.5702 (mmp) REVERT: D 440 GLU cc_start: 0.7888 (tt0) cc_final: 0.7657 (tt0) REVERT: M 3 GLU cc_start: 0.6679 (mp0) cc_final: 0.6311 (mp0) REVERT: M 14 ASN cc_start: 0.8373 (m-40) cc_final: 0.8036 (m-40) REVERT: M 15 GLN cc_start: 0.8625 (mm110) cc_final: 0.8413 (mm-40) REVERT: M 22 GLU cc_start: 0.8347 (mt-10) cc_final: 0.7904 (mt-10) REVERT: M 46 ARG cc_start: 0.8135 (mmt180) cc_final: 0.7821 (tpp80) REVERT: M 47 ILE cc_start: 0.7964 (tt) cc_final: 0.7567 (tt) REVERT: M 59 TYR cc_start: 0.7904 (m-80) cc_final: 0.7407 (m-80) REVERT: M 62 ARG cc_start: 0.8109 (ptp-110) cc_final: 0.7815 (ptp-110) REVERT: M 103 LYS cc_start: 0.7392 (mttt) cc_final: 0.6539 (mmmm) REVERT: M 122 LYS cc_start: 0.7973 (ptmm) cc_final: 0.7701 (ptmm) REVERT: M 123 GLU cc_start: 0.7747 (mm-30) cc_final: 0.7406 (mm-30) REVERT: M 147 MET cc_start: 0.5603 (tmm) cc_final: 0.4981 (tmm) REVERT: M 157 GLU cc_start: 0.8510 (pt0) cc_final: 0.8266 (pt0) REVERT: M 158 GLU cc_start: 0.8432 (tt0) cc_final: 0.8227 (tt0) REVERT: M 170 MET cc_start: 0.7312 (ptm) cc_final: 0.7049 (ttm) REVERT: M 181 GLU cc_start: 0.8256 (pt0) cc_final: 0.7701 (pt0) REVERT: M 184 ASN cc_start: 0.7860 (m-40) cc_final: 0.7123 (m-40) REVERT: M 195 ASN cc_start: 0.6736 (p0) cc_final: 0.6372 (p0) REVERT: M 204 ASN cc_start: 0.8431 (m-40) cc_final: 0.8227 (m-40) REVERT: M 224 ASP cc_start: 0.7382 (m-30) cc_final: 0.6928 (m-30) REVERT: M 227 HIS cc_start: 0.7641 (t-170) cc_final: 0.7200 (m-70) REVERT: M 237 THR cc_start: 0.8103 (p) cc_final: 0.7791 (p) REVERT: M 240 LEU cc_start: 0.7831 (pp) cc_final: 0.7210 (mp) REVERT: M 267 MET cc_start: 0.7547 (ttm) cc_final: 0.7267 (ttm) REVERT: M 276 ARG cc_start: 0.6904 (tpm170) cc_final: 0.6256 (tpm170) REVERT: M 280 GLN cc_start: 0.8075 (mp10) cc_final: 0.7632 (mp10) REVERT: M 286 VAL cc_start: 0.8731 (m) cc_final: 0.8440 (p) REVERT: M 290 THR cc_start: 0.8116 (m) cc_final: 0.7142 (p) REVERT: M 292 GLN cc_start: 0.7981 (tt0) cc_final: 0.7776 (tt0) REVERT: M 293 MET cc_start: 0.7277 (mtm) cc_final: 0.6999 (mtm) REVERT: M 295 ASP cc_start: 0.7796 (t70) cc_final: 0.7524 (t70) REVERT: M 300 MET cc_start: 0.7622 (mtt) cc_final: 0.6982 (mmm) REVERT: M 321 MET cc_start: 0.7518 (ptp) cc_final: 0.6943 (ptp) REVERT: M 323 MET cc_start: 0.7720 (mmp) cc_final: 0.7333 (mmp) REVERT: M 327 ASP cc_start: 0.7714 (m-30) cc_final: 0.7111 (m-30) REVERT: M 330 MET cc_start: 0.7339 (ppp) cc_final: 0.7014 (ppp) REVERT: M 337 ASN cc_start: 0.7283 (m-40) cc_final: 0.6648 (m-40) REVERT: M 340 TYR cc_start: 0.7228 (m-80) cc_final: 0.6585 (m-80) REVERT: M 344 TRP cc_start: 0.6864 (p-90) cc_final: 0.6632 (p-90) REVERT: M 353 VAL cc_start: 0.8102 (m) cc_final: 0.7750 (p) REVERT: M 374 ILE cc_start: 0.7803 (tp) cc_final: 0.7490 (tp) REVERT: M 383 GLU cc_start: 0.7542 (pp20) cc_final: 0.7221 (pp20) REVERT: M 384 GLN cc_start: 0.8181 (mt0) cc_final: 0.7545 (mt0) REVERT: M 388 MET cc_start: 0.7926 (mtp) cc_final: 0.7300 (mtp) REVERT: M 397 TRP cc_start: 0.7849 (m100) cc_final: 0.7586 (m100) REVERT: M 415 MET cc_start: 0.8093 (mmm) cc_final: 0.7326 (mmm) REVERT: M 421 GLU cc_start: 0.7567 (tt0) cc_final: 0.6743 (tt0) REVERT: V 12 MET cc_start: 0.6863 (mpp) cc_final: 0.6288 (mpp) REVERT: V 32 LYS cc_start: 0.7732 (tttt) cc_final: 0.7445 (tptt) REVERT: V 33 PHE cc_start: 0.6157 (m-80) cc_final: 0.5753 (m-80) REVERT: V 87 THR cc_start: 0.5817 (p) cc_final: 0.5444 (p) REVERT: V 105 MET cc_start: 0.5345 (ptt) cc_final: 0.5132 (ptm) REVERT: V 197 MET cc_start: 0.6931 (tpt) cc_final: 0.6117 (tpt) REVERT: V 198 ASN cc_start: 0.5330 (t0) cc_final: 0.4679 (t0) REVERT: V 256 LYS cc_start: 0.8023 (mmmt) cc_final: 0.7213 (mmmt) REVERT: V 282 MET cc_start: 0.7520 (tpt) cc_final: 0.7280 (tpt) REVERT: V 313 LYS cc_start: 0.8229 (mtmt) cc_final: 0.7941 (mtmt) REVERT: E 22 GLU cc_start: 0.7643 (pt0) cc_final: 0.7236 (pt0) REVERT: E 31 GLN cc_start: 0.7819 (tp-100) cc_final: 0.7365 (tp40) REVERT: E 36 MET cc_start: 0.7588 (ttm) cc_final: 0.7223 (ttm) REVERT: E 61 GLU cc_start: 0.5151 (tm-30) cc_final: 0.4656 (tm-30) REVERT: E 70 ARG cc_start: 0.6945 (mtt90) cc_final: 0.6665 (mtt-85) REVERT: E 85 ARG cc_start: 0.7596 (mtt180) cc_final: 0.7348 (mtt180) REVERT: E 96 GLU cc_start: 0.7755 (tt0) cc_final: 0.7501 (tt0) REVERT: E 107 ASN cc_start: 0.6115 (m-40) cc_final: 0.5580 (m-40) REVERT: E 129 ARG cc_start: 0.7775 (ttm-80) cc_final: 0.7314 (ttm-80) REVERT: E 144 PHE cc_start: 0.7873 (m-80) cc_final: 0.7269 (m-80) REVERT: E 172 LYS cc_start: 0.8021 (mtmm) cc_final: 0.7697 (mtmm) REVERT: E 175 PHE cc_start: 0.7364 (m-10) cc_final: 0.7082 (m-80) REVERT: E 212 ASN cc_start: 0.7260 (p0) cc_final: 0.7006 (p0) REVERT: E 220 ARG cc_start: 0.7261 (tpp80) cc_final: 0.6860 (tpp80) REVERT: E 225 ILE cc_start: 0.6604 (mm) cc_final: 0.6286 (tp) REVERT: E 235 ARG cc_start: 0.8313 (tpp80) cc_final: 0.7750 (mmm-85) REVERT: E 241 VAL cc_start: 0.7646 (t) cc_final: 0.7378 (t) REVERT: E 248 LEU cc_start: 0.8578 (mt) cc_final: 0.8085 (mm) REVERT: E 254 LEU cc_start: 0.7991 (tt) cc_final: 0.7730 (tt) REVERT: E 263 THR cc_start: 0.8378 (p) cc_final: 0.8038 (m) REVERT: E 286 LYS cc_start: 0.8276 (mttp) cc_final: 0.8046 (mtpt) REVERT: E 288 TYR cc_start: 0.7393 (m-80) cc_final: 0.7068 (m-80) REVERT: E 306 ASN cc_start: 0.7913 (t0) cc_final: 0.6657 (t0) REVERT: E 319 MET cc_start: 0.6186 (mmm) cc_final: 0.5456 (mmm) REVERT: E 342 LYS cc_start: 0.8787 (mtpp) cc_final: 0.8485 (mtmm) REVERT: E 379 ARG cc_start: 0.8135 (ptp90) cc_final: 0.7851 (ptp90) REVERT: E 382 CYS cc_start: 0.7447 (t) cc_final: 0.7244 (t) REVERT: E 383 MET cc_start: 0.6646 (tpt) cc_final: 0.5934 (tpt) REVERT: E 384 LEU cc_start: 0.7049 (mm) cc_final: 0.6811 (mm) REVERT: E 401 PHE cc_start: 0.8331 (t80) cc_final: 0.7911 (t80) REVERT: E 426 GLU cc_start: 0.7799 (tp30) cc_final: 0.6913 (tp30) REVERT: E 429 GLU cc_start: 0.7043 (pp20) cc_final: 0.6710 (pp20) REVERT: E 431 MET cc_start: 0.8095 (tpp) cc_final: 0.7523 (ptt) REVERT: E 439 GLU cc_start: 0.7632 (pt0) cc_final: 0.7134 (pt0) REVERT: N 21 TRP cc_start: 0.8408 (m100) cc_final: 0.8170 (m100) REVERT: N 35 SER cc_start: 0.7583 (p) cc_final: 0.7154 (t) REVERT: N 68 LEU cc_start: 0.7469 (mm) cc_final: 0.7229 (mm) REVERT: N 73 MET cc_start: 0.8408 (mmt) cc_final: 0.8118 (mmt) REVERT: N 83 GLN cc_start: 0.7720 (mm-40) cc_final: 0.7001 (mm-40) REVERT: N 94 GLN cc_start: 0.7518 (tm-30) cc_final: 0.7236 (tm-30) REVERT: N 106 TYR cc_start: 0.7991 (m-80) cc_final: 0.7167 (m-10) REVERT: N 122 LYS cc_start: 0.8429 (ptmm) cc_final: 0.8128 (ptmm) REVERT: N 123 GLU cc_start: 0.8319 (mm-30) cc_final: 0.7767 (tp30) REVERT: N 129 CYS cc_start: 0.7511 (t) cc_final: 0.7239 (t) REVERT: N 131 GLN cc_start: 0.6550 (tp-100) cc_final: 0.6237 (tp-100) REVERT: N 159 TYR cc_start: 0.8415 (m-80) cc_final: 0.8065 (m-10) REVERT: N 181 GLU cc_start: 0.7855 (pt0) cc_final: 0.7550 (pt0) REVERT: N 188 SER cc_start: 0.8090 (p) cc_final: 0.7373 (m) REVERT: N 191 GLN cc_start: 0.7799 (mp10) cc_final: 0.7548 (mp10) REVERT: N 232 THR cc_start: 0.8215 (p) cc_final: 0.7994 (t) REVERT: N 238 THR cc_start: 0.7694 (p) cc_final: 0.7462 (t) REVERT: N 241 ARG cc_start: 0.8042 (ttm170) cc_final: 0.7679 (ttm110) REVERT: N 257 MET cc_start: 0.6727 (mmm) cc_final: 0.6084 (mmm) REVERT: N 264 HIS cc_start: 0.7985 (p-80) cc_final: 0.7172 (p-80) REVERT: N 265 PHE cc_start: 0.8443 (m-80) cc_final: 0.7825 (m-80) REVERT: N 276 ARG cc_start: 0.7224 (tpm170) cc_final: 0.6240 (tpm170) REVERT: N 280 GLN cc_start: 0.8095 (mp10) cc_final: 0.7388 (mp10) REVERT: N 290 THR cc_start: 0.8411 (m) cc_final: 0.7878 (p) REVERT: N 292 GLN cc_start: 0.7054 (tm-30) cc_final: 0.6792 (tm-30) REVERT: N 293 MET cc_start: 0.7898 (mtp) cc_final: 0.7439 (mtp) REVERT: N 295 ASP cc_start: 0.8198 (t70) cc_final: 0.7898 (t70) REVERT: N 300 MET cc_start: 0.7062 (mtt) cc_final: 0.6504 (mpp) REVERT: N 327 ASP cc_start: 0.7410 (m-30) cc_final: 0.6487 (m-30) REVERT: N 340 TYR cc_start: 0.6623 (m-80) cc_final: 0.5936 (m-80) REVERT: N 347 ASN cc_start: 0.5881 (p0) cc_final: 0.5357 (t0) REVERT: N 350 LYS cc_start: 0.8254 (tptp) cc_final: 0.7942 (tptp) REVERT: N 375 GLN cc_start: 0.8441 (pp30) cc_final: 0.7920 (pp30) REVERT: N 379 LYS cc_start: 0.8615 (ptpp) cc_final: 0.8389 (ptpp) REVERT: N 385 PHE cc_start: 0.7550 (t80) cc_final: 0.7075 (t80) REVERT: N 388 MET cc_start: 0.7381 (mtp) cc_final: 0.6793 (mtp) REVERT: N 392 LYS cc_start: 0.7942 (mtmm) cc_final: 0.7439 (mtmm) REVERT: N 404 ASP cc_start: 0.7755 (t70) cc_final: 0.7417 (t70) REVERT: N 406 MET cc_start: 0.7998 (mmm) cc_final: 0.7796 (mmm) REVERT: N 407 GLU cc_start: 0.7517 (mt-10) cc_final: 0.7170 (mt-10) REVERT: N 415 MET cc_start: 0.8213 (mmm) cc_final: 0.7747 (mmm) REVERT: W 64 ASP cc_start: 0.8055 (t0) cc_final: 0.7746 (t0) REVERT: W 92 THR cc_start: 0.6675 (m) cc_final: 0.6387 (p) REVERT: W 95 MET cc_start: 0.6578 (mpp) cc_final: 0.6107 (mpp) REVERT: W 155 VAL cc_start: 0.7533 (t) cc_final: 0.7302 (p) REVERT: W 228 TYR cc_start: 0.6391 (m-80) cc_final: 0.5435 (m-80) REVERT: W 249 ASP cc_start: 0.7288 (m-30) cc_final: 0.6907 (m-30) REVERT: W 309 GLU cc_start: 0.6767 (mt-10) cc_final: 0.6554 (mt-10) REVERT: W 313 LYS cc_start: 0.8691 (mtmt) cc_final: 0.8452 (mtmt) REVERT: F 36 MET cc_start: 0.7405 (tmm) cc_final: 0.7022 (tmm) REVERT: F 55 PHE cc_start: 0.6482 (p90) cc_final: 0.6234 (p90) REVERT: F 114 TYR cc_start: 0.7766 (m-80) cc_final: 0.7564 (m-80) REVERT: F 119 GLU cc_start: 0.7672 (pp20) cc_final: 0.7235 (pp20) REVERT: F 155 PHE cc_start: 0.7715 (t80) cc_final: 0.7170 (t80) REVERT: F 169 LYS cc_start: 0.7451 (ptmm) cc_final: 0.7171 (ptmm) REVERT: F 172 LYS cc_start: 0.7487 (mtmm) cc_final: 0.7181 (mtmm) REVERT: F 192 ASN cc_start: 0.8048 (m-40) cc_final: 0.7376 (m-40) REVERT: F 193 SER cc_start: 0.8042 (m) cc_final: 0.7837 (p) REVERT: F 239 GLN cc_start: 0.7083 (tp40) cc_final: 0.6878 (tp40) REVERT: F 289 HIS cc_start: 0.7494 (t-90) cc_final: 0.7213 (t-90) REVERT: F 319 MET cc_start: 0.6621 (mmm) cc_final: 0.5648 (mmm) REVERT: F 340 THR cc_start: 0.8686 (p) cc_final: 0.8420 (m) REVERT: F 348 GLN cc_start: 0.7496 (tt0) cc_final: 0.7135 (tm-30) REVERT: F 364 GLN cc_start: 0.6936 (tm-30) cc_final: 0.6313 (tm-30) REVERT: F 376 LYS cc_start: 0.7719 (tmtt) cc_final: 0.7484 (tmtt) REVERT: F 379 ARG cc_start: 0.7748 (ptp90) cc_final: 0.7489 (ptp90) REVERT: F 383 MET cc_start: 0.7569 (tpt) cc_final: 0.7249 (tpt) REVERT: F 401 PHE cc_start: 0.7007 (t80) cc_final: 0.6463 (t80) REVERT: F 410 PHE cc_start: 0.8613 (m-80) cc_final: 0.8255 (m-80) REVERT: F 413 TRP cc_start: 0.7891 (m100) cc_final: 0.7499 (m100) REVERT: F 423 GLU cc_start: 0.7948 (mt-10) cc_final: 0.7218 (pm20) REVERT: F 426 GLU cc_start: 0.6862 (tp30) cc_final: 0.6380 (tp30) REVERT: F 430 ASP cc_start: 0.7799 (t0) cc_final: 0.7159 (t0) REVERT: F 434 LEU cc_start: 0.7497 (mt) cc_final: 0.6932 (mm) REVERT: O 15 GLN cc_start: 0.8758 (mm110) cc_final: 0.8355 (mm-40) REVERT: O 20 PHE cc_start: 0.8557 (t80) cc_final: 0.8216 (t80) REVERT: O 22 GLU cc_start: 0.8455 (mt-10) cc_final: 0.7986 (mt-10) REVERT: O 24 ILE cc_start: 0.8945 (pt) cc_final: 0.8622 (pt) REVERT: O 31 ASP cc_start: 0.7006 (t0) cc_final: 0.6747 (t70) REVERT: O 40 SER cc_start: 0.7549 (t) cc_final: 0.7028 (p) REVERT: O 46 ARG cc_start: 0.8752 (mmm-85) cc_final: 0.8396 (mmm-85) REVERT: O 47 ILE cc_start: 0.7971 (tt) cc_final: 0.7763 (tt) REVERT: O 53 GLU cc_start: 0.7446 (tp30) cc_final: 0.6875 (tp30) REVERT: O 74 ASP cc_start: 0.7395 (m-30) cc_final: 0.7126 (m-30) REVERT: O 108 GLU cc_start: 0.5670 (mp0) cc_final: 0.5112 (mp0) REVERT: O 122 LYS cc_start: 0.8017 (ptmm) cc_final: 0.7457 (ptmm) REVERT: O 131 GLN cc_start: 0.6550 (tp-100) cc_final: 0.5992 (tp-100) REVERT: O 157 GLU cc_start: 0.8229 (pt0) cc_final: 0.8024 (pt0) REVERT: O 164 MET cc_start: 0.7910 (mmm) cc_final: 0.7616 (mmm) REVERT: O 165 ASN cc_start: 0.7221 (m-40) cc_final: 0.6734 (m-40) REVERT: O 224 ASP cc_start: 0.7286 (m-30) cc_final: 0.6954 (m-30) REVERT: O 240 LEU cc_start: 0.7734 (pp) cc_final: 0.7531 (pp) REVERT: O 262 ARG cc_start: 0.7864 (mtt180) cc_final: 0.7431 (mtm-85) REVERT: O 265 PHE cc_start: 0.7868 (m-80) cc_final: 0.7240 (m-80) REVERT: O 267 MET cc_start: 0.7360 (ttm) cc_final: 0.6880 (ttm) REVERT: O 270 PHE cc_start: 0.6844 (t80) cc_final: 0.6471 (t80) REVERT: O 273 LEU cc_start: 0.7645 (mt) cc_final: 0.7231 (mt) REVERT: O 276 ARG cc_start: 0.7112 (tpm170) cc_final: 0.6017 (tpm170) REVERT: O 289 LEU cc_start: 0.8353 (pp) cc_final: 0.8045 (pp) REVERT: O 290 THR cc_start: 0.8302 (m) cc_final: 0.7713 (p) REVERT: O 293 MET cc_start: 0.7731 (mtp) cc_final: 0.6816 (mtp) REVERT: O 300 MET cc_start: 0.6836 (mtt) cc_final: 0.6413 (mtm) REVERT: O 321 MET cc_start: 0.7153 (pmm) cc_final: 0.6220 (pmm) REVERT: O 324 LYS cc_start: 0.7814 (ttpt) cc_final: 0.7603 (ttpp) REVERT: O 325 GLU cc_start: 0.8291 (mt-10) cc_final: 0.7843 (mt-10) REVERT: O 327 ASP cc_start: 0.7758 (m-30) cc_final: 0.6867 (m-30) REVERT: O 329 GLN cc_start: 0.8336 (mm-40) cc_final: 0.8088 (mt0) REVERT: O 330 MET cc_start: 0.7265 (ppp) cc_final: 0.6825 (ppp) REVERT: O 331 LEU cc_start: 0.7806 (tp) cc_final: 0.7481 (tp) REVERT: O 374 ILE cc_start: 0.7766 (tp) cc_final: 0.7480 (tp) REVERT: O 401 GLU cc_start: 0.7143 (mm-30) cc_final: 0.6913 (mm-30) REVERT: O 403 MET cc_start: 0.4938 (ttt) cc_final: 0.4737 (ttt) REVERT: O 404 ASP cc_start: 0.6601 (t0) cc_final: 0.6241 (t0) REVERT: O 408 PHE cc_start: 0.7750 (m-80) cc_final: 0.6585 (m-80) REVERT: O 415 MET cc_start: 0.7905 (mmm) cc_final: 0.7159 (mmm) REVERT: X 12 MET cc_start: 0.4680 (mtm) cc_final: 0.4085 (mtm) REVERT: X 48 PHE cc_start: 0.4931 (m-80) cc_final: 0.4699 (m-80) REVERT: X 122 MET cc_start: 0.6333 (ppp) cc_final: 0.5695 (ptt) REVERT: X 137 ILE cc_start: 0.4059 (tp) cc_final: 0.2829 (mp) REVERT: X 180 MET cc_start: 0.6296 (mmt) cc_final: 0.6060 (mmt) REVERT: X 197 MET cc_start: 0.6015 (tpt) cc_final: 0.5021 (tpt) REVERT: X 250 GLU cc_start: 0.6739 (mm-30) cc_final: 0.6317 (mm-30) REVERT: X 255 ASN cc_start: 0.7377 (m-40) cc_final: 0.6962 (t0) REVERT: X 258 LEU cc_start: 0.6792 (pp) cc_final: 0.6109 (mp) REVERT: X 313 LYS cc_start: 0.7140 (mtmt) cc_final: 0.6886 (mtmt) REVERT: X 323 LYS cc_start: 0.6433 (tptm) cc_final: 0.6072 (tptm) REVERT: G 16 ILE cc_start: 0.7936 (mt) cc_final: 0.7524 (mm) REVERT: G 89 TYR cc_start: 0.5537 (m-80) cc_final: 0.5113 (m-80) REVERT: G 90 ARG cc_start: 0.6537 (mtm-85) cc_final: 0.6044 (mtm-85) REVERT: G 97 GLN cc_start: 0.7218 (mt0) cc_final: 0.6945 (mt0) REVERT: G 102 LYS cc_start: 0.6787 (tptp) cc_final: 0.6454 (tptp) REVERT: G 118 LYS cc_start: 0.8369 (mmtt) cc_final: 0.7933 (mmtt) REVERT: G 127 ARG cc_start: 0.7735 (mmm160) cc_final: 0.7513 (mmm160) REVERT: G 174 GLU cc_start: 0.6413 (mp0) cc_final: 0.5439 (mp0) REVERT: G 175 PHE cc_start: 0.7274 (m-10) cc_final: 0.6529 (m-10) REVERT: G 209 MET cc_start: 0.6878 (mpp) cc_final: 0.6172 (mpp) REVERT: G 215 ILE cc_start: 0.7748 (tt) cc_final: 0.7342 (tt) REVERT: G 240 ILE cc_start: 0.7264 (mt) cc_final: 0.7004 (mt) REVERT: G 267 PRO cc_start: 0.7747 (Cg_endo) cc_final: 0.7486 (Cg_exo) REVERT: G 272 HIS cc_start: 0.6540 (p90) cc_final: 0.6314 (p90) REVERT: G 293 THR cc_start: 0.8175 (t) cc_final: 0.6810 (t) REVERT: G 308 MET cc_start: 0.7964 (mmm) cc_final: 0.7439 (mtt) REVERT: G 319 MET cc_start: 0.5325 (mmm) cc_final: 0.4938 (mmm) REVERT: G 322 CYS cc_start: 0.6627 (p) cc_final: 0.6277 (p) REVERT: G 329 VAL cc_start: 0.8312 (t) cc_final: 0.7718 (p) REVERT: G 338 ILE cc_start: 0.8911 (pt) cc_final: 0.8666 (pt) REVERT: G 342 LYS cc_start: 0.8550 (mtpp) cc_final: 0.7925 (mtpp) REVERT: G 344 LYS cc_start: 0.8635 (ttpt) cc_final: 0.8190 (ttpt) REVERT: G 348 GLN cc_start: 0.7142 (pp30) cc_final: 0.6786 (pp30) REVERT: G 358 LYS cc_start: 0.7039 (tmtt) cc_final: 0.6472 (tmtt) REVERT: G 362 ASN cc_start: 0.7999 (t0) cc_final: 0.7724 (t0) REVERT: G 378 GLN cc_start: 0.8004 (mm110) cc_final: 0.7542 (mm-40) REVERT: G 379 ARG cc_start: 0.8394 (ptp90) cc_final: 0.7250 (mtm-85) REVERT: G 383 MET cc_start: 0.6971 (tpt) cc_final: 0.6525 (tpt) REVERT: G 398 ASP cc_start: 0.6585 (t0) cc_final: 0.6161 (t0) REVERT: G 401 PHE cc_start: 0.6998 (t80) cc_final: 0.6545 (t80) REVERT: G 407 LYS cc_start: 0.8452 (mmmt) cc_final: 0.7822 (mtpt) REVERT: G 410 PHE cc_start: 0.8397 (m-80) cc_final: 0.8176 (m-10) REVERT: G 423 GLU cc_start: 0.7609 (pm20) cc_final: 0.7379 (pm20) REVERT: P 21 TRP cc_start: 0.8154 (m100) cc_final: 0.7882 (m100) REVERT: P 22 GLU cc_start: 0.8014 (mt-10) cc_final: 0.7714 (mt-10) REVERT: P 53 GLU cc_start: 0.6285 (tp30) cc_final: 0.5906 (tp30) REVERT: P 62 ARG cc_start: 0.7955 (ptp-110) cc_final: 0.6905 (ptp-110) REVERT: P 74 ASP cc_start: 0.7450 (m-30) cc_final: 0.7214 (m-30) REVERT: P 86 ARG cc_start: 0.7648 (ttm-80) cc_final: 0.7261 (mtp-110) REVERT: P 103 LYS cc_start: 0.7610 (mttt) cc_final: 0.6868 (mmmm) REVERT: P 121 ARG cc_start: 0.7482 (mtt180) cc_final: 0.7192 (mtt90) REVERT: P 123 GLU cc_start: 0.7748 (mm-30) cc_final: 0.7329 (tp30) REVERT: P 147 MET cc_start: 0.5514 (tmm) cc_final: 0.5204 (tmm) REVERT: P 157 GLU cc_start: 0.8274 (pt0) cc_final: 0.7989 (pt0) REVERT: P 166 THR cc_start: 0.7011 (p) cc_final: 0.6723 (p) REVERT: P 181 GLU cc_start: 0.7333 (pt0) cc_final: 0.7003 (pt0) REVERT: P 245 GLN cc_start: 0.7186 (mm-40) cc_final: 0.6926 (mm-40) REVERT: P 257 MET cc_start: 0.6780 (mmm) cc_final: 0.6259 (mmm) REVERT: P 266 PHE cc_start: 0.7726 (m-10) cc_final: 0.7378 (m-10) REVERT: P 270 PHE cc_start: 0.6781 (t80) cc_final: 0.6509 (t80) REVERT: P 276 ARG cc_start: 0.6835 (tpm170) cc_final: 0.6258 (tpm170) REVERT: P 293 MET cc_start: 0.7684 (mtp) cc_final: 0.7009 (mtp) REVERT: P 296 SER cc_start: 0.8134 (m) cc_final: 0.7885 (p) REVERT: P 318 ARG cc_start: 0.6829 (mtp180) cc_final: 0.6086 (ttm170) REVERT: P 335 ASN cc_start: 0.6977 (m110) cc_final: 0.6563 (m110) REVERT: P 344 TRP cc_start: 0.7304 (p-90) cc_final: 0.6969 (p-90) REVERT: P 353 VAL cc_start: 0.7935 (p) cc_final: 0.7675 (m) REVERT: P 355 ASP cc_start: 0.7622 (m-30) cc_final: 0.7395 (m-30) REVERT: P 383 GLU cc_start: 0.7321 (pp20) cc_final: 0.6932 (pp20) REVERT: P 390 ARG cc_start: 0.7444 (ptt-90) cc_final: 0.6795 (ptt-90) REVERT: P 404 ASP cc_start: 0.7524 (m-30) cc_final: 0.7317 (t70) REVERT: Z 10 LYS cc_start: 0.4863 (tppp) cc_final: 0.4534 (mptt) REVERT: Z 59 GLU cc_start: 0.7382 (tp30) cc_final: 0.7117 (tp30) REVERT: Z 81 ILE cc_start: 0.6473 (mp) cc_final: 0.6245 (mp) REVERT: Z 105 MET cc_start: 0.4966 (ptt) cc_final: 0.4496 (ptt) REVERT: Z 229 LEU cc_start: 0.5864 (mt) cc_final: 0.5602 (mt) REVERT: Z 282 MET cc_start: 0.7226 (tpt) cc_final: 0.6833 (tpt) REVERT: Z 286 LEU cc_start: 0.7283 (mm) cc_final: 0.6808 (mm) REVERT: Z 313 LYS cc_start: 0.8276 (mtmt) cc_final: 0.7993 (mtmt) REVERT: Z 315 THR cc_start: 0.7626 (m) cc_final: 0.7365 (m) REVERT: Z 320 GLN cc_start: 0.6541 (mt0) cc_final: 0.6297 (mm-40) REVERT: H 11 GLN cc_start: 0.5589 (tp-100) cc_final: 0.5185 (tm-30) REVERT: H 23 LEU cc_start: 0.8359 (tt) cc_final: 0.8153 (tt) REVERT: H 24 TYR cc_start: 0.7431 (m-80) cc_final: 0.6969 (m-80) REVERT: H 81 ILE cc_start: 0.6487 (mm) cc_final: 0.6213 (mm) REVERT: H 90 ARG cc_start: 0.6671 (mtm-85) cc_final: 0.6300 (mtm-85) REVERT: H 120 ILE cc_start: 0.8458 (tp) cc_final: 0.8183 (tp) REVERT: H 121 ILE cc_start: 0.8803 (pt) cc_final: 0.8414 (mm) REVERT: H 139 GLN cc_start: 0.7763 (mm-40) cc_final: 0.7450 (mp10) REVERT: H 155 PHE cc_start: 0.8108 (t80) cc_final: 0.7394 (t80) REVERT: H 156 THR cc_start: 0.8347 (p) cc_final: 0.7729 (p) REVERT: H 172 LYS cc_start: 0.7623 (mtmm) cc_final: 0.7208 (mtmm) REVERT: H 174 GLU cc_start: 0.6208 (mp0) cc_final: 0.5438 (mp0) REVERT: H 195 LEU cc_start: 0.8166 (mt) cc_final: 0.7824 (tp) REVERT: H 239 GLN cc_start: 0.7613 (mm110) cc_final: 0.6901 (tp40) REVERT: H 265 LEU cc_start: 0.7580 (mp) cc_final: 0.7136 (mm) REVERT: H 282 ILE cc_start: 0.7009 (tp) cc_final: 0.6805 (tp) REVERT: H 289 HIS cc_start: 0.7182 (t-170) cc_final: 0.6973 (t-170) REVERT: H 290 GLU cc_start: 0.8025 (tp30) cc_final: 0.7604 (tp30) REVERT: H 293 THR cc_start: 0.7567 (t) cc_final: 0.7304 (p) REVERT: H 296 GLU cc_start: 0.7678 (pm20) cc_final: 0.7257 (mp0) REVERT: H 310 LYS cc_start: 0.7601 (mtpt) cc_final: 0.7151 (mtpt) REVERT: H 312 ASP cc_start: 0.7443 (t0) cc_final: 0.7210 (t70) REVERT: H 319 MET cc_start: 0.5901 (mmm) cc_final: 0.5047 (mmm) REVERT: H 358 LYS cc_start: 0.7257 (tptt) cc_final: 0.6365 (mmtt) REVERT: H 378 GLN cc_start: 0.7298 (mp10) cc_final: 0.7033 (mp10) REVERT: H 401 PHE cc_start: 0.7915 (t80) cc_final: 0.7548 (t80) REVERT: H 404 MET cc_start: 0.7337 (mpp) cc_final: 0.6971 (mmm) REVERT: H 423 GLU cc_start: 0.7752 (pt0) cc_final: 0.7426 (pm20) REVERT: H 439 GLU cc_start: 0.7323 (pt0) cc_final: 0.6906 (pt0) REVERT: R 15 GLN cc_start: 0.8340 (mm110) cc_final: 0.8026 (mm-40) REVERT: R 20 PHE cc_start: 0.8490 (t80) cc_final: 0.8037 (t80) REVERT: R 22 GLU cc_start: 0.7840 (mt-10) cc_final: 0.6870 (tp30) REVERT: R 94 GLN cc_start: 0.7194 (tm-30) cc_final: 0.6850 (tm-30) REVERT: R 123 GLU cc_start: 0.7074 (tp30) cc_final: 0.6756 (tp30) REVERT: R 129 CYS cc_start: 0.8043 (t) cc_final: 0.7631 (t) REVERT: R 147 MET cc_start: 0.6132 (tmm) cc_final: 0.5846 (tmm) REVERT: R 192 LEU cc_start: 0.8790 (mm) cc_final: 0.8441 (mm) REVERT: R 199 THR cc_start: 0.6786 (m) cc_final: 0.5806 (p) REVERT: R 233 MET cc_start: 0.7618 (mtp) cc_final: 0.7046 (mmt) REVERT: R 253 LEU cc_start: 0.8505 (mp) cc_final: 0.7890 (tp) REVERT: R 256 ASN cc_start: 0.8259 (m110) cc_final: 0.7048 (m-40) REVERT: R 292 GLN cc_start: 0.8152 (tt0) cc_final: 0.7526 (tm-30) REVERT: R 295 ASP cc_start: 0.8066 (t70) cc_final: 0.7769 (t70) REVERT: R 298 ASN cc_start: 0.6797 (t0) cc_final: 0.6463 (t0) REVERT: R 300 MET cc_start: 0.7086 (mtt) cc_final: 0.6321 (mtt) REVERT: R 309 ARG cc_start: 0.6639 (ptp-110) cc_final: 0.6350 (ptp-110) REVERT: R 324 LYS cc_start: 0.7739 (ttpt) cc_final: 0.7290 (ttpt) REVERT: R 330 MET cc_start: 0.7414 (ppp) cc_final: 0.7102 (ppp) REVERT: R 345 ILE cc_start: 0.8001 (mm) cc_final: 0.7686 (mp) REVERT: R 353 VAL cc_start: 0.8021 (p) cc_final: 0.7613 (m) REVERT: R 355 ASP cc_start: 0.7611 (m-30) cc_final: 0.7385 (m-30) REVERT: R 366 THR cc_start: 0.7743 (t) cc_final: 0.7367 (t) REVERT: R 375 GLN cc_start: 0.8220 (pt0) cc_final: 0.7829 (tm-30) REVERT: R 384 GLN cc_start: 0.8102 (mt0) cc_final: 0.7748 (mt0) REVERT: R 385 PHE cc_start: 0.7587 (t80) cc_final: 0.7056 (t80) REVERT: R 388 MET cc_start: 0.7655 (mtp) cc_final: 0.7045 (mtp) REVERT: R 407 GLU cc_start: 0.7970 (mt-10) cc_final: 0.7495 (mt-10) REVERT: R 415 MET cc_start: 0.7867 (mmm) cc_final: 0.7508 (mmm) REVERT: R 423 GLN cc_start: 0.8208 (tp40) cc_final: 0.7605 (tp40) REVERT: a 12 MET cc_start: 0.4727 (mtt) cc_final: 0.4391 (mtt) REVERT: a 92 THR cc_start: 0.6502 (m) cc_final: 0.6256 (p) REVERT: a 95 MET cc_start: 0.5881 (mpp) cc_final: 0.5617 (mpp) REVERT: a 105 MET cc_start: 0.5081 (ptt) cc_final: 0.4691 (ppp) REVERT: a 171 ARG cc_start: 0.5426 (mtt180) cc_final: 0.5171 (mtt180) REVERT: a 228 TYR cc_start: 0.6339 (m-10) cc_final: 0.5480 (m-10) REVERT: a 250 GLU cc_start: 0.7029 (mm-30) cc_final: 0.6274 (mm-30) outliers start: 10 outliers final: 4 residues processed: 3169 average time/residue: 0.7927 time to fit residues: 4224.0207 Evaluate side-chains 2979 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 2975 time to evaluate : 6.898 ------------------------------------------------------------------------------- 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: 2.9990 chunk 714 optimal weight: 8.9990 chunk 492 optimal weight: 0.8980 chunk 105 optimal weight: 5.9990 chunk 453 optimal weight: 0.9990 chunk 637 optimal weight: 0.0670 chunk 953 optimal weight: 3.9990 chunk 1009 optimal weight: 5.9990 chunk 497 optimal weight: 2.9990 chunk 903 optimal weight: 9.9990 chunk 271 optimal weight: 7.9990 overall best weight: 1.5924 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 289 HIS Q 14 ASN Q 89 ASN Q 131 GLN Q 307 HIS Y 63 ASN Y 160 ASN Y 263 ASN ** Y 287 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 28 HIS ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 203 HIS A 307 GLN ** J 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 195 ASN J 307 HIS ** J 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 416 ASN J 424 GLN J 426 GLN ** B 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 289 HIS B 348 GLN K 14 ASN ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 335 ASN ** T 287 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 315 HIS L 348 ASN D 139 GLN D 289 HIS D 315 HIS ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 14 ASN M 190 HIS ** M 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 63 ASN ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 362 ASN N 14 ASN N 298 ASN F 15 GLN F 113 HIS ** F 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 239 GLN F 255 ASN F 262 GLN O 337 ASN O 348 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 60 GLN G 28 HIS ** G 232 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 289 HIS ** P 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 14 ASN P 131 GLN P 184 ASN P 227 HIS P 307 HIS P 329 GLN ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 28 HIS ** H 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 232 ASN H 348 GLN R 11 GLN ** R 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 256 ASN R 375 GLN R 426 GLN Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6478 moved from start: 0.4312 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.069 85860 Z= 0.180 Angle : 0.558 7.463 116442 Z= 0.282 Chirality : 0.043 0.297 12825 Planarity : 0.003 0.052 15075 Dihedral : 9.086 153.367 12231 Min Nonbonded Distance : 2.091 Molprobity Statistics. All-atom Clashscore : 12.10 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.78 % Favored : 97.22 % Rotamer: Outliers : 0.08 % Allowed : 2.40 % Favored : 97.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -1.22 (0.08), residues: 10530 helix: -0.35 (0.08), residues: 4176 sheet: -0.93 (0.12), residues: 1719 loop : -1.05 (0.09), residues: 4635 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.002 TRP C 352 HIS 0.011 0.001 HIS F 94 PHE 0.030 0.001 PHE D 147 TYR 0.023 0.001 TYR J 106 ARG 0.007 0.000 ARG M 162 *********************** 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 3241 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 3234 time to evaluate : 7.022 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: I 8 HIS cc_start: 0.7174 (m90) cc_final: 0.6841 (m90) REVERT: I 22 GLU cc_start: 0.8208 (pt0) cc_final: 0.7801 (pt0) REVERT: I 70 ARG cc_start: 0.7606 (mtt-85) cc_final: 0.7263 (mtt90) REVERT: I 74 VAL cc_start: 0.7423 (m) cc_final: 0.7141 (p) REVERT: I 89 TYR cc_start: 0.6251 (m-80) cc_final: 0.5671 (m-80) REVERT: I 91 GLN cc_start: 0.7762 (mp10) cc_final: 0.6672 (mp10) REVERT: I 96 GLU cc_start: 0.7887 (tt0) cc_final: 0.7649 (pt0) REVERT: I 107 ASN cc_start: 0.6503 (m110) cc_final: 0.6097 (m110) REVERT: I 108 ASN cc_start: 0.6690 (t0) cc_final: 0.6105 (t0) REVERT: I 116 ILE cc_start: 0.7649 (mm) cc_final: 0.7430 (mm) REVERT: I 144 PHE cc_start: 0.7546 (m-80) cc_final: 0.6842 (m-80) REVERT: I 158 LEU cc_start: 0.8289 (tp) cc_final: 0.8034 (tp) REVERT: I 192 ASN cc_start: 0.8485 (m-40) cc_final: 0.7759 (m-40) REVERT: I 194 ILE cc_start: 0.8331 (tt) cc_final: 0.8086 (tt) REVERT: I 196 THR cc_start: 0.8487 (t) cc_final: 0.7729 (m) REVERT: I 197 THR cc_start: 0.8434 (p) cc_final: 0.8022 (t) REVERT: I 209 MET cc_start: 0.6994 (mpp) cc_final: 0.6733 (mpp) REVERT: I 217 ASP cc_start: 0.7452 (t0) cc_final: 0.7081 (t0) REVERT: I 255 ASN cc_start: 0.6935 (m110) cc_final: 0.6558 (m-40) REVERT: I 265 LEU cc_start: 0.7818 (mp) cc_final: 0.7370 (mm) REVERT: I 306 ASN cc_start: 0.8149 (t0) cc_final: 0.7873 (t0) REVERT: I 310 LYS cc_start: 0.7788 (mtpt) cc_final: 0.7323 (mtpt) REVERT: I 322 CYS cc_start: 0.6335 (p) cc_final: 0.6041 (p) REVERT: I 344 LYS cc_start: 0.8199 (ttpt) cc_final: 0.7856 (ttpt) REVERT: I 358 LYS cc_start: 0.7287 (tptt) cc_final: 0.6446 (tppt) REVERT: I 362 ASN cc_start: 0.8130 (t0) cc_final: 0.7852 (t0) REVERT: I 383 MET cc_start: 0.7034 (tpt) cc_final: 0.6384 (tpt) REVERT: I 386 ASN cc_start: 0.6718 (t0) cc_final: 0.6418 (t0) REVERT: I 401 PHE cc_start: 0.7605 (t80) cc_final: 0.7077 (t80) REVERT: I 407 LYS cc_start: 0.8379 (mmmt) cc_final: 0.7786 (mttm) REVERT: I 408 ARG cc_start: 0.8096 (mmt-90) cc_final: 0.7849 (mmt180) REVERT: I 410 PHE cc_start: 0.8732 (m-80) cc_final: 0.8392 (m-10) REVERT: I 440 GLU cc_start: 0.8190 (tt0) cc_final: 0.7841 (tt0) REVERT: Q 14 ASN cc_start: 0.8604 (m110) cc_final: 0.8184 (m110) REVERT: Q 46 ARG cc_start: 0.8181 (tpp80) cc_final: 0.7842 (tpp80) REVERT: Q 73 MET cc_start: 0.8595 (mmt) cc_final: 0.8014 (mmt) REVERT: Q 103 LYS cc_start: 0.7512 (mttt) cc_final: 0.6832 (mmmm) REVERT: Q 113 VAL cc_start: 0.8522 (p) cc_final: 0.8072 (t) REVERT: Q 122 LYS cc_start: 0.8024 (ptmm) cc_final: 0.7721 (ptmm) REVERT: Q 143 THR cc_start: 0.8125 (t) cc_final: 0.7391 (t) REVERT: Q 147 MET cc_start: 0.6099 (tmm) cc_final: 0.5513 (tmm) REVERT: Q 149 THR cc_start: 0.8648 (p) cc_final: 0.8350 (p) REVERT: Q 150 LEU cc_start: 0.8207 (tt) cc_final: 0.7851 (mm) REVERT: Q 160 PRO cc_start: 0.8417 (Cg_endo) cc_final: 0.8151 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6025 (mmt-90) cc_final: 0.5478 (mmt-90) REVERT: Q 190 HIS cc_start: 0.7802 (t70) cc_final: 0.7203 (t-90) REVERT: Q 192 LEU cc_start: 0.8248 (mt) cc_final: 0.7671 (mt) REVERT: Q 205 GLU cc_start: 0.7781 (tp30) cc_final: 0.7479 (tp30) REVERT: Q 227 HIS cc_start: 0.7722 (t70) cc_final: 0.7232 (m-70) REVERT: Q 240 LEU cc_start: 0.8011 (pp) cc_final: 0.7562 (pp) REVERT: Q 257 MET cc_start: 0.6857 (mmm) cc_final: 0.6416 (mmm) REVERT: Q 264 HIS cc_start: 0.7462 (p-80) cc_final: 0.6716 (p-80) REVERT: Q 276 ARG cc_start: 0.7145 (tpm170) cc_final: 0.6136 (tpm170) REVERT: Q 280 GLN cc_start: 0.7963 (mp-120) cc_final: 0.7305 (mp10) REVERT: Q 290 THR cc_start: 0.8324 (m) cc_final: 0.7726 (t) REVERT: Q 293 MET cc_start: 0.7671 (mtp) cc_final: 0.6894 (mtp) REVERT: Q 295 ASP cc_start: 0.8073 (t70) cc_final: 0.7651 (t0) REVERT: Q 296 SER cc_start: 0.8365 (m) cc_final: 0.7932 (t) REVERT: Q 297 LYS cc_start: 0.7823 (ttmt) cc_final: 0.7432 (ttmt) REVERT: Q 307 HIS cc_start: 0.7715 (m90) cc_final: 0.7490 (m-70) REVERT: Q 321 MET cc_start: 0.7654 (ptp) cc_final: 0.7083 (ptp) REVERT: Q 332 ASN cc_start: 0.6914 (p0) cc_final: 0.6668 (p0) REVERT: Q 335 ASN cc_start: 0.7187 (m110) cc_final: 0.6830 (m110) REVERT: Q 337 ASN cc_start: 0.7803 (m110) cc_final: 0.7073 (m-40) REVERT: Q 340 TYR cc_start: 0.7303 (m-80) cc_final: 0.6777 (m-80) REVERT: Q 354 CYS cc_start: 0.7817 (t) cc_final: 0.7608 (t) REVERT: Q 367 PHE cc_start: 0.7478 (t80) cc_final: 0.7240 (t80) REVERT: Q 375 GLN cc_start: 0.7802 (pt0) cc_final: 0.7596 (pt0) REVERT: Q 379 LYS cc_start: 0.8663 (ptpt) cc_final: 0.8239 (pttt) REVERT: Q 383 GLU cc_start: 0.7566 (pp20) cc_final: 0.7222 (pp20) REVERT: Q 384 GLN cc_start: 0.8266 (mt0) cc_final: 0.8007 (mt0) REVERT: Q 385 PHE cc_start: 0.7663 (t80) cc_final: 0.7271 (t80) REVERT: Q 390 ARG cc_start: 0.7633 (ptt90) cc_final: 0.7243 (ptt90) REVERT: Q 392 LYS cc_start: 0.8044 (mtmm) cc_final: 0.7630 (mtmm) REVERT: Q 397 TRP cc_start: 0.7971 (m100) cc_final: 0.7434 (m100) REVERT: Q 401 GLU cc_start: 0.7963 (mm-30) cc_final: 0.7318 (mm-30) REVERT: Q 417 ASP cc_start: 0.7347 (m-30) cc_final: 0.7020 (t70) REVERT: Q 421 GLU cc_start: 0.7752 (tt0) cc_final: 0.7183 (tt0) REVERT: Y 8 ASN cc_start: 0.5397 (m110) cc_final: 0.5076 (m110) REVERT: Y 59 GLU cc_start: 0.7523 (tp30) cc_final: 0.7202 (tp30) REVERT: Y 92 THR cc_start: 0.7094 (p) cc_final: 0.6593 (p) REVERT: Y 98 LYS cc_start: 0.7077 (pttt) cc_final: 0.6833 (pttt) REVERT: Y 226 LYS cc_start: 0.6960 (mtmt) cc_final: 0.6440 (mtmt) REVERT: Y 256 LYS cc_start: 0.7769 (mmmt) cc_final: 0.6828 (mmmt) REVERT: Y 282 MET cc_start: 0.7867 (tpt) cc_final: 0.7335 (tpt) REVERT: Y 286 LEU cc_start: 0.7335 (mm) cc_final: 0.7119 (mm) REVERT: Y 311 GLU cc_start: 0.7305 (pp20) cc_final: 0.7008 (pp20) REVERT: Y 313 LYS cc_start: 0.8570 (mtmt) cc_final: 0.8287 (mtmt) REVERT: Y 316 LEU cc_start: 0.7458 (mt) cc_final: 0.7073 (mt) REVERT: Y 320 GLN cc_start: 0.7274 (mt0) cc_final: 0.6976 (mm-40) REVERT: A 16 ILE cc_start: 0.8020 (mt) cc_final: 0.7759 (mm) REVERT: A 22 GLU cc_start: 0.7837 (pt0) cc_final: 0.7424 (pt0) REVERT: A 31 GLN cc_start: 0.7212 (tm-30) cc_final: 0.6862 (tm-30) REVERT: A 36 MET cc_start: 0.7993 (ttp) cc_final: 0.7542 (ttm) REVERT: A 77 GLU cc_start: 0.6686 (pt0) cc_final: 0.6346 (pt0) REVERT: A 82 ASP cc_start: 0.8155 (p0) cc_final: 0.7914 (p0) REVERT: A 91 GLN cc_start: 0.7539 (mp10) cc_final: 0.7033 (mp10) REVERT: A 93 PHE cc_start: 0.7224 (m-80) cc_final: 0.6478 (m-80) REVERT: A 96 GLU cc_start: 0.7845 (tt0) cc_final: 0.7440 (tt0) REVERT: A 116 ILE cc_start: 0.7666 (mm) cc_final: 0.7406 (mm) REVERT: A 142 LEU cc_start: 0.7818 (pt) cc_final: 0.7234 (pt) REVERT: A 144 PHE cc_start: 0.7118 (m-80) cc_final: 0.6756 (m-80) REVERT: A 155 PHE cc_start: 0.8118 (t80) cc_final: 0.7538 (t80) REVERT: A 172 LYS cc_start: 0.7609 (mtmm) cc_final: 0.7239 (mtmm) REVERT: A 174 GLU cc_start: 0.6504 (mp0) cc_final: 0.5840 (mp0) REVERT: A 193 SER cc_start: 0.8407 (t) cc_final: 0.8115 (t) REVERT: A 195 LEU cc_start: 0.8186 (mt) cc_final: 0.7852 (mt) REVERT: A 217 ASP cc_start: 0.7843 (t0) cc_final: 0.7225 (t0) REVERT: A 233 LEU cc_start: 0.8583 (mp) cc_final: 0.8085 (tt) REVERT: A 235 ARG cc_start: 0.8298 (tpp80) cc_final: 0.8036 (tpp80) REVERT: A 241 VAL cc_start: 0.8313 (t) cc_final: 0.7990 (p) REVERT: A 259 THR cc_start: 0.8133 (p) cc_final: 0.7673 (p) REVERT: A 312 ASP cc_start: 0.7061 (t0) cc_final: 0.6678 (t70) REVERT: A 318 TYR cc_start: 0.6559 (m-10) cc_final: 0.6284 (m-10) REVERT: A 319 MET cc_start: 0.6091 (mmm) cc_final: 0.5620 (mmm) REVERT: A 322 CYS cc_start: 0.6068 (p) cc_final: 0.5629 (p) REVERT: A 348 GLN cc_start: 0.6290 (mp-120) cc_final: 0.5908 (mp-120) REVERT: A 351 ASP cc_start: 0.8040 (p0) cc_final: 0.7562 (p0) REVERT: A 358 LYS cc_start: 0.7107 (tmtt) cc_final: 0.6752 (mmtt) REVERT: A 383 MET cc_start: 0.6480 (tpt) cc_final: 0.5705 (tpt) REVERT: A 384 LEU cc_start: 0.7594 (mm) cc_final: 0.6767 (mm) REVERT: A 385 SER cc_start: 0.7722 (m) cc_final: 0.6996 (p) REVERT: A 390 ILE cc_start: 0.7470 (tp) cc_final: 0.7089 (tp) REVERT: A 401 PHE cc_start: 0.8124 (t80) cc_final: 0.7761 (t80) REVERT: A 408 ARG cc_start: 0.7797 (mmt-90) cc_final: 0.7405 (mmm160) REVERT: A 410 PHE cc_start: 0.8229 (m-80) cc_final: 0.7900 (m-10) REVERT: A 440 GLU cc_start: 0.8177 (tt0) cc_final: 0.7886 (tt0) REVERT: J 20 PHE cc_start: 0.8578 (t80) cc_final: 0.8359 (t80) REVERT: J 22 GLU cc_start: 0.8385 (mt-10) cc_final: 0.8000 (mt-10) REVERT: J 24 ILE cc_start: 0.8643 (pt) cc_final: 0.8415 (pt) REVERT: J 58 LYS cc_start: 0.7386 (tttt) cc_final: 0.7116 (tttt) REVERT: J 69 GLU cc_start: 0.7471 (mm-30) cc_final: 0.7122 (mm-30) REVERT: J 73 MET cc_start: 0.8486 (mmt) cc_final: 0.7619 (mmt) REVERT: J 106 TYR cc_start: 0.7646 (m-80) cc_final: 0.7304 (m-80) REVERT: J 122 LYS cc_start: 0.8318 (ptmm) cc_final: 0.7978 (ptpt) REVERT: J 123 GLU cc_start: 0.8206 (mm-30) cc_final: 0.7682 (mm-30) REVERT: J 126 SER cc_start: 0.8178 (p) cc_final: 0.7894 (p) REVERT: J 129 CYS cc_start: 0.8098 (t) cc_final: 0.7480 (t) REVERT: J 134 GLN cc_start: 0.6513 (tt0) cc_final: 0.6177 (mt0) REVERT: J 147 MET cc_start: 0.6211 (tmm) cc_final: 0.5724 (tmm) REVERT: J 157 GLU cc_start: 0.7822 (pt0) cc_final: 0.7317 (pt0) REVERT: J 164 MET cc_start: 0.7888 (mmm) cc_final: 0.7676 (mmm) REVERT: J 208 TYR cc_start: 0.7742 (m-80) cc_final: 0.7416 (m-80) REVERT: J 233 MET cc_start: 0.8046 (mtp) cc_final: 0.7798 (mtp) REVERT: J 253 LEU cc_start: 0.8588 (mp) cc_final: 0.8181 (mm) REVERT: J 257 MET cc_start: 0.6671 (mmm) cc_final: 0.6268 (mmm) REVERT: J 265 PHE cc_start: 0.8366 (m-80) cc_final: 0.7904 (m-80) REVERT: J 270 PHE cc_start: 0.7043 (t80) cc_final: 0.6622 (t80) REVERT: J 273 LEU cc_start: 0.8179 (mt) cc_final: 0.7869 (mt) REVERT: J 292 GLN cc_start: 0.7486 (tt0) cc_final: 0.6867 (tm-30) REVERT: J 300 MET cc_start: 0.7904 (mtm) cc_final: 0.6695 (mpp) REVERT: J 326 VAL cc_start: 0.8825 (t) cc_final: 0.8237 (t) REVERT: J 330 MET cc_start: 0.7233 (ppp) cc_final: 0.6811 (ppp) REVERT: J 355 ASP cc_start: 0.7758 (m-30) cc_final: 0.7333 (m-30) REVERT: J 367 PHE cc_start: 0.7610 (t80) cc_final: 0.7035 (t80) REVERT: J 375 GLN cc_start: 0.8387 (pp30) cc_final: 0.7908 (pp30) REVERT: J 384 GLN cc_start: 0.8554 (mt0) cc_final: 0.7855 (mm-40) REVERT: J 388 MET cc_start: 0.7987 (mtp) cc_final: 0.7661 (mtp) REVERT: J 389 PHE cc_start: 0.8150 (t80) cc_final: 0.7882 (t80) REVERT: J 395 LEU cc_start: 0.8426 (mt) cc_final: 0.8105 (mt) REVERT: J 404 ASP cc_start: 0.6201 (t70) cc_final: 0.5992 (t70) REVERT: J 406 MET cc_start: 0.7772 (mmm) cc_final: 0.7428 (mmm) REVERT: J 417 ASP cc_start: 0.6772 (m-30) cc_final: 0.6530 (m-30) REVERT: J 421 GLU cc_start: 0.7511 (tt0) cc_final: 0.7221 (mm-30) REVERT: S 19 ASN cc_start: 0.6677 (m110) cc_final: 0.6236 (m110) REVERT: S 49 ASP cc_start: 0.5483 (m-30) cc_final: 0.5089 (m-30) REVERT: S 56 THR cc_start: 0.5851 (m) cc_final: 0.5522 (p) REVERT: S 62 TYR cc_start: 0.3663 (t80) cc_final: 0.3393 (t80) REVERT: S 108 ILE cc_start: 0.6594 (pt) cc_final: 0.6180 (pt) REVERT: S 116 PHE cc_start: 0.5991 (m-80) cc_final: 0.5691 (m-10) REVERT: S 177 ASP cc_start: 0.7530 (t0) cc_final: 0.7319 (t0) REVERT: S 211 ASN cc_start: 0.6040 (t0) cc_final: 0.5621 (t0) REVERT: S 228 TYR cc_start: 0.6648 (m-10) cc_final: 0.5946 (m-10) REVERT: S 249 ASP cc_start: 0.6667 (m-30) cc_final: 0.6325 (m-30) REVERT: S 256 LYS cc_start: 0.8414 (mmmt) cc_final: 0.8151 (mmmt) REVERT: B 3 GLU cc_start: 0.5476 (mp0) cc_final: 0.5158 (mp0) REVERT: B 15 GLN cc_start: 0.7664 (tt0) cc_final: 0.7167 (mm-40) REVERT: B 23 LEU cc_start: 0.8518 (tt) cc_final: 0.8123 (tt) REVERT: B 76 LEU cc_start: 0.6327 (mt) cc_final: 0.5655 (tp) REVERT: B 96 GLU cc_start: 0.7688 (tt0) cc_final: 0.7344 (tt0) REVERT: B 108 ASN cc_start: 0.6730 (t0) cc_final: 0.6340 (t0) REVERT: B 113 HIS cc_start: 0.8052 (t-170) cc_final: 0.7758 (t-170) REVERT: B 114 TYR cc_start: 0.8054 (m-80) cc_final: 0.7132 (m-80) REVERT: B 119 GLU cc_start: 0.7607 (pp20) cc_final: 0.7378 (pp20) REVERT: B 127 ARG cc_start: 0.8458 (mmm160) cc_final: 0.7789 (mmm-85) REVERT: B 142 LEU cc_start: 0.7491 (pt) cc_final: 0.7014 (pp) REVERT: B 144 PHE cc_start: 0.7221 (m-80) cc_final: 0.6800 (m-80) REVERT: B 163 LEU cc_start: 0.8642 (mm) cc_final: 0.8274 (mt) REVERT: B 169 LYS cc_start: 0.7831 (ptmm) cc_final: 0.7399 (ptmm) REVERT: B 193 SER cc_start: 0.8325 (m) cc_final: 0.8039 (p) REVERT: B 220 ARG cc_start: 0.7342 (tmm-80) cc_final: 0.6720 (tmm-80) REVERT: B 235 ARG cc_start: 0.7744 (mtt-85) cc_final: 0.7099 (ttm110) REVERT: B 239 GLN cc_start: 0.7708 (tp-100) cc_final: 0.7457 (tp-100) REVERT: B 308 MET cc_start: 0.7664 (mmt) cc_final: 0.7437 (mmt) REVERT: B 310 LYS cc_start: 0.7870 (mtpt) cc_final: 0.7352 (mtpt) REVERT: B 319 MET cc_start: 0.6660 (mmm) cc_final: 0.6390 (mmm) REVERT: B 344 LYS cc_start: 0.8290 (ttpt) cc_final: 0.7863 (ttpt) REVERT: B 350 VAL cc_start: 0.7794 (p) cc_final: 0.7305 (t) REVERT: B 351 ASP cc_start: 0.7275 (p0) cc_final: 0.6277 (p0) REVERT: B 352 TRP cc_start: 0.5612 (m-90) cc_final: 0.4780 (m-90) REVERT: B 379 ARG cc_start: 0.7899 (ptp90) cc_final: 0.7592 (mtm-85) REVERT: B 401 PHE cc_start: 0.7482 (t80) cc_final: 0.6800 (t80) REVERT: B 407 LYS cc_start: 0.8583 (mmmt) cc_final: 0.8359 (mmmt) REVERT: B 410 PHE cc_start: 0.8456 (m-80) cc_final: 0.7924 (m-80) REVERT: B 417 GLU cc_start: 0.6240 (tm-30) cc_final: 0.5981 (tm-30) REVERT: B 426 GLU cc_start: 0.7138 (tp30) cc_final: 0.6504 (tp30) REVERT: B 430 ASP cc_start: 0.7706 (t0) cc_final: 0.7383 (t0) REVERT: K 3 GLU cc_start: 0.7071 (mp0) cc_final: 0.6032 (mp0) REVERT: K 4 ILE cc_start: 0.8256 (mp) cc_final: 0.8010 (mp) REVERT: K 20 PHE cc_start: 0.8558 (t80) cc_final: 0.8240 (t80) REVERT: K 22 GLU cc_start: 0.8423 (mt-10) cc_final: 0.8065 (mt-10) REVERT: K 24 ILE cc_start: 0.9078 (pt) cc_final: 0.8809 (pt) REVERT: K 47 ILE cc_start: 0.8342 (tt) cc_final: 0.7986 (tt) REVERT: K 58 LYS cc_start: 0.7834 (mmmm) cc_final: 0.7346 (mmmm) REVERT: K 59 TYR cc_start: 0.6840 (m-80) cc_final: 0.6472 (m-80) REVERT: K 73 MET cc_start: 0.8525 (mmt) cc_final: 0.7315 (mmt) REVERT: K 123 GLU cc_start: 0.8480 (mm-30) cc_final: 0.8256 (mm-30) REVERT: K 131 GLN cc_start: 0.6634 (tp-100) cc_final: 0.5853 (tp-100) REVERT: K 139 LEU cc_start: 0.6958 (mp) cc_final: 0.6741 (mp) REVERT: K 152 ILE cc_start: 0.8374 (mm) cc_final: 0.7984 (mm) REVERT: K 153 SER cc_start: 0.7441 (p) cc_final: 0.6938 (t) REVERT: K 164 MET cc_start: 0.7548 (tpt) cc_final: 0.7225 (mmm) REVERT: K 187 LEU cc_start: 0.8268 (mt) cc_final: 0.7744 (mt) REVERT: K 194 GLU cc_start: 0.7163 (pt0) cc_final: 0.6956 (pt0) REVERT: K 213 ARG cc_start: 0.6172 (mtm180) cc_final: 0.5601 (mtm-85) REVERT: K 233 MET cc_start: 0.8168 (mtm) cc_final: 0.7848 (mtm) REVERT: K 240 LEU cc_start: 0.8291 (pt) cc_final: 0.7349 (mp) REVERT: K 250 LEU cc_start: 0.6953 (mm) cc_final: 0.6589 (mm) REVERT: K 257 MET cc_start: 0.7489 (mmm) cc_final: 0.7001 (mmm) REVERT: K 263 LEU cc_start: 0.8276 (mt) cc_final: 0.7883 (mt) REVERT: K 264 HIS cc_start: 0.7500 (p-80) cc_final: 0.6751 (p90) REVERT: K 280 GLN cc_start: 0.8045 (mp10) cc_final: 0.7756 (mp10) REVERT: K 290 THR cc_start: 0.7415 (m) cc_final: 0.6582 (m) REVERT: K 293 MET cc_start: 0.7632 (mtp) cc_final: 0.6874 (mtp) REVERT: K 321 MET cc_start: 0.7647 (pmm) cc_final: 0.6863 (pmm) REVERT: K 323 MET cc_start: 0.7571 (mmp) cc_final: 0.7191 (mmp) REVERT: K 324 LYS cc_start: 0.8061 (ttpt) cc_final: 0.7745 (ttpp) REVERT: K 325 GLU cc_start: 0.8364 (mt-10) cc_final: 0.7750 (mt-10) REVERT: K 327 ASP cc_start: 0.7229 (m-30) cc_final: 0.6239 (m-30) REVERT: K 330 MET cc_start: 0.6853 (ppp) cc_final: 0.6367 (ppp) REVERT: K 335 ASN cc_start: 0.7008 (m110) cc_final: 0.6763 (m-40) REVERT: K 367 PHE cc_start: 0.7109 (t80) cc_final: 0.6655 (t80) REVERT: K 374 ILE cc_start: 0.8246 (tp) cc_final: 0.7966 (tp) REVERT: K 375 GLN cc_start: 0.8661 (pt0) cc_final: 0.7497 (pt0) REVERT: K 376 GLU cc_start: 0.8071 (mm-30) cc_final: 0.7093 (mm-30) REVERT: K 379 LYS cc_start: 0.8521 (ptpt) cc_final: 0.7984 (ptpt) REVERT: K 380 ARG cc_start: 0.8108 (ptm-80) cc_final: 0.7733 (ptm-80) REVERT: K 386 THR cc_start: 0.8620 (m) cc_final: 0.8416 (p) REVERT: K 401 GLU cc_start: 0.7446 (mm-30) cc_final: 0.7192 (mm-30) REVERT: K 408 PHE cc_start: 0.8119 (m-80) cc_final: 0.7512 (m-80) REVERT: K 414 ASN cc_start: 0.8591 (m-40) cc_final: 0.8196 (m-40) REVERT: K 415 MET cc_start: 0.8311 (mmm) cc_final: 0.7347 (mmm) REVERT: K 422 TYR cc_start: 0.7947 (m-80) cc_final: 0.7238 (m-80) REVERT: T 12 MET cc_start: 0.5607 (mtt) cc_final: 0.5240 (mtt) REVERT: T 34 GLN cc_start: 0.7529 (mp10) cc_final: 0.7303 (mp10) REVERT: T 44 LYS cc_start: 0.6771 (pttm) cc_final: 0.6476 (pttm) REVERT: T 105 MET cc_start: 0.5539 (ptt) cc_final: 0.4911 (ppp) REVERT: T 125 ASN cc_start: 0.7721 (p0) cc_final: 0.7079 (t0) REVERT: T 217 THR cc_start: 0.5397 (p) cc_final: 0.4892 (p) REVERT: T 221 GLN cc_start: 0.6300 (pp30) cc_final: 0.5973 (pp30) REVERT: T 250 GLU cc_start: 0.6910 (mm-30) cc_final: 0.6438 (mm-30) REVERT: T 256 LYS cc_start: 0.7470 (mmmt) cc_final: 0.7079 (mmmt) REVERT: T 287 GLN cc_start: 0.8092 (pp30) cc_final: 0.7873 (pp30) REVERT: T 308 ASN cc_start: 0.7139 (p0) cc_final: 0.6421 (p0) REVERT: T 313 LYS cc_start: 0.8107 (mtmt) cc_final: 0.7782 (mtmt) REVERT: C 3 GLU cc_start: 0.6779 (pt0) cc_final: 0.6163 (pt0) REVERT: C 83 GLU cc_start: 0.7092 (pm20) cc_final: 0.6811 (pm20) REVERT: C 96 GLU cc_start: 0.8147 (tt0) cc_final: 0.7895 (pp20) REVERT: C 108 ASN cc_start: 0.6663 (t0) cc_final: 0.6216 (t0) REVERT: C 119 GLU cc_start: 0.7649 (pp20) cc_final: 0.7277 (pp20) REVERT: C 161 GLU cc_start: 0.8338 (pt0) cc_final: 0.8137 (pt0) REVERT: C 169 LYS cc_start: 0.7854 (ptmm) cc_final: 0.7487 (ptmm) REVERT: C 172 LYS cc_start: 0.7541 (mtmm) cc_final: 0.7217 (mtmm) REVERT: C 192 ASN cc_start: 0.8495 (m-40) cc_final: 0.7726 (m-40) REVERT: C 222 ASN cc_start: 0.8045 (m-40) cc_final: 0.7735 (m110) REVERT: C 227 ARG cc_start: 0.7216 (mtm-85) cc_final: 0.6729 (mmm-85) REVERT: C 232 ASN cc_start: 0.8231 (m-40) cc_final: 0.7980 (p0) REVERT: C 233 LEU cc_start: 0.8549 (mp) cc_final: 0.8218 (tp) REVERT: C 235 ARG cc_start: 0.7790 (mtt-85) cc_final: 0.7210 (mmm-85) REVERT: C 256 VAL cc_start: 0.7955 (m) cc_final: 0.7671 (m) REVERT: C 263 THR cc_start: 0.8350 (p) cc_final: 0.8035 (t) REVERT: C 265 LEU cc_start: 0.7506 (mp) cc_final: 0.7075 (mp) REVERT: C 290 GLU cc_start: 0.7700 (tp30) cc_final: 0.7335 (tp30) REVERT: C 306 ASN cc_start: 0.8299 (t0) cc_final: 0.7992 (t0) REVERT: C 311 CYS cc_start: 0.7990 (m) cc_final: 0.7139 (p) REVERT: C 319 MET cc_start: 0.6869 (mmm) cc_final: 0.5981 (mmm) REVERT: C 348 GLN cc_start: 0.7233 (tm-30) cc_final: 0.6979 (tm-30) REVERT: C 349 PHE cc_start: 0.6861 (m-80) cc_final: 0.6584 (m-80) REVERT: C 358 LYS cc_start: 0.7298 (tptt) cc_final: 0.6466 (tptt) REVERT: C 361 ILE cc_start: 0.7248 (mp) cc_final: 0.7009 (mm) REVERT: C 362 ASN cc_start: 0.7872 (t0) cc_final: 0.7541 (t0) REVERT: C 376 LYS cc_start: 0.7642 (tmtt) cc_final: 0.7291 (tmtt) REVERT: C 378 GLN cc_start: 0.8138 (mm-40) cc_final: 0.7324 (mm-40) REVERT: C 379 ARG cc_start: 0.7816 (ptp90) cc_final: 0.7506 (mtm-85) REVERT: C 383 MET cc_start: 0.7002 (tpt) cc_final: 0.6572 (tpt) REVERT: C 386 ASN cc_start: 0.6486 (t0) cc_final: 0.6066 (t0) REVERT: C 400 LYS cc_start: 0.7044 (ptpt) cc_final: 0.6442 (pttm) REVERT: C 401 PHE cc_start: 0.7576 (t80) cc_final: 0.7012 (t80) REVERT: C 404 MET cc_start: 0.7245 (mtm) cc_final: 0.6661 (mtm) REVERT: C 407 LYS cc_start: 0.8176 (mmmt) cc_final: 0.7889 (mmmm) REVERT: C 410 PHE cc_start: 0.8401 (m-80) cc_final: 0.7615 (m-80) REVERT: C 419 MET cc_start: 0.7401 (mmp) cc_final: 0.6609 (mmm) REVERT: C 426 GLU cc_start: 0.7299 (tp30) cc_final: 0.6614 (tp30) REVERT: C 430 ASP cc_start: 0.7792 (t0) cc_final: 0.7429 (t0) REVERT: C 440 GLU cc_start: 0.8077 (tt0) cc_final: 0.7545 (pt0) REVERT: L 2 ARG cc_start: 0.8208 (mtm110) cc_final: 0.7588 (mtm180) REVERT: L 4 ILE cc_start: 0.8329 (mp) cc_final: 0.7947 (mp) REVERT: L 22 GLU cc_start: 0.8538 (mt-10) cc_final: 0.8195 (mt-10) REVERT: L 24 ILE cc_start: 0.9076 (pt) cc_final: 0.8726 (pt) REVERT: L 45 GLU cc_start: 0.8093 (pp20) cc_final: 0.7597 (pp20) REVERT: L 46 ARG cc_start: 0.8335 (mmt180) cc_final: 0.8008 (tpp80) REVERT: L 53 GLU cc_start: 0.7569 (tp30) cc_final: 0.6416 (tp30) REVERT: L 58 LYS cc_start: 0.8078 (tttt) cc_final: 0.7703 (tttt) REVERT: L 59 TYR cc_start: 0.6472 (m-80) cc_final: 0.6019 (m-80) REVERT: L 62 ARG cc_start: 0.7618 (ttm-80) cc_final: 0.6725 (ttm-80) REVERT: L 66 VAL cc_start: 0.8018 (m) cc_final: 0.7524 (p) REVERT: L 69 GLU cc_start: 0.7483 (tp30) cc_final: 0.7252 (tp30) REVERT: L 73 MET cc_start: 0.8411 (mmt) cc_final: 0.7523 (mmt) REVERT: L 108 GLU cc_start: 0.6426 (mp0) cc_final: 0.5862 (mp0) REVERT: L 121 ARG cc_start: 0.7851 (mmm-85) cc_final: 0.7622 (mmm-85) REVERT: L 123 GLU cc_start: 0.8117 (mm-30) cc_final: 0.7820 (tp30) REVERT: L 139 LEU cc_start: 0.6899 (mp) cc_final: 0.6043 (mp) REVERT: L 147 MET cc_start: 0.6654 (tmm) cc_final: 0.6311 (tmm) REVERT: L 155 ILE cc_start: 0.8338 (mt) cc_final: 0.8060 (tp) REVERT: L 164 MET cc_start: 0.7800 (tpp) cc_final: 0.7503 (mmm) REVERT: L 184 ASN cc_start: 0.7801 (m-40) cc_final: 0.7520 (m-40) REVERT: L 187 LEU cc_start: 0.8799 (mt) cc_final: 0.8343 (mt) REVERT: L 194 GLU cc_start: 0.7353 (pt0) cc_final: 0.6981 (pt0) REVERT: L 224 ASP cc_start: 0.7118 (m-30) cc_final: 0.6888 (m-30) REVERT: L 241 ARG cc_start: 0.7551 (mtm110) cc_final: 0.7025 (mtm110) REVERT: L 245 GLN cc_start: 0.7222 (mm-40) cc_final: 0.6466 (mm-40) REVERT: L 257 MET cc_start: 0.8086 (mmm) cc_final: 0.7601 (tpp) REVERT: L 264 HIS cc_start: 0.7472 (p-80) cc_final: 0.7032 (p-80) REVERT: L 265 PHE cc_start: 0.8378 (m-80) cc_final: 0.7128 (m-80) REVERT: L 276 ARG cc_start: 0.6850 (tpm170) cc_final: 0.6313 (tpm170) REVERT: L 279 GLN cc_start: 0.7180 (tp40) cc_final: 0.6769 (tp40) REVERT: L 293 MET cc_start: 0.7565 (mtp) cc_final: 0.7037 (mtp) REVERT: L 295 ASP cc_start: 0.8296 (t70) cc_final: 0.7273 (p0) REVERT: L 299 MET cc_start: 0.7615 (ppp) cc_final: 0.7084 (ppp) REVERT: L 321 MET cc_start: 0.7597 (ppp) cc_final: 0.7216 (ppp) REVERT: L 323 MET cc_start: 0.7859 (mmp) cc_final: 0.7413 (mmp) REVERT: L 324 LYS cc_start: 0.8029 (ttpt) cc_final: 0.7580 (ttpt) REVERT: L 325 GLU cc_start: 0.8041 (mt-10) cc_final: 0.7616 (mt-10) REVERT: L 327 ASP cc_start: 0.7777 (m-30) cc_final: 0.6695 (m-30) REVERT: L 330 MET cc_start: 0.6780 (ppp) cc_final: 0.6531 (ppp) REVERT: L 335 ASN cc_start: 0.7562 (m110) cc_final: 0.7203 (m110) REVERT: L 347 ASN cc_start: 0.7731 (t0) cc_final: 0.7183 (t0) REVERT: L 350 LYS cc_start: 0.8199 (tptp) cc_final: 0.7940 (tptp) REVERT: L 355 ASP cc_start: 0.7621 (m-30) cc_final: 0.6863 (m-30) REVERT: L 362 LYS cc_start: 0.7863 (mmmt) cc_final: 0.7520 (mmmm) REVERT: L 375 GLN cc_start: 0.8528 (pt0) cc_final: 0.7921 (pt0) REVERT: L 397 TRP cc_start: 0.8149 (m100) cc_final: 0.7782 (m-10) REVERT: L 404 ASP cc_start: 0.7299 (t0) cc_final: 0.7074 (t0) REVERT: L 408 PHE cc_start: 0.8141 (m-80) cc_final: 0.7471 (m-80) REVERT: L 414 ASN cc_start: 0.8227 (m-40) cc_final: 0.7786 (m-40) REVERT: L 421 GLU cc_start: 0.8168 (tt0) cc_final: 0.7248 (tt0) REVERT: L 422 TYR cc_start: 0.8147 (m-80) cc_final: 0.7498 (m-80) REVERT: U 32 LYS cc_start: 0.6680 (tttt) cc_final: 0.6469 (tttt) REVERT: U 44 LYS cc_start: 0.6524 (pttm) cc_final: 0.5953 (pttm) REVERT: U 46 TYR cc_start: 0.6430 (m-80) cc_final: 0.5694 (m-80) REVERT: U 59 GLU cc_start: 0.4414 (tp30) cc_final: 0.4058 (tp30) REVERT: U 105 MET cc_start: 0.5905 (ptt) cc_final: 0.5002 (ppp) REVERT: U 116 PHE cc_start: 0.5920 (m-10) cc_final: 0.5612 (m-10) REVERT: U 122 MET cc_start: 0.6439 (mtt) cc_final: 0.6169 (mtt) REVERT: U 180 MET cc_start: 0.6070 (mmp) cc_final: 0.5811 (mmp) REVERT: U 250 GLU cc_start: 0.6992 (mm-30) cc_final: 0.6620 (mm-30) REVERT: U 256 LYS cc_start: 0.7669 (mmmt) cc_final: 0.7254 (mmmm) REVERT: U 313 LYS cc_start: 0.7450 (mtmm) cc_final: 0.7229 (mtmm) REVERT: U 323 LYS cc_start: 0.7178 (tptm) cc_final: 0.6783 (tptm) REVERT: D 11 GLN cc_start: 0.5333 (tm-30) cc_final: 0.5093 (tm-30) REVERT: D 18 ASN cc_start: 0.7879 (p0) cc_final: 0.7634 (p0) REVERT: D 22 GLU cc_start: 0.8010 (pt0) cc_final: 0.7218 (pt0) REVERT: D 35 GLN cc_start: 0.7354 (pm20) cc_final: 0.6972 (pm20) REVERT: D 93 PHE cc_start: 0.6944 (m-80) cc_final: 0.6550 (m-80) REVERT: D 102 LYS cc_start: 0.7455 (tptp) cc_final: 0.6332 (tptp) REVERT: D 108 ASN cc_start: 0.6968 (t0) cc_final: 0.6395 (t0) REVERT: D 118 LYS cc_start: 0.8616 (mmtt) cc_final: 0.7967 (mmtt) REVERT: D 119 GLU cc_start: 0.7874 (pp20) cc_final: 0.7669 (pp20) REVERT: D 158 LEU cc_start: 0.8343 (tp) cc_final: 0.7973 (tp) REVERT: D 172 LYS cc_start: 0.7045 (mtmm) cc_final: 0.6332 (mtmm) REVERT: D 174 GLU cc_start: 0.6769 (mp0) cc_final: 0.5655 (mp0) REVERT: D 182 GLN cc_start: 0.7319 (pm20) cc_final: 0.6662 (pm20) REVERT: D 196 THR cc_start: 0.8359 (t) cc_final: 0.7827 (p) REVERT: D 197 THR cc_start: 0.8797 (m) cc_final: 0.8383 (t) REVERT: D 198 HIS cc_start: 0.8599 (t-90) cc_final: 0.8199 (t-90) REVERT: D 222 ASN cc_start: 0.8540 (m-40) cc_final: 0.8165 (m-40) REVERT: D 230 TYR cc_start: 0.6058 (m-10) cc_final: 0.5775 (m-10) REVERT: D 235 ARG cc_start: 0.7602 (mtt-85) cc_final: 0.7380 (tpp80) REVERT: D 255 ASN cc_start: 0.6869 (m-40) cc_final: 0.6593 (m-40) REVERT: D 265 LEU cc_start: 0.7736 (mp) cc_final: 0.7263 (mm) REVERT: D 270 ARG cc_start: 0.6870 (mmm-85) cc_final: 0.6612 (tpp80) REVERT: D 272 HIS cc_start: 0.6810 (p90) cc_final: 0.5912 (p90) REVERT: D 286 LYS cc_start: 0.8327 (mtpp) cc_final: 0.7911 (ttmt) REVERT: D 308 MET cc_start: 0.7863 (mmm) cc_final: 0.7415 (mtp) REVERT: D 317 LYS cc_start: 0.6245 (mttm) cc_final: 0.6044 (mttm) REVERT: D 319 MET cc_start: 0.6197 (mmm) cc_final: 0.5594 (mmm) REVERT: D 338 ILE cc_start: 0.8781 (pt) cc_final: 0.8558 (pt) REVERT: D 344 LYS cc_start: 0.8199 (ttpt) cc_final: 0.7711 (ttpt) REVERT: D 348 GLN cc_start: 0.7418 (pp30) cc_final: 0.6790 (pp30) REVERT: D 385 SER cc_start: 0.7561 (m) cc_final: 0.7265 (m) REVERT: D 390 ILE cc_start: 0.7984 (mm) cc_final: 0.7618 (mm) REVERT: D 401 PHE cc_start: 0.7427 (t80) cc_final: 0.7003 (t80) REVERT: D 407 LYS cc_start: 0.8694 (mmmt) cc_final: 0.8471 (mmmt) REVERT: D 408 ARG cc_start: 0.7968 (mmt-90) cc_final: 0.7610 (mpt180) REVERT: D 410 PHE cc_start: 0.8821 (m-80) cc_final: 0.8279 (m-80) REVERT: D 419 MET cc_start: 0.6627 (mmm) cc_final: 0.6256 (mmp) REVERT: D 440 GLU cc_start: 0.8034 (tt0) cc_final: 0.7719 (tt0) REVERT: M 3 GLU cc_start: 0.6692 (mp0) cc_final: 0.6377 (mp0) REVERT: M 14 ASN cc_start: 0.8483 (m110) cc_final: 0.8036 (m110) REVERT: M 22 GLU cc_start: 0.8357 (mt-10) cc_final: 0.7684 (mt-10) REVERT: M 26 ASP cc_start: 0.7725 (m-30) cc_final: 0.7453 (m-30) REVERT: M 47 ILE cc_start: 0.8102 (tt) cc_final: 0.7800 (tt) REVERT: M 59 TYR cc_start: 0.7963 (m-80) cc_final: 0.7603 (m-80) REVERT: M 62 ARG cc_start: 0.8104 (ptp-110) cc_final: 0.7673 (ptp-110) REVERT: M 73 MET cc_start: 0.8349 (mmt) cc_final: 0.7315 (mmt) REVERT: M 100 ASN cc_start: 0.7366 (t0) cc_final: 0.7141 (t0) REVERT: M 122 LYS cc_start: 0.8013 (ptmm) cc_final: 0.7625 (ptmm) REVERT: M 123 GLU cc_start: 0.7827 (mm-30) cc_final: 0.7603 (mm-30) REVERT: M 133 PHE cc_start: 0.6783 (m-80) cc_final: 0.5821 (m-80) REVERT: M 147 MET cc_start: 0.5804 (tmm) cc_final: 0.5174 (tmm) REVERT: M 157 GLU cc_start: 0.8504 (pt0) cc_final: 0.8236 (pt0) REVERT: M 179 VAL cc_start: 0.8464 (t) cc_final: 0.8177 (t) REVERT: M 181 GLU cc_start: 0.8262 (pt0) cc_final: 0.7651 (pt0) REVERT: M 184 ASN cc_start: 0.7926 (m-40) cc_final: 0.7169 (m-40) REVERT: M 192 LEU cc_start: 0.7798 (mt) cc_final: 0.7313 (mt) REVERT: M 204 ASN cc_start: 0.8466 (m-40) cc_final: 0.8234 (m-40) REVERT: M 224 ASP cc_start: 0.7400 (m-30) cc_final: 0.6978 (m-30) REVERT: M 270 PHE cc_start: 0.6937 (t80) cc_final: 0.6698 (t80) REVERT: M 276 ARG cc_start: 0.7134 (tpm170) cc_final: 0.6794 (tpm170) REVERT: M 286 VAL cc_start: 0.8840 (m) cc_final: 0.8594 (p) REVERT: M 292 GLN cc_start: 0.8172 (tt0) cc_final: 0.7917 (tt0) REVERT: M 293 MET cc_start: 0.7445 (mtm) cc_final: 0.7152 (mtm) REVERT: M 295 ASP cc_start: 0.8053 (t70) cc_final: 0.7650 (t70) REVERT: M 300 MET cc_start: 0.7318 (mtt) cc_final: 0.6731 (mmm) REVERT: M 323 MET cc_start: 0.7737 (mmp) cc_final: 0.7312 (mmp) REVERT: M 327 ASP cc_start: 0.7394 (m-30) cc_final: 0.6842 (m-30) REVERT: M 330 MET cc_start: 0.7473 (ppp) cc_final: 0.7007 (ppp) REVERT: M 337 ASN cc_start: 0.7581 (m-40) cc_final: 0.6805 (m-40) REVERT: M 340 TYR cc_start: 0.7308 (m-80) cc_final: 0.6520 (m-80) REVERT: M 344 TRP cc_start: 0.7162 (p-90) cc_final: 0.6772 (p-90) REVERT: M 353 VAL cc_start: 0.8176 (m) cc_final: 0.7827 (p) REVERT: M 383 GLU cc_start: 0.7624 (pp20) cc_final: 0.7282 (pp20) REVERT: M 384 GLN cc_start: 0.8213 (mt0) cc_final: 0.7611 (mt0) REVERT: M 388 MET cc_start: 0.7936 (mtp) cc_final: 0.7390 (mtp) REVERT: M 397 TRP cc_start: 0.7966 (m100) cc_final: 0.7645 (m100) REVERT: M 404 ASP cc_start: 0.8124 (t0) cc_final: 0.7910 (t70) REVERT: M 415 MET cc_start: 0.8053 (mmm) cc_final: 0.7326 (mmm) REVERT: M 421 GLU cc_start: 0.7436 (tt0) cc_final: 0.6866 (tt0) REVERT: V 12 MET cc_start: 0.6862 (mpp) cc_final: 0.6213 (mpp) REVERT: V 32 LYS cc_start: 0.7711 (tttt) cc_final: 0.7416 (tptt) REVERT: V 33 PHE cc_start: 0.6326 (m-80) cc_final: 0.5868 (m-80) REVERT: V 81 ILE cc_start: 0.6858 (mp) cc_final: 0.6495 (mp) REVERT: V 87 THR cc_start: 0.5916 (p) cc_final: 0.5519 (p) REVERT: V 197 MET cc_start: 0.6990 (tpt) cc_final: 0.6166 (tpt) REVERT: V 198 ASN cc_start: 0.5683 (t0) cc_final: 0.5317 (t0) REVERT: V 226 LYS cc_start: 0.7026 (mtmt) cc_final: 0.6726 (mtmt) REVERT: V 256 LYS cc_start: 0.8068 (mmmt) cc_final: 0.7310 (mmmt) REVERT: V 274 TYR cc_start: 0.5485 (t80) cc_final: 0.4293 (t80) REVERT: V 313 LYS cc_start: 0.8255 (mtmt) cc_final: 0.7908 (mtmt) REVERT: E 22 GLU cc_start: 0.7614 (pt0) cc_final: 0.7185 (pt0) REVERT: E 36 MET cc_start: 0.7760 (ttm) cc_final: 0.7252 (ttm) REVERT: E 61 GLU cc_start: 0.5201 (tm-30) cc_final: 0.4732 (tm-30) REVERT: E 70 ARG cc_start: 0.6800 (mtt90) cc_final: 0.6062 (mtt-85) REVERT: E 90 ARG cc_start: 0.6882 (mtm-85) cc_final: 0.6338 (mtm-85) REVERT: E 96 GLU cc_start: 0.7726 (tt0) cc_final: 0.7459 (tt0) REVERT: E 107 ASN cc_start: 0.6284 (m-40) cc_final: 0.5772 (m-40) REVERT: E 124 VAL cc_start: 0.9011 (m) cc_final: 0.8788 (p) REVERT: E 127 ARG cc_start: 0.7102 (mmm-85) cc_final: 0.5976 (tpt-90) REVERT: E 129 ARG cc_start: 0.7959 (ttm-80) cc_final: 0.7346 (ttm-80) REVERT: E 141 PHE cc_start: 0.7319 (m-80) cc_final: 0.6879 (m-10) REVERT: E 144 PHE cc_start: 0.7775 (m-80) cc_final: 0.7295 (m-80) REVERT: E 158 LEU cc_start: 0.8132 (tp) cc_final: 0.7827 (tp) REVERT: E 172 LYS cc_start: 0.8015 (mtmm) cc_final: 0.7749 (mtmm) REVERT: E 175 PHE cc_start: 0.7438 (m-10) cc_final: 0.7218 (m-80) REVERT: E 201 LEU cc_start: 0.8153 (tt) cc_final: 0.7744 (tt) REVERT: E 220 ARG cc_start: 0.7275 (tpp80) cc_final: 0.6861 (tpp80) REVERT: E 225 ILE cc_start: 0.6637 (mm) cc_final: 0.6257 (tp) REVERT: E 235 ARG cc_start: 0.8483 (tpp80) cc_final: 0.7918 (mmm-85) REVERT: E 241 VAL cc_start: 0.7924 (t) cc_final: 0.7698 (t) REVERT: E 244 ILE cc_start: 0.8512 (pt) cc_final: 0.8178 (tp) REVERT: E 245 THR cc_start: 0.7524 (m) cc_final: 0.5906 (m) REVERT: E 248 LEU cc_start: 0.8793 (mt) cc_final: 0.8474 (mm) REVERT: E 254 LEU cc_start: 0.7987 (tt) cc_final: 0.7699 (tt) REVERT: E 261 PHE cc_start: 0.7942 (m-80) cc_final: 0.7182 (m-80) REVERT: E 286 LYS cc_start: 0.8368 (mttp) cc_final: 0.8136 (mtpt) REVERT: E 306 ASN cc_start: 0.8058 (t0) cc_final: 0.6779 (t0) REVERT: E 319 MET cc_start: 0.6444 (mmm) cc_final: 0.5729 (mmm) REVERT: E 342 LYS cc_start: 0.8822 (mtpp) cc_final: 0.8518 (mtmm) REVERT: E 358 LYS cc_start: 0.7279 (tptp) cc_final: 0.6848 (tppt) REVERT: E 382 CYS cc_start: 0.7525 (t) cc_final: 0.7127 (t) REVERT: E 383 MET cc_start: 0.6763 (tpt) cc_final: 0.6065 (tpt) REVERT: E 384 LEU cc_start: 0.7232 (mm) cc_final: 0.7004 (mm) REVERT: E 401 PHE cc_start: 0.8390 (t80) cc_final: 0.7968 (t80) REVERT: E 431 MET cc_start: 0.8191 (tpp) cc_final: 0.7578 (ptt) REVERT: E 439 GLU cc_start: 0.7833 (pt0) cc_final: 0.7603 (pt0) REVERT: N 20 PHE cc_start: 0.8568 (t80) cc_final: 0.7830 (t80) REVERT: N 35 SER cc_start: 0.7019 (p) cc_final: 0.6692 (t) REVERT: N 83 GLN cc_start: 0.7664 (mm-40) cc_final: 0.6846 (mm-40) REVERT: N 94 GLN cc_start: 0.7426 (tm-30) cc_final: 0.7090 (tm-30) REVERT: N 106 TYR cc_start: 0.8073 (m-80) cc_final: 0.7450 (m-10) REVERT: N 122 LYS cc_start: 0.8483 (ptmm) cc_final: 0.8247 (ptmm) REVERT: N 123 GLU cc_start: 0.8305 (mm-30) cc_final: 0.7758 (tp30) REVERT: N 129 CYS cc_start: 0.7659 (t) cc_final: 0.7322 (t) REVERT: N 131 GLN cc_start: 0.6463 (tp-100) cc_final: 0.6061 (tp-100) REVERT: N 150 LEU cc_start: 0.8017 (tp) cc_final: 0.7710 (tt) REVERT: N 159 TYR cc_start: 0.8457 (m-80) cc_final: 0.8157 (m-10) REVERT: N 181 GLU cc_start: 0.7849 (pt0) cc_final: 0.7557 (pt0) REVERT: N 194 GLU cc_start: 0.6881 (pt0) cc_final: 0.6660 (pt0) REVERT: N 200 TYR cc_start: 0.7712 (m-80) cc_final: 0.6476 (m-80) REVERT: N 215 LEU cc_start: 0.7790 (tp) cc_final: 0.7559 (tp) REVERT: N 233 MET cc_start: 0.7839 (mtp) cc_final: 0.7087 (mtp) REVERT: N 238 THR cc_start: 0.7698 (p) cc_final: 0.7446 (t) REVERT: N 257 MET cc_start: 0.6830 (mmm) cc_final: 0.6174 (mmm) REVERT: N 264 HIS cc_start: 0.7910 (p-80) cc_final: 0.7387 (p-80) REVERT: N 265 PHE cc_start: 0.8487 (m-80) cc_final: 0.8128 (m-80) REVERT: N 267 MET cc_start: 0.7726 (mtt) cc_final: 0.7452 (mtt) REVERT: N 270 PHE cc_start: 0.7210 (t80) cc_final: 0.6783 (t80) REVERT: N 276 ARG cc_start: 0.7350 (tpm170) cc_final: 0.6322 (tpm170) REVERT: N 280 GLN cc_start: 0.8079 (mp10) cc_final: 0.7466 (mp10) REVERT: N 282 ARG cc_start: 0.7108 (ttt180) cc_final: 0.6825 (mmm-85) REVERT: N 290 THR cc_start: 0.8421 (m) cc_final: 0.7934 (p) REVERT: N 292 GLN cc_start: 0.7160 (tm-30) cc_final: 0.6854 (tm-30) REVERT: N 293 MET cc_start: 0.7853 (mtp) cc_final: 0.7505 (mtp) REVERT: N 295 ASP cc_start: 0.8148 (t70) cc_final: 0.7802 (t70) REVERT: N 299 MET cc_start: 0.6761 (ptt) cc_final: 0.6493 (ptt) REVERT: N 300 MET cc_start: 0.7535 (mtt) cc_final: 0.6719 (mpp) REVERT: N 309 ARG cc_start: 0.6399 (ptp-110) cc_final: 0.6019 (ptp-110) REVERT: N 327 ASP cc_start: 0.7523 (m-30) cc_final: 0.6862 (m-30) REVERT: N 340 TYR cc_start: 0.6670 (m-80) cc_final: 0.6139 (m-80) REVERT: N 350 LYS cc_start: 0.8359 (tptp) cc_final: 0.8076 (tptp) REVERT: N 388 MET cc_start: 0.7425 (mtp) cc_final: 0.6850 (mtp) REVERT: N 392 LYS cc_start: 0.7988 (mtmm) cc_final: 0.7519 (mtmm) REVERT: N 404 ASP cc_start: 0.7650 (t70) cc_final: 0.7296 (t70) REVERT: N 407 GLU cc_start: 0.7497 (mt-10) cc_final: 0.7233 (mt-10) REVERT: N 414 ASN cc_start: 0.8348 (m110) cc_final: 0.8116 (m110) REVERT: N 415 MET cc_start: 0.8286 (mmm) cc_final: 0.7810 (mmm) REVERT: N 422 TYR cc_start: 0.8953 (m-80) cc_final: 0.8730 (m-80) REVERT: W 39 VAL cc_start: 0.7791 (p) cc_final: 0.7343 (m) REVERT: W 40 VAL cc_start: 0.6549 (t) cc_final: 0.5995 (p) REVERT: W 64 ASP cc_start: 0.8077 (t0) cc_final: 0.7826 (t0) REVERT: W 92 THR cc_start: 0.6819 (m) cc_final: 0.6602 (p) REVERT: W 95 MET cc_start: 0.6597 (mpp) cc_final: 0.6171 (mpp) REVERT: W 103 GLU cc_start: 0.6670 (tp30) cc_final: 0.5947 (tp30) REVERT: W 155 VAL cc_start: 0.7606 (t) cc_final: 0.7388 (p) REVERT: W 198 ASN cc_start: 0.4432 (t0) cc_final: 0.4134 (t0) REVERT: W 228 TYR cc_start: 0.6475 (m-80) cc_final: 0.5469 (m-80) REVERT: W 249 ASP cc_start: 0.7281 (m-30) cc_final: 0.6904 (m-30) REVERT: W 265 ILE cc_start: 0.6855 (tt) cc_final: 0.6616 (tt) REVERT: W 309 GLU cc_start: 0.6727 (mt-10) cc_final: 0.6508 (mt-10) REVERT: W 313 LYS cc_start: 0.8752 (mtmt) cc_final: 0.8479 (mtmt) REVERT: F 11 GLN cc_start: 0.6504 (tp-100) cc_final: 0.6045 (tp-100) REVERT: F 74 VAL cc_start: 0.7606 (m) cc_final: 0.6895 (p) REVERT: F 83 GLU cc_start: 0.6621 (pm20) cc_final: 0.5991 (pm20) REVERT: F 108 ASN cc_start: 0.6582 (t0) cc_final: 0.6106 (t0) REVERT: F 114 TYR cc_start: 0.7838 (m-80) cc_final: 0.7243 (m-80) REVERT: F 119 GLU cc_start: 0.7721 (pp20) cc_final: 0.7328 (pp20) REVERT: F 125 LEU cc_start: 0.7964 (mm) cc_final: 0.7722 (mt) REVERT: F 155 PHE cc_start: 0.7860 (t80) cc_final: 0.7349 (t80) REVERT: F 169 LYS cc_start: 0.7463 (ptmm) cc_final: 0.7117 (ptmm) REVERT: F 192 ASN cc_start: 0.8259 (m-40) cc_final: 0.7577 (m-40) REVERT: F 235 ARG cc_start: 0.7301 (mtt-85) cc_final: 0.6625 (mmm160) REVERT: F 255 ASN cc_start: 0.6698 (m-40) cc_final: 0.6236 (m-40) REVERT: F 256 VAL cc_start: 0.7890 (m) cc_final: 0.7522 (m) REVERT: F 319 MET cc_start: 0.6830 (mmm) cc_final: 0.5845 (mmm) REVERT: F 340 THR cc_start: 0.8657 (p) cc_final: 0.8428 (m) REVERT: F 341 ILE cc_start: 0.8892 (mm) cc_final: 0.8682 (mm) REVERT: F 348 GLN cc_start: 0.7419 (tt0) cc_final: 0.7157 (tm-30) REVERT: F 376 LYS cc_start: 0.7756 (tmtt) cc_final: 0.7500 (tmtt) REVERT: F 382 CYS cc_start: 0.7994 (t) cc_final: 0.7455 (t) REVERT: F 383 MET cc_start: 0.7596 (tpt) cc_final: 0.7336 (tpt) REVERT: F 400 LYS cc_start: 0.6416 (ptpt) cc_final: 0.6105 (ptmt) REVERT: F 401 PHE cc_start: 0.7147 (t80) cc_final: 0.6765 (t80) REVERT: F 407 LYS cc_start: 0.8204 (tppp) cc_final: 0.7987 (tppp) REVERT: F 410 PHE cc_start: 0.8597 (m-80) cc_final: 0.8227 (m-80) REVERT: F 413 TRP cc_start: 0.7915 (m100) cc_final: 0.7480 (m100) REVERT: F 426 GLU cc_start: 0.7034 (tp30) cc_final: 0.6486 (tp30) REVERT: F 430 ASP cc_start: 0.7767 (t0) cc_final: 0.7078 (t0) REVERT: F 434 LEU cc_start: 0.7542 (mt) cc_final: 0.7062 (mm) REVERT: O 15 GLN cc_start: 0.8684 (mm110) cc_final: 0.8427 (mm-40) REVERT: O 40 SER cc_start: 0.7698 (t) cc_final: 0.7203 (p) REVERT: O 46 ARG cc_start: 0.8792 (mmm-85) cc_final: 0.8240 (mmm-85) REVERT: O 47 ILE cc_start: 0.8327 (tt) cc_final: 0.8101 (tt) REVERT: O 53 GLU cc_start: 0.7479 (tp30) cc_final: 0.6866 (tp30) REVERT: O 74 ASP cc_start: 0.7430 (m-30) cc_final: 0.7189 (m-30) REVERT: O 108 GLU cc_start: 0.5942 (mp0) cc_final: 0.5316 (mp0) REVERT: O 121 ARG cc_start: 0.7383 (mtt180) cc_final: 0.7017 (mtp-110) REVERT: O 122 LYS cc_start: 0.7886 (ptmm) cc_final: 0.7673 (ptmm) REVERT: O 131 GLN cc_start: 0.6578 (tp-100) cc_final: 0.6090 (tp-100) REVERT: O 147 MET cc_start: 0.6543 (tmm) cc_final: 0.6120 (tmm) REVERT: O 157 GLU cc_start: 0.8313 (pt0) cc_final: 0.8103 (pt0) REVERT: O 158 GLU cc_start: 0.7951 (tt0) cc_final: 0.7433 (tt0) REVERT: O 164 MET cc_start: 0.7608 (mmm) cc_final: 0.7362 (mmm) REVERT: O 165 ASN cc_start: 0.7271 (m-40) cc_final: 0.6780 (m-40) REVERT: O 179 VAL cc_start: 0.8519 (m) cc_final: 0.8199 (p) REVERT: O 200 TYR cc_start: 0.7416 (m-80) cc_final: 0.6948 (m-80) REVERT: O 210 ILE cc_start: 0.8731 (mt) cc_final: 0.8512 (mt) REVERT: O 240 LEU cc_start: 0.7792 (pp) cc_final: 0.7205 (mt) REVERT: O 257 MET cc_start: 0.7031 (mmp) cc_final: 0.6801 (mmp) REVERT: O 262 ARG cc_start: 0.7934 (mtt180) cc_final: 0.7194 (mtm-85) REVERT: O 265 PHE cc_start: 0.8058 (m-80) cc_final: 0.7094 (m-80) REVERT: O 267 MET cc_start: 0.7502 (ttm) cc_final: 0.6738 (ttm) REVERT: O 276 ARG cc_start: 0.7223 (tpm170) cc_final: 0.6111 (tpm170) REVERT: O 280 GLN cc_start: 0.7910 (pp30) cc_final: 0.7263 (pp30) REVERT: O 292 GLN cc_start: 0.7963 (tt0) cc_final: 0.7633 (tt0) REVERT: O 293 MET cc_start: 0.7682 (mtp) cc_final: 0.6718 (mtp) REVERT: O 300 MET cc_start: 0.6878 (mtt) cc_final: 0.6503 (mtm) REVERT: O 312 THR cc_start: 0.7112 (t) cc_final: 0.6539 (t) REVERT: O 324 LYS cc_start: 0.8020 (ttpt) cc_final: 0.7762 (ttpp) REVERT: O 325 GLU cc_start: 0.8305 (mt-10) cc_final: 0.7881 (mt-10) REVERT: O 327 ASP cc_start: 0.7950 (m-30) cc_final: 0.7188 (m-30) REVERT: O 329 GLN cc_start: 0.8359 (mm-40) cc_final: 0.8126 (mt0) REVERT: O 330 MET cc_start: 0.7259 (ppp) cc_final: 0.6824 (ppp) REVERT: O 331 LEU cc_start: 0.7923 (tp) cc_final: 0.7626 (tp) REVERT: O 374 ILE cc_start: 0.7719 (tp) cc_final: 0.7439 (tp) REVERT: O 379 LYS cc_start: 0.8424 (ptpp) cc_final: 0.7723 (ptpp) REVERT: O 380 ARG cc_start: 0.8102 (ptm-80) cc_final: 0.7899 (ptm-80) REVERT: O 403 MET cc_start: 0.5332 (ttt) cc_final: 0.5004 (ttt) REVERT: O 404 ASP cc_start: 0.6918 (t0) cc_final: 0.6611 (t0) REVERT: O 414 ASN cc_start: 0.8357 (m-40) cc_final: 0.8123 (m-40) REVERT: O 415 MET cc_start: 0.7987 (mmm) cc_final: 0.7206 (mmm) REVERT: O 418 LEU cc_start: 0.8512 (mm) cc_final: 0.8307 (pp) REVERT: O 422 TYR cc_start: 0.8011 (m-80) cc_final: 0.7663 (m-80) REVERT: X 12 MET cc_start: 0.4849 (mtm) cc_final: 0.4264 (mtm) REVERT: X 48 PHE cc_start: 0.5068 (m-80) cc_final: 0.4794 (m-80) REVERT: X 105 MET cc_start: 0.5530 (ptt) cc_final: 0.5238 (mtt) REVERT: X 116 PHE cc_start: 0.5747 (m-10) cc_final: 0.5492 (m-10) REVERT: X 122 MET cc_start: 0.6510 (ppp) cc_final: 0.5869 (ptt) REVERT: X 137 ILE cc_start: 0.4642 (tp) cc_final: 0.3643 (mp) REVERT: X 180 MET cc_start: 0.6360 (mmt) cc_final: 0.6094 (mmt) REVERT: X 197 MET cc_start: 0.6014 (tpt) cc_final: 0.5038 (tpt) REVERT: X 250 GLU cc_start: 0.6855 (mm-30) cc_final: 0.6446 (mm-30) REVERT: X 255 ASN cc_start: 0.7382 (m-40) cc_final: 0.7006 (t0) REVERT: X 258 LEU cc_start: 0.6754 (pp) cc_final: 0.5990 (mp) REVERT: X 313 LYS cc_start: 0.7188 (mtmt) cc_final: 0.6919 (mtmt) REVERT: X 323 LYS cc_start: 0.6419 (tptm) cc_final: 0.6030 (tptm) REVERT: G 16 ILE cc_start: 0.7908 (mt) cc_final: 0.7497 (mm) REVERT: G 23 LEU cc_start: 0.8104 (tt) cc_final: 0.7837 (tp) REVERT: G 70 ARG cc_start: 0.7040 (mtt90) cc_final: 0.6092 (mtt90) REVERT: G 85 ARG cc_start: 0.7829 (mtt180) cc_final: 0.7586 (mtt180) REVERT: G 89 TYR cc_start: 0.5623 (m-80) cc_final: 0.5180 (m-80) REVERT: G 90 ARG cc_start: 0.6654 (mtm-85) cc_final: 0.6215 (mtm-85) REVERT: G 118 LYS cc_start: 0.8521 (mmtt) cc_final: 0.8076 (mmtt) REVERT: G 119 GLU cc_start: 0.7643 (pp20) cc_final: 0.7286 (pp20) REVERT: G 153 SER cc_start: 0.7603 (p) cc_final: 0.7176 (p) REVERT: G 174 GLU cc_start: 0.6416 (mp0) cc_final: 0.5403 (mp0) REVERT: G 175 PHE cc_start: 0.7620 (m-10) cc_final: 0.6921 (m-10) REVERT: G 187 VAL cc_start: 0.7678 (m) cc_final: 0.7286 (m) REVERT: G 192 ASN cc_start: 0.8298 (m-40) cc_final: 0.7537 (m-40) REVERT: G 209 MET cc_start: 0.7061 (mpp) cc_final: 0.6382 (mpp) REVERT: G 215 ILE cc_start: 0.7861 (tt) cc_final: 0.7484 (tt) REVERT: G 240 ILE cc_start: 0.7386 (mt) cc_final: 0.7020 (mt) REVERT: G 267 PRO cc_start: 0.7734 (Cg_endo) cc_final: 0.7488 (Cg_exo) REVERT: G 272 HIS cc_start: 0.6520 (p90) cc_final: 0.6183 (p90) REVERT: G 308 MET cc_start: 0.7876 (mmm) cc_final: 0.7523 (mtt) REVERT: G 317 LYS cc_start: 0.5667 (mttm) cc_final: 0.5231 (ttmm) REVERT: G 319 MET cc_start: 0.5724 (mmm) cc_final: 0.5222 (mmm) REVERT: G 322 CYS cc_start: 0.6353 (p) cc_final: 0.5951 (p) REVERT: G 328 ASP cc_start: 0.6578 (p0) cc_final: 0.6348 (p0) REVERT: G 329 VAL cc_start: 0.8324 (t) cc_final: 0.7809 (p) REVERT: G 338 ILE cc_start: 0.8957 (pt) cc_final: 0.8685 (pt) REVERT: G 342 LYS cc_start: 0.8663 (mtpp) cc_final: 0.7940 (mtpp) REVERT: G 347 ILE cc_start: 0.8306 (pt) cc_final: 0.7831 (pt) REVERT: G 349 PHE cc_start: 0.8262 (m-10) cc_final: 0.8033 (m-10) REVERT: G 358 LYS cc_start: 0.7172 (tmtt) cc_final: 0.6559 (tmtt) REVERT: G 378 GLN cc_start: 0.7973 (mm110) cc_final: 0.7673 (mm-40) REVERT: G 383 MET cc_start: 0.6870 (tpt) cc_final: 0.6388 (tpt) REVERT: G 401 PHE cc_start: 0.6784 (t80) cc_final: 0.6501 (t80) REVERT: G 407 LYS cc_start: 0.8271 (mmmt) cc_final: 0.7706 (mmmt) REVERT: G 408 ARG cc_start: 0.8053 (mpt180) cc_final: 0.7808 (mpt180) REVERT: P 22 GLU cc_start: 0.7737 (mt-10) cc_final: 0.7021 (mt-10) REVERT: P 24 ILE cc_start: 0.8688 (pt) cc_final: 0.8463 (pt) REVERT: P 26 ASP cc_start: 0.7520 (m-30) cc_final: 0.7207 (m-30) REVERT: P 30 ILE cc_start: 0.6409 (mt) cc_final: 0.6113 (mm) REVERT: P 50 TYR cc_start: 0.7399 (m-10) cc_final: 0.7147 (m-80) REVERT: P 53 GLU cc_start: 0.6342 (tp30) cc_final: 0.6020 (tp30) REVERT: P 62 ARG cc_start: 0.7757 (ptp-110) cc_final: 0.6839 (ptp-110) REVERT: P 73 MET cc_start: 0.8285 (mmt) cc_final: 0.8058 (mmt) REVERT: P 74 ASP cc_start: 0.7729 (m-30) cc_final: 0.7453 (m-30) REVERT: P 86 ARG cc_start: 0.7694 (ttm-80) cc_final: 0.7314 (mtp-110) REVERT: P 103 LYS cc_start: 0.7639 (mttt) cc_final: 0.6837 (mmmm) REVERT: P 123 GLU cc_start: 0.7842 (mm-30) cc_final: 0.7592 (mm-30) REVERT: P 147 MET cc_start: 0.5728 (tmm) cc_final: 0.5257 (tmm) REVERT: P 157 GLU cc_start: 0.8304 (pt0) cc_final: 0.7973 (pt0) REVERT: P 165 ASN cc_start: 0.7333 (m-40) cc_final: 0.7127 (m-40) REVERT: P 181 GLU cc_start: 0.7457 (pt0) cc_final: 0.7242 (pt0) REVERT: P 196 THR cc_start: 0.5944 (p) cc_final: 0.5095 (t) REVERT: P 228 LEU cc_start: 0.8079 (mm) cc_final: 0.7617 (tp) REVERT: P 237 THR cc_start: 0.8362 (m) cc_final: 0.7854 (p) REVERT: P 245 GLN cc_start: 0.7366 (mm-40) cc_final: 0.7080 (mm-40) REVERT: P 257 MET cc_start: 0.6737 (mmm) cc_final: 0.6248 (mmm) REVERT: P 264 HIS cc_start: 0.7554 (p-80) cc_final: 0.6679 (p-80) REVERT: P 266 PHE cc_start: 0.7776 (m-10) cc_final: 0.7493 (m-10) REVERT: P 270 PHE cc_start: 0.6689 (t80) cc_final: 0.6484 (t80) REVERT: P 276 ARG cc_start: 0.7082 (tpm170) cc_final: 0.6444 (tpm170) REVERT: P 293 MET cc_start: 0.7725 (mtp) cc_final: 0.7111 (mtp) REVERT: P 309 ARG cc_start: 0.5034 (mtp85) cc_final: 0.4655 (mtp85) REVERT: P 318 ARG cc_start: 0.6727 (mtp180) cc_final: 0.6140 (ttp-170) REVERT: P 321 MET cc_start: 0.8216 (ptm) cc_final: 0.7999 (ptm) REVERT: P 335 ASN cc_start: 0.7132 (m110) cc_final: 0.6652 (m110) REVERT: P 340 TYR cc_start: 0.7138 (m-80) cc_final: 0.6714 (m-80) REVERT: P 344 TRP cc_start: 0.7491 (p-90) cc_final: 0.7255 (p-90) REVERT: P 355 ASP cc_start: 0.7800 (m-30) cc_final: 0.7516 (m-30) REVERT: P 375 GLN cc_start: 0.7444 (pp30) cc_final: 0.7041 (pp30) REVERT: P 390 ARG cc_start: 0.7418 (ptt-90) cc_final: 0.6766 (ptt-90) REVERT: P 395 LEU cc_start: 0.7347 (mt) cc_final: 0.6996 (mm) REVERT: P 404 ASP cc_start: 0.7655 (m-30) cc_final: 0.7405 (t70) REVERT: Z 19 ASN cc_start: 0.6417 (m110) cc_final: 0.5967 (m110) REVERT: Z 59 GLU cc_start: 0.7370 (tp30) cc_final: 0.7149 (tp30) REVERT: Z 105 MET cc_start: 0.5038 (ptt) cc_final: 0.4593 (ptt) REVERT: Z 229 LEU cc_start: 0.5850 (mt) cc_final: 0.5636 (mt) REVERT: Z 282 MET cc_start: 0.7344 (tpt) cc_final: 0.6887 (tpt) REVERT: Z 286 LEU cc_start: 0.7274 (mm) cc_final: 0.6781 (mm) REVERT: Z 313 LYS cc_start: 0.8278 (mtmt) cc_final: 0.8021 (mtmt) REVERT: Z 315 THR cc_start: 0.7661 (m) cc_final: 0.7444 (m) REVERT: Z 320 GLN cc_start: 0.6734 (mt0) cc_final: 0.6305 (mm-40) REVERT: H 11 GLN cc_start: 0.5716 (tp-100) cc_final: 0.5293 (tm-30) REVERT: H 21 TRP cc_start: 0.7998 (m100) cc_final: 0.7269 (m100) REVERT: H 23 LEU cc_start: 0.8341 (tt) cc_final: 0.8119 (tt) REVERT: H 70 ARG cc_start: 0.6933 (mtt90) cc_final: 0.6710 (mtt90) REVERT: H 77 GLU cc_start: 0.6767 (pt0) cc_final: 0.6223 (pt0) REVERT: H 90 ARG cc_start: 0.6705 (mtm-85) cc_final: 0.6354 (mtm-85) REVERT: H 139 GLN cc_start: 0.7752 (mm-40) cc_final: 0.7466 (mp10) REVERT: H 155 PHE cc_start: 0.8097 (t80) cc_final: 0.7499 (t80) REVERT: H 156 THR cc_start: 0.8134 (p) cc_final: 0.7486 (p) REVERT: H 172 LYS cc_start: 0.7607 (mtmm) cc_final: 0.7103 (mtmm) REVERT: H 174 GLU cc_start: 0.6160 (mp0) cc_final: 0.5347 (mp0) REVERT: H 195 LEU cc_start: 0.8150 (mt) cc_final: 0.7633 (tt) REVERT: H 239 GLN cc_start: 0.7484 (mm110) cc_final: 0.6832 (tp40) REVERT: H 265 LEU cc_start: 0.7782 (mp) cc_final: 0.7361 (mm) REVERT: H 289 HIS cc_start: 0.6744 (t-170) cc_final: 0.6278 (t-170) REVERT: H 290 GLU cc_start: 0.8061 (tp30) cc_final: 0.6890 (mm-30) REVERT: H 293 THR cc_start: 0.7590 (t) cc_final: 0.7274 (p) REVERT: H 312 ASP cc_start: 0.7643 (t0) cc_final: 0.7402 (t70) REVERT: H 319 MET cc_start: 0.6042 (mmm) cc_final: 0.5258 (mmm) REVERT: H 322 CYS cc_start: 0.6001 (p) cc_final: 0.5773 (p) REVERT: H 348 GLN cc_start: 0.6724 (mp10) cc_final: 0.6524 (mp-120) REVERT: H 358 LYS cc_start: 0.7389 (tptt) cc_final: 0.6991 (tptt) REVERT: H 378 GLN cc_start: 0.7384 (mp10) cc_final: 0.7138 (mp10) REVERT: H 383 MET cc_start: 0.6457 (tpt) cc_final: 0.5848 (tpt) REVERT: H 384 LEU cc_start: 0.6989 (mm) cc_final: 0.6655 (mm) REVERT: H 385 SER cc_start: 0.7559 (m) cc_final: 0.7319 (m) REVERT: H 396 ARG cc_start: 0.7918 (tmm160) cc_final: 0.7578 (ptt90) REVERT: H 404 MET cc_start: 0.7459 (mpp) cc_final: 0.6976 (mpp) REVERT: H 407 LYS cc_start: 0.7554 (mmmt) cc_final: 0.7142 (mttm) REVERT: H 423 GLU cc_start: 0.7909 (pt0) cc_final: 0.7557 (pm20) REVERT: R 15 GLN cc_start: 0.8359 (mm110) cc_final: 0.8122 (mm-40) REVERT: R 20 PHE cc_start: 0.8551 (t80) cc_final: 0.8227 (t80) REVERT: R 46 ARG cc_start: 0.8303 (mmm160) cc_final: 0.8022 (mmm-85) REVERT: R 58 LYS cc_start: 0.7747 (tttt) cc_final: 0.7423 (tttt) REVERT: R 62 ARG cc_start: 0.7020 (ptp-110) cc_final: 0.6704 (ptp-110) REVERT: R 84 ILE cc_start: 0.8052 (tt) cc_final: 0.7845 (tp) REVERT: R 123 GLU cc_start: 0.7063 (tp30) cc_final: 0.6713 (tp30) REVERT: R 129 CYS cc_start: 0.8455 (t) cc_final: 0.8093 (t) REVERT: R 147 MET cc_start: 0.6440 (tmm) cc_final: 0.6099 (tmm) REVERT: R 157 GLU cc_start: 0.8006 (pt0) cc_final: 0.7779 (pt0) REVERT: R 182 PRO cc_start: 0.7571 (Cg_exo) cc_final: 0.6968 (Cg_endo) REVERT: R 184 ASN cc_start: 0.7668 (m-40) cc_final: 0.6711 (t160) REVERT: R 192 LEU cc_start: 0.8902 (mm) cc_final: 0.8419 (mt) REVERT: R 199 THR cc_start: 0.7086 (m) cc_final: 0.6147 (p) REVERT: R 232 THR cc_start: 0.8455 (p) cc_final: 0.8137 (t) REVERT: R 233 MET cc_start: 0.8008 (mtp) cc_final: 0.7438 (mtp) REVERT: R 264 HIS cc_start: 0.8061 (p-80) cc_final: 0.7667 (p-80) REVERT: R 266 PHE cc_start: 0.7467 (m-80) cc_final: 0.6661 (m-80) REVERT: R 268 PRO cc_start: 0.8193 (Cg_endo) cc_final: 0.7551 (Cg_exo) REVERT: R 292 GLN cc_start: 0.8266 (tt0) cc_final: 0.7611 (tm-30) REVERT: R 293 MET cc_start: 0.7947 (mtp) cc_final: 0.7705 (mtp) REVERT: R 295 ASP cc_start: 0.7976 (t70) cc_final: 0.7483 (t70) REVERT: R 298 ASN cc_start: 0.6924 (t0) cc_final: 0.6658 (t0) REVERT: R 300 MET cc_start: 0.7160 (mtt) cc_final: 0.6662 (mtm) REVERT: R 321 MET cc_start: 0.7754 (ppp) cc_final: 0.6759 (ppp) REVERT: R 326 VAL cc_start: 0.8808 (p) cc_final: 0.8259 (m) REVERT: R 327 ASP cc_start: 0.7765 (m-30) cc_final: 0.7229 (m-30) REVERT: R 345 ILE cc_start: 0.8057 (mm) cc_final: 0.7816 (mp) REVERT: R 353 VAL cc_start: 0.7843 (p) cc_final: 0.7347 (m) REVERT: R 355 ASP cc_start: 0.7546 (m-30) cc_final: 0.7321 (m-30) REVERT: R 375 GLN cc_start: 0.8139 (pt0) cc_final: 0.7363 (tp40) REVERT: R 379 LYS cc_start: 0.8682 (ptpp) cc_final: 0.7801 (pttp) REVERT: R 384 GLN cc_start: 0.8072 (mt0) cc_final: 0.7754 (mt0) REVERT: R 385 PHE cc_start: 0.7549 (t80) cc_final: 0.7072 (t80) REVERT: R 388 MET cc_start: 0.7759 (mtp) cc_final: 0.7003 (mtp) REVERT: R 407 GLU cc_start: 0.7983 (mt-10) cc_final: 0.7552 (mt-10) REVERT: R 415 MET cc_start: 0.8037 (mmm) cc_final: 0.7397 (mmm) REVERT: R 423 GLN cc_start: 0.8028 (tp40) cc_final: 0.7570 (tp40) REVERT: R 424 GLN cc_start: 0.7483 (tm-30) cc_final: 0.7266 (tm-30) REVERT: a 12 MET cc_start: 0.4776 (mtt) cc_final: 0.4438 (mtt) REVERT: a 92 THR cc_start: 0.6613 (m) cc_final: 0.6390 (p) REVERT: a 95 MET cc_start: 0.5951 (mpp) cc_final: 0.5684 (mpp) REVERT: a 171 ARG cc_start: 0.5646 (mtt180) cc_final: 0.5378 (mtt180) REVERT: a 211 ASN cc_start: 0.6170 (t0) cc_final: 0.5837 (t0) REVERT: a 228 TYR cc_start: 0.6527 (m-10) cc_final: 0.5501 (m-10) outliers start: 7 outliers final: 2 residues processed: 3238 average time/residue: 0.8015 time to fit residues: 4357.7255 Evaluate side-chains 3044 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 3042 time to evaluate : 7.123 ------------------------------------------------------------------------------- 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: 5.9990 chunk 572 optimal weight: 2.9990 chunk 14 optimal weight: 0.7980 chunk 751 optimal weight: 10.0000 chunk 416 optimal weight: 7.9990 chunk 861 optimal weight: 0.8980 chunk 697 optimal weight: 0.8980 chunk 1 optimal weight: 0.6980 chunk 515 optimal weight: 10.0000 chunk 905 optimal weight: 8.9990 chunk 254 optimal weight: 6.9990 overall best weight: 1.2582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 67 HIS Q 247 ASN Y 63 ASN ** Y 287 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 28 HIS ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 195 ASN B 315 HIS ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 198 ASN C 315 HIS ** D 28 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 289 HIS D 315 HIS ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 320 GLN ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 198 HIS E 307 GLN ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 362 ASN N 131 GLN F 139 GLN F 239 GLN F 289 HIS F 315 HIS O 28 HIS ** O 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN O 337 ASN O 348 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 232 ASN G 289 HIS P 307 HIS ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 93 HIS ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 131 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 190 HIS a 117 ASN a 160 ASN Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6473 moved from start: 0.4634 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.054 85860 Z= 0.163 Angle : 0.551 9.914 116442 Z= 0.275 Chirality : 0.043 0.242 12825 Planarity : 0.003 0.062 15075 Dihedral : 9.049 154.846 12231 Min Nonbonded Distance : 2.085 Molprobity Statistics. All-atom Clashscore : 12.59 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.30 % Favored : 97.70 % Rotamer: Outliers : 0.07 % Allowed : 1.77 % Favored : 98.16 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -1.01 (0.08), residues: 10530 helix: -0.25 (0.08), residues: 4212 sheet: -0.62 (0.12), residues: 1755 loop : -0.96 (0.09), residues: 4563 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.030 0.002 TRP F 394 HIS 0.009 0.001 HIS G 289 PHE 0.026 0.001 PHE I 147 TYR 0.022 0.001 TYR G 278 ARG 0.007 0.000 ARG J 390 *********************** 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 3222 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 3216 time to evaluate : 6.996 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: I 22 GLU cc_start: 0.8184 (pt0) cc_final: 0.7754 (pt0) REVERT: I 70 ARG cc_start: 0.7617 (mtt-85) cc_final: 0.7098 (mtt-85) REVERT: I 74 VAL cc_start: 0.7283 (m) cc_final: 0.6994 (p) REVERT: I 89 TYR cc_start: 0.6184 (m-80) cc_final: 0.5789 (m-80) REVERT: I 90 ARG cc_start: 0.6788 (mtm-85) cc_final: 0.6196 (mtm-85) REVERT: I 91 GLN cc_start: 0.7736 (mp10) cc_final: 0.7358 (mp10) REVERT: I 108 ASN cc_start: 0.6888 (t0) cc_final: 0.6336 (t0) REVERT: I 116 ILE cc_start: 0.7496 (mm) cc_final: 0.7234 (mm) REVERT: I 144 PHE cc_start: 0.7451 (m-80) cc_final: 0.6594 (m-80) REVERT: I 158 LEU cc_start: 0.8282 (tp) cc_final: 0.8035 (tp) REVERT: I 174 GLU cc_start: 0.6468 (mp0) cc_final: 0.5388 (mp0) REVERT: I 192 ASN cc_start: 0.8433 (m-40) cc_final: 0.7722 (m-40) REVERT: I 194 ILE cc_start: 0.8223 (tt) cc_final: 0.7947 (tt) REVERT: I 196 THR cc_start: 0.8586 (t) cc_final: 0.7674 (m) REVERT: I 209 MET cc_start: 0.6876 (mpp) cc_final: 0.6618 (mpp) REVERT: I 217 ASP cc_start: 0.7463 (t0) cc_final: 0.7039 (t0) REVERT: I 255 ASN cc_start: 0.6945 (m110) cc_final: 0.6571 (m-40) REVERT: I 265 LEU cc_start: 0.7760 (mp) cc_final: 0.7311 (mm) REVERT: I 298 THR cc_start: 0.8285 (p) cc_final: 0.7848 (t) REVERT: I 306 ASN cc_start: 0.8002 (t0) cc_final: 0.7392 (t0) REVERT: I 309 VAL cc_start: 0.8550 (t) cc_final: 0.8250 (m) REVERT: I 322 CYS cc_start: 0.6373 (p) cc_final: 0.6041 (p) REVERT: I 344 LYS cc_start: 0.8308 (ttpt) cc_final: 0.7992 (ttpt) REVERT: I 348 GLN cc_start: 0.6986 (pt0) cc_final: 0.6440 (tm-30) REVERT: I 349 PHE cc_start: 0.8202 (m-80) cc_final: 0.7682 (m-80) REVERT: I 358 LYS cc_start: 0.7275 (tptt) cc_final: 0.6493 (tppt) REVERT: I 362 ASN cc_start: 0.8056 (t0) cc_final: 0.7827 (t0) REVERT: I 378 GLN cc_start: 0.7811 (mm110) cc_final: 0.6808 (mm-40) REVERT: I 383 MET cc_start: 0.6882 (tpt) cc_final: 0.6104 (tpt) REVERT: I 386 ASN cc_start: 0.6727 (t0) cc_final: 0.6415 (t0) REVERT: I 392 GLU cc_start: 0.7556 (pt0) cc_final: 0.7348 (pt0) REVERT: I 401 PHE cc_start: 0.7652 (t80) cc_final: 0.7136 (t80) REVERT: I 407 LYS cc_start: 0.8402 (mmmt) cc_final: 0.7868 (mttm) REVERT: I 408 ARG cc_start: 0.8012 (mmt-90) cc_final: 0.7738 (mmt180) REVERT: I 410 PHE cc_start: 0.8702 (m-80) cc_final: 0.8378 (m-10) REVERT: I 419 MET cc_start: 0.6497 (mmm) cc_final: 0.6132 (mmp) REVERT: I 423 GLU cc_start: 0.8021 (pm20) cc_final: 0.7562 (pm20) REVERT: I 440 GLU cc_start: 0.8213 (tt0) cc_final: 0.7830 (tt0) REVERT: Q 1 MET cc_start: 0.6693 (mmm) cc_final: 0.5925 (mmm) REVERT: Q 5 VAL cc_start: 0.6008 (t) cc_final: 0.5807 (t) REVERT: Q 14 ASN cc_start: 0.8633 (m110) cc_final: 0.8144 (m110) REVERT: Q 73 MET cc_start: 0.8566 (mmt) cc_final: 0.7604 (mmt) REVERT: Q 103 LYS cc_start: 0.7467 (mttt) cc_final: 0.6680 (mmmm) REVERT: Q 113 VAL cc_start: 0.8525 (p) cc_final: 0.8180 (t) REVERT: Q 121 ARG cc_start: 0.8093 (ttm110) cc_final: 0.7717 (ttm110) REVERT: Q 143 THR cc_start: 0.8130 (t) cc_final: 0.7484 (t) REVERT: Q 147 MET cc_start: 0.6117 (tmm) cc_final: 0.5493 (tmm) REVERT: Q 150 LEU cc_start: 0.8159 (tt) cc_final: 0.7810 (mm) REVERT: Q 160 PRO cc_start: 0.8314 (Cg_endo) cc_final: 0.7982 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6084 (mmt-90) cc_final: 0.4851 (mmt180) REVERT: Q 205 GLU cc_start: 0.7757 (tp30) cc_final: 0.7439 (tp30) REVERT: Q 215 LEU cc_start: 0.7803 (tp) cc_final: 0.7575 (tp) REVERT: Q 227 HIS cc_start: 0.7666 (t70) cc_final: 0.7129 (m-70) REVERT: Q 233 MET cc_start: 0.8196 (mtp) cc_final: 0.7754 (mtp) REVERT: Q 240 LEU cc_start: 0.8107 (pp) cc_final: 0.7446 (mt) REVERT: Q 257 MET cc_start: 0.6842 (mmm) cc_final: 0.6273 (mmm) REVERT: Q 264 HIS cc_start: 0.7401 (p-80) cc_final: 0.6684 (p-80) REVERT: Q 276 ARG cc_start: 0.7257 (tpm170) cc_final: 0.6209 (tpm170) REVERT: Q 280 GLN cc_start: 0.7907 (mp-120) cc_final: 0.7336 (mp10) REVERT: Q 290 THR cc_start: 0.8304 (m) cc_final: 0.7817 (t) REVERT: Q 292 GLN cc_start: 0.7900 (tt0) cc_final: 0.7671 (tt0) REVERT: Q 293 MET cc_start: 0.7767 (mtp) cc_final: 0.7007 (mtp) REVERT: Q 294 PHE cc_start: 0.7832 (m-80) cc_final: 0.7618 (m-80) REVERT: Q 296 SER cc_start: 0.8516 (m) cc_final: 0.8131 (t) REVERT: Q 307 HIS cc_start: 0.7673 (m90) cc_final: 0.7451 (m-70) REVERT: Q 321 MET cc_start: 0.7855 (ptp) cc_final: 0.7135 (ptp) REVERT: Q 330 MET cc_start: 0.7127 (ppp) cc_final: 0.6759 (ppp) REVERT: Q 332 ASN cc_start: 0.6968 (p0) cc_final: 0.6716 (p0) REVERT: Q 335 ASN cc_start: 0.7209 (m110) cc_final: 0.6943 (m110) REVERT: Q 337 ASN cc_start: 0.7679 (m110) cc_final: 0.6794 (m-40) REVERT: Q 340 TYR cc_start: 0.7298 (m-80) cc_final: 0.6624 (m-80) REVERT: Q 345 ILE cc_start: 0.8040 (mm) cc_final: 0.7806 (mm) REVERT: Q 354 CYS cc_start: 0.7744 (t) cc_final: 0.7509 (t) REVERT: Q 363 MET cc_start: 0.6849 (ppp) cc_final: 0.6636 (ppp) REVERT: Q 375 GLN cc_start: 0.7794 (pt0) cc_final: 0.7539 (pt0) REVERT: Q 379 LYS cc_start: 0.8588 (ptpt) cc_final: 0.8173 (pttt) REVERT: Q 383 GLU cc_start: 0.7533 (pp20) cc_final: 0.7223 (pp20) REVERT: Q 384 GLN cc_start: 0.8288 (mt0) cc_final: 0.7941 (mt0) REVERT: Q 385 PHE cc_start: 0.7678 (t80) cc_final: 0.7276 (t80) REVERT: Q 392 LYS cc_start: 0.7937 (mtmm) cc_final: 0.7530 (mtmm) REVERT: Q 397 TRP cc_start: 0.7784 (m100) cc_final: 0.7178 (m100) REVERT: Q 401 GLU cc_start: 0.7919 (mm-30) cc_final: 0.7385 (mm-30) REVERT: Q 403 MET cc_start: 0.5957 (ttt) cc_final: 0.5568 (ttt) REVERT: Q 404 ASP cc_start: 0.7735 (t70) cc_final: 0.7524 (t70) REVERT: Q 417 ASP cc_start: 0.7320 (m-30) cc_final: 0.7061 (m-30) REVERT: Q 421 GLU cc_start: 0.7648 (tt0) cc_final: 0.7220 (tt0) REVERT: Q 424 GLN cc_start: 0.6075 (tp40) cc_final: 0.5655 (tp40) REVERT: Y 8 ASN cc_start: 0.5433 (m110) cc_final: 0.5145 (m110) REVERT: Y 59 GLU cc_start: 0.7493 (tp30) cc_final: 0.7147 (tp30) REVERT: Y 92 THR cc_start: 0.7070 (p) cc_final: 0.6577 (p) REVERT: Y 98 LYS cc_start: 0.7079 (pttt) cc_final: 0.6846 (pttt) REVERT: Y 198 ASN cc_start: 0.6238 (t0) cc_final: 0.5166 (t0) REVERT: Y 226 LYS cc_start: 0.7005 (mtmt) cc_final: 0.6449 (mtmt) REVERT: Y 256 LYS cc_start: 0.7710 (mmmt) cc_final: 0.6787 (mmmt) REVERT: Y 282 MET cc_start: 0.7875 (tpt) cc_final: 0.7344 (tpt) REVERT: Y 311 GLU cc_start: 0.7245 (pp20) cc_final: 0.6892 (pp20) REVERT: Y 313 LYS cc_start: 0.8586 (mtmt) cc_final: 0.8270 (mtmt) REVERT: Y 316 LEU cc_start: 0.7465 (mt) cc_final: 0.7177 (mt) REVERT: Y 320 GLN cc_start: 0.7267 (mt0) cc_final: 0.6977 (mm-40) REVERT: A 16 ILE cc_start: 0.7931 (mt) cc_final: 0.7628 (mm) REVERT: A 22 GLU cc_start: 0.7757 (pt0) cc_final: 0.7338 (pt0) REVERT: A 31 GLN cc_start: 0.7152 (tm-30) cc_final: 0.6860 (tm-30) REVERT: A 36 MET cc_start: 0.8037 (ttp) cc_final: 0.7753 (ttm) REVERT: A 70 ARG cc_start: 0.8002 (mtp85) cc_final: 0.7486 (mtt-85) REVERT: A 77 GLU cc_start: 0.6750 (pt0) cc_final: 0.6417 (pt0) REVERT: A 93 PHE cc_start: 0.7027 (m-80) cc_final: 0.6373 (m-80) REVERT: A 96 GLU cc_start: 0.7851 (tt0) cc_final: 0.7435 (tt0) REVERT: A 107 ASN cc_start: 0.7146 (m-40) cc_final: 0.6903 (m-40) REVERT: A 142 LEU cc_start: 0.7700 (pt) cc_final: 0.7108 (pt) REVERT: A 144 PHE cc_start: 0.7152 (m-80) cc_final: 0.6758 (m-80) REVERT: A 155 PHE cc_start: 0.8073 (t80) cc_final: 0.7198 (t80) REVERT: A 158 LEU cc_start: 0.7977 (tp) cc_final: 0.7700 (tp) REVERT: A 172 LYS cc_start: 0.7556 (mtmm) cc_final: 0.7307 (mtmm) REVERT: A 174 GLU cc_start: 0.6563 (mp0) cc_final: 0.5819 (mp0) REVERT: A 175 PHE cc_start: 0.7669 (m-80) cc_final: 0.6506 (m-80) REVERT: A 193 SER cc_start: 0.8390 (t) cc_final: 0.8157 (t) REVERT: A 233 LEU cc_start: 0.8638 (mp) cc_final: 0.8135 (tt) REVERT: A 235 ARG cc_start: 0.8316 (tpp80) cc_final: 0.8032 (tpp80) REVERT: A 241 VAL cc_start: 0.8186 (t) cc_final: 0.7869 (p) REVERT: A 259 THR cc_start: 0.8117 (p) cc_final: 0.7599 (p) REVERT: A 319 MET cc_start: 0.6159 (mmm) cc_final: 0.5697 (mmm) REVERT: A 322 CYS cc_start: 0.6154 (p) cc_final: 0.5687 (p) REVERT: A 348 GLN cc_start: 0.6243 (mp-120) cc_final: 0.5896 (mp-120) REVERT: A 358 LYS cc_start: 0.7371 (tmtt) cc_final: 0.6709 (mmtt) REVERT: A 383 MET cc_start: 0.6472 (tpt) cc_final: 0.5673 (tpt) REVERT: A 384 LEU cc_start: 0.7436 (mm) cc_final: 0.6700 (mm) REVERT: A 385 SER cc_start: 0.7820 (m) cc_final: 0.7004 (p) REVERT: A 390 ILE cc_start: 0.7609 (tp) cc_final: 0.7206 (tp) REVERT: A 401 PHE cc_start: 0.8038 (t80) cc_final: 0.7732 (t80) REVERT: A 407 LYS cc_start: 0.7606 (mtpt) cc_final: 0.7017 (mtpt) REVERT: A 410 PHE cc_start: 0.8253 (m-80) cc_final: 0.7900 (m-10) REVERT: A 440 GLU cc_start: 0.8265 (tt0) cc_final: 0.7946 (tt0) REVERT: J 22 GLU cc_start: 0.8476 (mt-10) cc_final: 0.7990 (mt-10) REVERT: J 24 ILE cc_start: 0.8628 (pt) cc_final: 0.8390 (pt) REVERT: J 58 LYS cc_start: 0.7410 (tttt) cc_final: 0.7138 (tttt) REVERT: J 73 MET cc_start: 0.8502 (mmt) cc_final: 0.7638 (mmt) REVERT: J 106 TYR cc_start: 0.7736 (m-80) cc_final: 0.7230 (m-10) REVERT: J 122 LYS cc_start: 0.8299 (ptmm) cc_final: 0.8000 (ttpt) REVERT: J 123 GLU cc_start: 0.8196 (mm-30) cc_final: 0.7671 (mm-30) REVERT: J 126 SER cc_start: 0.8168 (p) cc_final: 0.7910 (p) REVERT: J 129 CYS cc_start: 0.8118 (t) cc_final: 0.7655 (t) REVERT: J 147 MET cc_start: 0.6171 (tmm) cc_final: 0.5735 (tmm) REVERT: J 157 GLU cc_start: 0.7784 (pt0) cc_final: 0.7285 (pt0) REVERT: J 164 MET cc_start: 0.7830 (mmm) cc_final: 0.7570 (mmm) REVERT: J 191 GLN cc_start: 0.8201 (mp10) cc_final: 0.7301 (mp-120) REVERT: J 194 GLU cc_start: 0.6415 (mp0) cc_final: 0.5834 (mp0) REVERT: J 195 ASN cc_start: 0.6736 (m110) cc_final: 0.6194 (m110) REVERT: J 208 TYR cc_start: 0.7693 (m-80) cc_final: 0.7286 (m-80) REVERT: J 233 MET cc_start: 0.8009 (mtp) cc_final: 0.7762 (mtp) REVERT: J 238 THR cc_start: 0.7337 (p) cc_final: 0.7136 (p) REVERT: J 253 LEU cc_start: 0.8546 (mp) cc_final: 0.8141 (mm) REVERT: J 257 MET cc_start: 0.6765 (mmm) cc_final: 0.6376 (mmm) REVERT: J 262 ARG cc_start: 0.7632 (mmm160) cc_final: 0.6657 (mmm160) REVERT: J 265 PHE cc_start: 0.8434 (m-80) cc_final: 0.7815 (m-80) REVERT: J 267 MET cc_start: 0.7492 (mtt) cc_final: 0.7291 (mtt) REVERT: J 270 PHE cc_start: 0.7032 (t80) cc_final: 0.6614 (t80) REVERT: J 273 LEU cc_start: 0.8303 (mt) cc_final: 0.7783 (mt) REVERT: J 280 GLN cc_start: 0.8161 (mp10) cc_final: 0.7889 (mp10) REVERT: J 292 GLN cc_start: 0.7494 (tt0) cc_final: 0.6759 (tm-30) REVERT: J 300 MET cc_start: 0.7834 (mtm) cc_final: 0.6691 (mpp) REVERT: J 326 VAL cc_start: 0.8687 (t) cc_final: 0.8183 (t) REVERT: J 330 MET cc_start: 0.7199 (ppp) cc_final: 0.6659 (ppp) REVERT: J 337 ASN cc_start: 0.6457 (t0) cc_final: 0.5853 (t0) REVERT: J 355 ASP cc_start: 0.7743 (m-30) cc_final: 0.7299 (m-30) REVERT: J 367 PHE cc_start: 0.7658 (t80) cc_final: 0.7214 (t80) REVERT: J 375 GLN cc_start: 0.8359 (pp30) cc_final: 0.7828 (tm-30) REVERT: J 384 GLN cc_start: 0.8544 (mt0) cc_final: 0.7817 (mm-40) REVERT: J 388 MET cc_start: 0.7979 (mtp) cc_final: 0.7577 (mtp) REVERT: J 389 PHE cc_start: 0.8209 (t80) cc_final: 0.7977 (t80) REVERT: J 395 LEU cc_start: 0.8461 (mt) cc_final: 0.8113 (mt) REVERT: J 407 GLU cc_start: 0.8076 (mt-10) cc_final: 0.7756 (mt-10) REVERT: J 418 LEU cc_start: 0.8489 (tp) cc_final: 0.8197 (tp) REVERT: S 18 LEU cc_start: 0.6949 (mt) cc_final: 0.5734 (mt) REVERT: S 19 ASN cc_start: 0.6708 (m110) cc_final: 0.6270 (m110) REVERT: S 49 ASP cc_start: 0.5554 (m-30) cc_final: 0.5143 (m-30) REVERT: S 56 THR cc_start: 0.5826 (m) cc_final: 0.5458 (p) REVERT: S 62 TYR cc_start: 0.3806 (t80) cc_final: 0.3493 (t80) REVERT: S 108 ILE cc_start: 0.6560 (pt) cc_final: 0.6195 (pt) REVERT: S 116 PHE cc_start: 0.6066 (m-80) cc_final: 0.5721 (m-10) REVERT: S 177 ASP cc_start: 0.7536 (t0) cc_final: 0.7327 (t0) REVERT: S 211 ASN cc_start: 0.5842 (t0) cc_final: 0.5383 (t0) REVERT: S 228 TYR cc_start: 0.6562 (m-10) cc_final: 0.5875 (m-10) REVERT: S 249 ASP cc_start: 0.6686 (m-30) cc_final: 0.6358 (m-30) REVERT: S 256 LYS cc_start: 0.8478 (mmmt) cc_final: 0.8257 (mmmt) REVERT: B 3 GLU cc_start: 0.5402 (mp0) cc_final: 0.5108 (mp0) REVERT: B 15 GLN cc_start: 0.7651 (tt0) cc_final: 0.7321 (mm-40) REVERT: B 96 GLU cc_start: 0.7942 (tt0) cc_final: 0.7453 (tt0) REVERT: B 108 ASN cc_start: 0.6775 (t0) cc_final: 0.6434 (t0) REVERT: B 113 HIS cc_start: 0.8086 (t-170) cc_final: 0.7781 (t-170) REVERT: B 114 TYR cc_start: 0.8060 (m-80) cc_final: 0.7097 (m-80) REVERT: B 127 ARG cc_start: 0.8370 (mmm160) cc_final: 0.7911 (mmm-85) REVERT: B 134 GLN cc_start: 0.7888 (tm-30) cc_final: 0.7685 (tm-30) REVERT: B 142 LEU cc_start: 0.7476 (pt) cc_final: 0.7236 (pp) REVERT: B 169 LYS cc_start: 0.7852 (ptmm) cc_final: 0.7529 (ptmm) REVERT: B 193 SER cc_start: 0.8302 (m) cc_final: 0.8038 (p) REVERT: B 220 ARG cc_start: 0.7330 (tmm-80) cc_final: 0.6616 (tmm-80) REVERT: B 221 ARG cc_start: 0.6936 (ptp-110) cc_final: 0.6665 (ptt-90) REVERT: B 235 ARG cc_start: 0.7781 (mtt-85) cc_final: 0.7230 (ttm110) REVERT: B 239 GLN cc_start: 0.7809 (tp-100) cc_final: 0.7587 (tp-100) REVERT: B 308 MET cc_start: 0.7593 (mmt) cc_final: 0.7323 (mmt) REVERT: B 310 LYS cc_start: 0.7776 (mtpt) cc_final: 0.7209 (mtpt) REVERT: B 341 ILE cc_start: 0.8934 (mm) cc_final: 0.8717 (mm) REVERT: B 344 LYS cc_start: 0.8258 (ttpt) cc_final: 0.7815 (ttpt) REVERT: B 348 GLN cc_start: 0.7812 (pt0) cc_final: 0.7400 (pp30) REVERT: B 349 PHE cc_start: 0.7401 (m-80) cc_final: 0.6988 (m-10) REVERT: B 350 VAL cc_start: 0.7742 (p) cc_final: 0.6844 (t) REVERT: B 351 ASP cc_start: 0.7108 (p0) cc_final: 0.6402 (p0) REVERT: B 379 ARG cc_start: 0.7923 (ptp90) cc_final: 0.7619 (mtm-85) REVERT: B 383 MET cc_start: 0.7496 (tpt) cc_final: 0.7160 (tpt) REVERT: B 401 PHE cc_start: 0.7612 (t80) cc_final: 0.6911 (t80) REVERT: B 407 LYS cc_start: 0.8552 (mmmt) cc_final: 0.8297 (mmmt) REVERT: B 410 PHE cc_start: 0.8397 (m-80) cc_final: 0.7926 (m-10) REVERT: B 417 GLU cc_start: 0.6302 (tm-30) cc_final: 0.6050 (tm-30) REVERT: B 426 GLU cc_start: 0.7212 (tp30) cc_final: 0.6486 (tp30) REVERT: B 430 ASP cc_start: 0.7664 (t0) cc_final: 0.7346 (t0) REVERT: K 3 GLU cc_start: 0.7130 (mp0) cc_final: 0.6146 (mp0) REVERT: K 20 PHE cc_start: 0.8581 (t80) cc_final: 0.8283 (t80) REVERT: K 22 GLU cc_start: 0.8419 (mt-10) cc_final: 0.7927 (mt-10) REVERT: K 24 ILE cc_start: 0.9083 (pt) cc_final: 0.8850 (pt) REVERT: K 47 ILE cc_start: 0.8389 (tt) cc_final: 0.8034 (tt) REVERT: K 53 GLU cc_start: 0.7678 (tp30) cc_final: 0.7437 (tp30) REVERT: K 58 LYS cc_start: 0.7725 (mmmm) cc_final: 0.7443 (mmmm) REVERT: K 59 TYR cc_start: 0.6899 (m-80) cc_final: 0.6449 (m-80) REVERT: K 73 MET cc_start: 0.8505 (mmt) cc_final: 0.7332 (mmt) REVERT: K 131 GLN cc_start: 0.6708 (tp-100) cc_final: 0.5883 (tp-100) REVERT: K 139 LEU cc_start: 0.6990 (mp) cc_final: 0.6778 (mp) REVERT: K 152 ILE cc_start: 0.8371 (mm) cc_final: 0.8013 (mm) REVERT: K 153 SER cc_start: 0.7408 (p) cc_final: 0.7089 (t) REVERT: K 164 MET cc_start: 0.7558 (tpt) cc_final: 0.7238 (mmm) REVERT: K 187 LEU cc_start: 0.8100 (mt) cc_final: 0.7579 (mt) REVERT: K 213 ARG cc_start: 0.6095 (mtm180) cc_final: 0.5529 (mtm-85) REVERT: K 233 MET cc_start: 0.8237 (mtm) cc_final: 0.7892 (mtm) REVERT: K 241 ARG cc_start: 0.7952 (mtm-85) cc_final: 0.7178 (mtm-85) REVERT: K 250 LEU cc_start: 0.6915 (mm) cc_final: 0.6680 (mm) REVERT: K 257 MET cc_start: 0.7859 (mmm) cc_final: 0.7107 (mmm) REVERT: K 264 HIS cc_start: 0.7464 (p-80) cc_final: 0.6595 (p90) REVERT: K 280 GLN cc_start: 0.7940 (mp10) cc_final: 0.7737 (mp10) REVERT: K 289 LEU cc_start: 0.7786 (pp) cc_final: 0.7565 (pp) REVERT: K 290 THR cc_start: 0.7340 (m) cc_final: 0.6684 (m) REVERT: K 293 MET cc_start: 0.7604 (mtp) cc_final: 0.6798 (mtp) REVERT: K 321 MET cc_start: 0.7645 (pmm) cc_final: 0.6684 (pmm) REVERT: K 323 MET cc_start: 0.7414 (mmp) cc_final: 0.7118 (mmp) REVERT: K 324 LYS cc_start: 0.8034 (ttpt) cc_final: 0.7738 (ttpp) REVERT: K 325 GLU cc_start: 0.8346 (mt-10) cc_final: 0.7760 (mt-10) REVERT: K 327 ASP cc_start: 0.7224 (m-30) cc_final: 0.6234 (m-30) REVERT: K 330 MET cc_start: 0.6727 (ppp) cc_final: 0.6274 (ppp) REVERT: K 335 ASN cc_start: 0.6960 (m110) cc_final: 0.6748 (m-40) REVERT: K 363 MET cc_start: 0.6522 (mtm) cc_final: 0.6256 (mtm) REVERT: K 374 ILE cc_start: 0.8287 (tp) cc_final: 0.7993 (tp) REVERT: K 375 GLN cc_start: 0.8647 (pt0) cc_final: 0.7705 (pt0) REVERT: K 376 GLU cc_start: 0.8054 (mm-30) cc_final: 0.7307 (mm-30) REVERT: K 379 LYS cc_start: 0.8564 (ptpt) cc_final: 0.8149 (ptpt) REVERT: K 380 ARG cc_start: 0.8156 (ptm-80) cc_final: 0.7911 (ptm-80) REVERT: K 386 THR cc_start: 0.8702 (m) cc_final: 0.8455 (p) REVERT: K 401 GLU cc_start: 0.7379 (mm-30) cc_final: 0.7139 (mm-30) REVERT: K 408 PHE cc_start: 0.8022 (m-80) cc_final: 0.7510 (m-80) REVERT: K 414 ASN cc_start: 0.8545 (m-40) cc_final: 0.8145 (m-40) REVERT: K 415 MET cc_start: 0.8311 (mmm) cc_final: 0.7843 (mmm) REVERT: K 417 ASP cc_start: 0.6646 (m-30) cc_final: 0.6401 (m-30) REVERT: K 418 LEU cc_start: 0.8365 (pp) cc_final: 0.8062 (pp) REVERT: K 421 GLU cc_start: 0.7795 (tt0) cc_final: 0.7269 (tt0) REVERT: K 422 TYR cc_start: 0.7897 (m-80) cc_final: 0.7231 (m-10) REVERT: T 12 MET cc_start: 0.5696 (mtt) cc_final: 0.5299 (mtt) REVERT: T 34 GLN cc_start: 0.7581 (mp10) cc_final: 0.7374 (mp10) REVERT: T 44 LYS cc_start: 0.6514 (pttm) cc_final: 0.6182 (pttm) REVERT: T 105 MET cc_start: 0.5451 (ptt) cc_final: 0.4847 (ppp) REVERT: T 221 GLN cc_start: 0.6339 (pp30) cc_final: 0.5969 (pp30) REVERT: T 250 GLU cc_start: 0.6726 (mm-30) cc_final: 0.6314 (mm-30) REVERT: T 256 LYS cc_start: 0.7443 (mmmt) cc_final: 0.7086 (mmmt) REVERT: T 287 GLN cc_start: 0.8069 (pp30) cc_final: 0.7798 (pp30) REVERT: T 313 LYS cc_start: 0.8075 (mtmt) cc_final: 0.7777 (mtmt) REVERT: C 3 GLU cc_start: 0.6733 (pt0) cc_final: 0.6117 (pt0) REVERT: C 83 GLU cc_start: 0.7131 (pm20) cc_final: 0.6795 (pm20) REVERT: C 108 ASN cc_start: 0.6728 (t0) cc_final: 0.6302 (t0) REVERT: C 119 GLU cc_start: 0.7663 (pp20) cc_final: 0.7264 (pp20) REVERT: C 161 GLU cc_start: 0.8380 (pt0) cc_final: 0.8080 (pt0) REVERT: C 169 LYS cc_start: 0.7874 (ptmm) cc_final: 0.7537 (ptmm) REVERT: C 172 LYS cc_start: 0.7538 (mtmm) cc_final: 0.7194 (mtmm) REVERT: C 192 ASN cc_start: 0.8481 (m-40) cc_final: 0.7749 (m-40) REVERT: C 227 ARG cc_start: 0.7249 (mtm-85) cc_final: 0.6879 (mmm-85) REVERT: C 232 ASN cc_start: 0.8218 (m-40) cc_final: 0.7949 (p0) REVERT: C 233 LEU cc_start: 0.8535 (mp) cc_final: 0.8183 (tp) REVERT: C 235 ARG cc_start: 0.7799 (mtt-85) cc_final: 0.7211 (mmm-85) REVERT: C 289 HIS cc_start: 0.7497 (m90) cc_final: 0.7191 (m90) REVERT: C 306 ASN cc_start: 0.8313 (t0) cc_final: 0.8013 (t0) REVERT: C 308 MET cc_start: 0.7607 (mtt) cc_final: 0.7091 (mtp) REVERT: C 311 CYS cc_start: 0.8097 (m) cc_final: 0.7205 (p) REVERT: C 319 MET cc_start: 0.6839 (mmm) cc_final: 0.6056 (mmm) REVERT: C 348 GLN cc_start: 0.7263 (tm-30) cc_final: 0.6580 (tm-30) REVERT: C 349 PHE cc_start: 0.7000 (m-80) cc_final: 0.6797 (m-80) REVERT: C 351 ASP cc_start: 0.7843 (p0) cc_final: 0.7217 (p0) REVERT: C 358 LYS cc_start: 0.7415 (tptt) cc_final: 0.6657 (tptt) REVERT: C 362 ASN cc_start: 0.7909 (t0) cc_final: 0.7512 (t0) REVERT: C 376 LYS cc_start: 0.7639 (tmtt) cc_final: 0.7253 (tmtt) REVERT: C 378 GLN cc_start: 0.8143 (mm-40) cc_final: 0.7278 (mm-40) REVERT: C 379 ARG cc_start: 0.7815 (ptp90) cc_final: 0.7481 (mtm-85) REVERT: C 383 MET cc_start: 0.7030 (tpt) cc_final: 0.6692 (tpt) REVERT: C 386 ASN cc_start: 0.6479 (t0) cc_final: 0.6123 (t0) REVERT: C 397 LEU cc_start: 0.7471 (mp) cc_final: 0.7178 (mp) REVERT: C 400 LYS cc_start: 0.7071 (ptpt) cc_final: 0.6464 (pttm) REVERT: C 401 PHE cc_start: 0.7582 (t80) cc_final: 0.6994 (t80) REVERT: C 404 MET cc_start: 0.7223 (mtm) cc_final: 0.6629 (mtm) REVERT: C 407 LYS cc_start: 0.8136 (mmmt) cc_final: 0.7877 (mmmm) REVERT: C 410 PHE cc_start: 0.8422 (m-80) cc_final: 0.7589 (m-80) REVERT: C 419 MET cc_start: 0.7398 (mmp) cc_final: 0.6658 (mmm) REVERT: C 423 GLU cc_start: 0.7426 (pm20) cc_final: 0.6890 (pm20) REVERT: C 426 GLU cc_start: 0.7343 (tp30) cc_final: 0.6622 (tp30) REVERT: C 430 ASP cc_start: 0.7753 (t0) cc_final: 0.7364 (t0) REVERT: C 440 GLU cc_start: 0.8175 (tt0) cc_final: 0.7657 (pt0) REVERT: L 2 ARG cc_start: 0.8226 (mtm110) cc_final: 0.7372 (mmm160) REVERT: L 4 ILE cc_start: 0.8392 (mp) cc_final: 0.8095 (mp) REVERT: L 15 GLN cc_start: 0.8748 (mm-40) cc_final: 0.8546 (mm-40) REVERT: L 22 GLU cc_start: 0.8526 (mt-10) cc_final: 0.8166 (mt-10) REVERT: L 24 ILE cc_start: 0.9076 (pt) cc_final: 0.8733 (pt) REVERT: L 41 ASP cc_start: 0.8603 (p0) cc_final: 0.8333 (p0) REVERT: L 45 GLU cc_start: 0.8050 (pp20) cc_final: 0.7603 (pp20) REVERT: L 46 ARG cc_start: 0.8353 (mmt180) cc_final: 0.8039 (tpp80) REVERT: L 53 GLU cc_start: 0.7587 (tp30) cc_final: 0.6497 (tp30) REVERT: L 59 TYR cc_start: 0.6462 (m-80) cc_final: 0.5951 (m-80) REVERT: L 66 VAL cc_start: 0.7929 (m) cc_final: 0.7516 (p) REVERT: L 73 MET cc_start: 0.8413 (mmt) cc_final: 0.7574 (mmt) REVERT: L 74 ASP cc_start: 0.7592 (m-30) cc_final: 0.7343 (m-30) REVERT: L 121 ARG cc_start: 0.8001 (mmm-85) cc_final: 0.7779 (mmm-85) REVERT: L 147 MET cc_start: 0.6555 (tmm) cc_final: 0.5930 (tmm) REVERT: L 155 ILE cc_start: 0.8130 (mt) cc_final: 0.7805 (tp) REVERT: L 158 GLU cc_start: 0.8176 (tt0) cc_final: 0.7956 (tt0) REVERT: L 164 MET cc_start: 0.7790 (tpp) cc_final: 0.7492 (mmm) REVERT: L 184 ASN cc_start: 0.7824 (m-40) cc_final: 0.7511 (m-40) REVERT: L 187 LEU cc_start: 0.8750 (mt) cc_final: 0.8167 (mt) REVERT: L 194 GLU cc_start: 0.7299 (pt0) cc_final: 0.6985 (pt0) REVERT: L 224 ASP cc_start: 0.7047 (m-30) cc_final: 0.6796 (m-30) REVERT: L 257 MET cc_start: 0.7904 (mmm) cc_final: 0.7506 (tpp) REVERT: L 262 ARG cc_start: 0.6925 (mtm-85) cc_final: 0.6511 (mtm-85) REVERT: L 264 HIS cc_start: 0.7390 (p-80) cc_final: 0.6991 (p-80) REVERT: L 265 PHE cc_start: 0.8425 (m-80) cc_final: 0.7228 (m-80) REVERT: L 276 ARG cc_start: 0.6863 (tpm170) cc_final: 0.6299 (tpm170) REVERT: L 279 GLN cc_start: 0.7178 (tp40) cc_final: 0.6801 (tp40) REVERT: L 293 MET cc_start: 0.7513 (mtp) cc_final: 0.7024 (mtp) REVERT: L 295 ASP cc_start: 0.8231 (t70) cc_final: 0.7213 (p0) REVERT: L 299 MET cc_start: 0.7473 (ppp) cc_final: 0.6910 (ppp) REVERT: L 300 MET cc_start: 0.7481 (mtm) cc_final: 0.6640 (mtm) REVERT: L 321 MET cc_start: 0.7777 (ppp) cc_final: 0.6987 (ppp) REVERT: L 323 MET cc_start: 0.7851 (mmp) cc_final: 0.7440 (mmp) REVERT: L 324 LYS cc_start: 0.8110 (ttpt) cc_final: 0.7628 (ttpt) REVERT: L 325 GLU cc_start: 0.8062 (mt-10) cc_final: 0.7604 (mt-10) REVERT: L 327 ASP cc_start: 0.7750 (m-30) cc_final: 0.6813 (m-30) REVERT: L 330 MET cc_start: 0.6720 (ppp) cc_final: 0.6518 (ppp) REVERT: L 335 ASN cc_start: 0.7535 (m110) cc_final: 0.7265 (m110) REVERT: L 347 ASN cc_start: 0.7801 (t0) cc_final: 0.7209 (t0) REVERT: L 350 LYS cc_start: 0.8240 (tptp) cc_final: 0.7939 (tptp) REVERT: L 353 VAL cc_start: 0.8124 (p) cc_final: 0.7851 (p) REVERT: L 355 ASP cc_start: 0.7723 (m-30) cc_final: 0.7458 (m-30) REVERT: L 362 LYS cc_start: 0.7856 (mmmt) cc_final: 0.7524 (mmmm) REVERT: L 375 GLN cc_start: 0.8625 (pt0) cc_final: 0.7959 (pt0) REVERT: L 404 ASP cc_start: 0.7302 (t0) cc_final: 0.7005 (t0) REVERT: L 408 PHE cc_start: 0.8082 (m-80) cc_final: 0.7341 (m-80) REVERT: L 421 GLU cc_start: 0.8132 (tt0) cc_final: 0.7332 (tt0) REVERT: L 422 TYR cc_start: 0.8156 (m-80) cc_final: 0.7518 (m-80) REVERT: U 32 LYS cc_start: 0.6759 (tttt) cc_final: 0.6479 (tttt) REVERT: U 44 LYS cc_start: 0.6538 (pttm) cc_final: 0.5942 (pttm) REVERT: U 46 TYR cc_start: 0.6508 (m-80) cc_final: 0.5799 (m-80) REVERT: U 59 GLU cc_start: 0.4654 (tp30) cc_final: 0.4326 (tp30) REVERT: U 105 MET cc_start: 0.5922 (ptt) cc_final: 0.4993 (ppp) REVERT: U 116 PHE cc_start: 0.6053 (m-10) cc_final: 0.5705 (m-10) REVERT: U 180 MET cc_start: 0.6046 (mmp) cc_final: 0.5815 (mmp) REVERT: U 250 GLU cc_start: 0.6974 (mm-30) cc_final: 0.6608 (mm-30) REVERT: U 256 LYS cc_start: 0.7563 (mmmt) cc_final: 0.7156 (mmmm) REVERT: U 313 LYS cc_start: 0.7435 (mtmm) cc_final: 0.7226 (mtmm) REVERT: U 323 LYS cc_start: 0.7254 (tptm) cc_final: 0.6835 (tptm) REVERT: D 11 GLN cc_start: 0.5300 (tm-30) cc_final: 0.5013 (tm-30) REVERT: D 21 TRP cc_start: 0.8362 (m100) cc_final: 0.8082 (m100) REVERT: D 22 GLU cc_start: 0.7940 (pt0) cc_final: 0.7182 (pt0) REVERT: D 35 GLN cc_start: 0.7230 (pm20) cc_final: 0.6878 (pm20) REVERT: D 93 PHE cc_start: 0.6776 (m-80) cc_final: 0.6460 (m-80) REVERT: D 102 LYS cc_start: 0.7526 (tptp) cc_final: 0.6386 (tptp) REVERT: D 108 ASN cc_start: 0.7022 (t0) cc_final: 0.6450 (t0) REVERT: D 118 LYS cc_start: 0.8606 (mmtt) cc_final: 0.7971 (mmtt) REVERT: D 122 ASP cc_start: 0.7550 (p0) cc_final: 0.7317 (p0) REVERT: D 158 LEU cc_start: 0.8377 (tp) cc_final: 0.7991 (tp) REVERT: D 172 LYS cc_start: 0.7043 (mtmm) cc_final: 0.6400 (mtmm) REVERT: D 174 GLU cc_start: 0.6782 (mp0) cc_final: 0.5720 (mp0) REVERT: D 182 GLN cc_start: 0.7286 (pm20) cc_final: 0.6647 (pm20) REVERT: D 196 THR cc_start: 0.8412 (t) cc_final: 0.7363 (m) REVERT: D 198 HIS cc_start: 0.8597 (t-90) cc_final: 0.8325 (t-90) REVERT: D 201 LEU cc_start: 0.7758 (tt) cc_final: 0.7238 (tt) REVERT: D 202 GLU cc_start: 0.6812 (pm20) cc_final: 0.6593 (pm20) REVERT: D 222 ASN cc_start: 0.8581 (m-40) cc_final: 0.8214 (m-40) REVERT: D 255 ASN cc_start: 0.6813 (m-40) cc_final: 0.6574 (m-40) REVERT: D 265 LEU cc_start: 0.7631 (mp) cc_final: 0.7095 (mm) REVERT: D 270 ARG cc_start: 0.6956 (mmm-85) cc_final: 0.6496 (tpp80) REVERT: D 272 HIS cc_start: 0.7021 (p90) cc_final: 0.6079 (p90) REVERT: D 286 LYS cc_start: 0.8330 (mtpp) cc_final: 0.7981 (ttmt) REVERT: D 308 MET cc_start: 0.7831 (mmm) cc_final: 0.7370 (mtp) REVERT: D 317 LYS cc_start: 0.6280 (mttm) cc_final: 0.5372 (mtmm) REVERT: D 319 MET cc_start: 0.6189 (mmm) cc_final: 0.5608 (mmm) REVERT: D 338 ILE cc_start: 0.8720 (pt) cc_final: 0.8237 (tp) REVERT: D 344 LYS cc_start: 0.8188 (ttpt) cc_final: 0.7696 (ttpt) REVERT: D 348 GLN cc_start: 0.7533 (pp30) cc_final: 0.6213 (pm20) REVERT: D 363 TYR cc_start: 0.6815 (m-80) cc_final: 0.6189 (m-80) REVERT: D 384 LEU cc_start: 0.8285 (mm) cc_final: 0.7978 (mm) REVERT: D 396 ARG cc_start: 0.8705 (ptt90) cc_final: 0.8379 (ptt90) REVERT: D 401 PHE cc_start: 0.7494 (t80) cc_final: 0.7061 (t80) REVERT: D 407 LYS cc_start: 0.8686 (mmmt) cc_final: 0.8455 (mmmt) REVERT: D 410 PHE cc_start: 0.8799 (m-80) cc_final: 0.8209 (m-80) REVERT: D 440 GLU cc_start: 0.8056 (tt0) cc_final: 0.7733 (tt0) REVERT: M 3 GLU cc_start: 0.6658 (mp0) cc_final: 0.6288 (mp0) REVERT: M 5 VAL cc_start: 0.5957 (t) cc_final: 0.5753 (t) REVERT: M 14 ASN cc_start: 0.8495 (m110) cc_final: 0.7979 (m110) REVERT: M 22 GLU cc_start: 0.8273 (mt-10) cc_final: 0.7656 (mt-10) REVERT: M 26 ASP cc_start: 0.7680 (m-30) cc_final: 0.7401 (m-30) REVERT: M 46 ARG cc_start: 0.8153 (mmt180) cc_final: 0.7891 (tpp80) REVERT: M 47 ILE cc_start: 0.8111 (tt) cc_final: 0.7803 (tt) REVERT: M 59 TYR cc_start: 0.7947 (m-80) cc_final: 0.7617 (m-80) REVERT: M 62 ARG cc_start: 0.8158 (ptp-110) cc_final: 0.7588 (ptp-110) REVERT: M 73 MET cc_start: 0.8262 (mmt) cc_final: 0.7309 (mmt) REVERT: M 123 GLU cc_start: 0.7807 (mm-30) cc_final: 0.7589 (mm-30) REVERT: M 133 PHE cc_start: 0.6544 (m-80) cc_final: 0.5534 (m-80) REVERT: M 147 MET cc_start: 0.5923 (tmm) cc_final: 0.5242 (tmm) REVERT: M 157 GLU cc_start: 0.8470 (pt0) cc_final: 0.8207 (pt0) REVERT: M 179 VAL cc_start: 0.8469 (t) cc_final: 0.8225 (t) REVERT: M 181 GLU cc_start: 0.8209 (pt0) cc_final: 0.7497 (pt0) REVERT: M 204 ASN cc_start: 0.8441 (m-40) cc_final: 0.8197 (m-40) REVERT: M 224 ASP cc_start: 0.7431 (m-30) cc_final: 0.7129 (m-30) REVERT: M 267 MET cc_start: 0.7827 (mtt) cc_final: 0.7154 (mtt) REVERT: M 270 PHE cc_start: 0.6990 (t80) cc_final: 0.6755 (t80) REVERT: M 276 ARG cc_start: 0.7218 (tpm170) cc_final: 0.7000 (tpm170) REVERT: M 286 VAL cc_start: 0.8818 (m) cc_final: 0.8540 (p) REVERT: M 293 MET cc_start: 0.7399 (mtm) cc_final: 0.7160 (mtm) REVERT: M 295 ASP cc_start: 0.8138 (t70) cc_final: 0.7740 (t70) REVERT: M 300 MET cc_start: 0.7474 (mtt) cc_final: 0.6726 (mmm) REVERT: M 327 ASP cc_start: 0.7618 (m-30) cc_final: 0.7089 (m-30) REVERT: M 330 MET cc_start: 0.7446 (ppp) cc_final: 0.7116 (ppp) REVERT: M 337 ASN cc_start: 0.7522 (m-40) cc_final: 0.6695 (m-40) REVERT: M 340 TYR cc_start: 0.7246 (m-80) cc_final: 0.6561 (m-80) REVERT: M 344 TRP cc_start: 0.7143 (p-90) cc_final: 0.6803 (p-90) REVERT: M 353 VAL cc_start: 0.8195 (m) cc_final: 0.7844 (p) REVERT: M 380 ARG cc_start: 0.8095 (ptp-170) cc_final: 0.7541 (ptp-170) REVERT: M 383 GLU cc_start: 0.7675 (pp20) cc_final: 0.7251 (pp20) REVERT: M 384 GLN cc_start: 0.8265 (mt0) cc_final: 0.7731 (mt0) REVERT: M 388 MET cc_start: 0.7843 (mtp) cc_final: 0.7401 (mtp) REVERT: M 397 TRP cc_start: 0.7992 (m100) cc_final: 0.7672 (m100) REVERT: M 404 ASP cc_start: 0.8107 (t0) cc_final: 0.7898 (t70) REVERT: M 415 MET cc_start: 0.8057 (mmm) cc_final: 0.7369 (mmm) REVERT: M 421 GLU cc_start: 0.7476 (tt0) cc_final: 0.6907 (tt0) REVERT: V 12 MET cc_start: 0.6851 (mpp) cc_final: 0.6281 (mpp) REVERT: V 32 LYS cc_start: 0.7669 (tttt) cc_final: 0.7371 (tptt) REVERT: V 33 PHE cc_start: 0.6449 (m-80) cc_final: 0.5929 (m-80) REVERT: V 87 THR cc_start: 0.5951 (p) cc_final: 0.5565 (p) REVERT: V 197 MET cc_start: 0.7052 (tpt) cc_final: 0.6166 (tpt) REVERT: V 198 ASN cc_start: 0.5999 (t0) cc_final: 0.5424 (t0) REVERT: V 226 LYS cc_start: 0.6954 (mtmt) cc_final: 0.6712 (mtmt) REVERT: V 256 LYS cc_start: 0.8068 (mmmt) cc_final: 0.7327 (mmmt) REVERT: V 274 TYR cc_start: 0.5384 (t80) cc_final: 0.4204 (t80) REVERT: V 313 LYS cc_start: 0.8217 (mtmt) cc_final: 0.7906 (mtmt) REVERT: E 22 GLU cc_start: 0.7625 (pt0) cc_final: 0.7277 (pt0) REVERT: E 36 MET cc_start: 0.7990 (ttm) cc_final: 0.7762 (ttm) REVERT: E 70 ARG cc_start: 0.6905 (mtt90) cc_final: 0.6420 (mtt90) REVERT: E 76 LEU cc_start: 0.7505 (mt) cc_final: 0.7247 (mt) REVERT: E 85 ARG cc_start: 0.7694 (mtt180) cc_final: 0.7404 (mtt180) REVERT: E 90 ARG cc_start: 0.6797 (mtm-85) cc_final: 0.6295 (mtm-85) REVERT: E 127 ARG cc_start: 0.7296 (mmm-85) cc_final: 0.6682 (mmm160) REVERT: E 129 ARG cc_start: 0.8004 (ttm-80) cc_final: 0.7355 (ttm-80) REVERT: E 141 PHE cc_start: 0.7275 (m-80) cc_final: 0.6801 (m-10) REVERT: E 144 PHE cc_start: 0.7652 (m-80) cc_final: 0.7266 (m-80) REVERT: E 172 LYS cc_start: 0.8040 (mtmm) cc_final: 0.7616 (mtmm) REVERT: E 175 PHE cc_start: 0.7453 (m-10) cc_final: 0.7188 (m-80) REVERT: E 220 ARG cc_start: 0.7158 (tpp80) cc_final: 0.6793 (tpp80) REVERT: E 225 ILE cc_start: 0.6544 (mm) cc_final: 0.6234 (tp) REVERT: E 235 ARG cc_start: 0.8581 (tpp80) cc_final: 0.7989 (mmm-85) REVERT: E 241 VAL cc_start: 0.8112 (t) cc_final: 0.7887 (t) REVERT: E 248 LEU cc_start: 0.8662 (mt) cc_final: 0.8280 (mm) REVERT: E 254 LEU cc_start: 0.7974 (tt) cc_final: 0.7665 (tt) REVERT: E 255 ASN cc_start: 0.6563 (m110) cc_final: 0.6325 (m-40) REVERT: E 277 THR cc_start: 0.7410 (t) cc_final: 0.6124 (m) REVERT: E 286 LYS cc_start: 0.8450 (mttp) cc_final: 0.8184 (mtpt) REVERT: E 306 ASN cc_start: 0.8065 (t0) cc_final: 0.7109 (t0) REVERT: E 319 MET cc_start: 0.6442 (mmm) cc_final: 0.5724 (mmm) REVERT: E 342 LYS cc_start: 0.8846 (mtpp) cc_final: 0.8527 (mtmm) REVERT: E 358 LYS cc_start: 0.7299 (tptp) cc_final: 0.6928 (tppt) REVERT: E 378 GLN cc_start: 0.7903 (mm110) cc_final: 0.7634 (mm110) REVERT: E 382 CYS cc_start: 0.7497 (t) cc_final: 0.7159 (t) REVERT: E 383 MET cc_start: 0.6755 (tpt) cc_final: 0.6144 (tpt) REVERT: E 384 LEU cc_start: 0.7223 (mm) cc_final: 0.6957 (mm) REVERT: E 401 PHE cc_start: 0.8335 (t80) cc_final: 0.7974 (t80) REVERT: E 431 MET cc_start: 0.8202 (tpp) cc_final: 0.7380 (ptt) REVERT: E 439 GLU cc_start: 0.7860 (pt0) cc_final: 0.7644 (pt0) REVERT: N 20 PHE cc_start: 0.8510 (t80) cc_final: 0.7711 (t80) REVERT: N 35 SER cc_start: 0.6900 (p) cc_final: 0.6649 (t) REVERT: N 73 MET cc_start: 0.8414 (mmt) cc_final: 0.8168 (mmt) REVERT: N 83 GLN cc_start: 0.7612 (mm-40) cc_final: 0.6826 (mm-40) REVERT: N 94 GLN cc_start: 0.7364 (tm-30) cc_final: 0.7037 (tm-30) REVERT: N 106 TYR cc_start: 0.8018 (m-80) cc_final: 0.7784 (m-10) REVERT: N 121 ARG cc_start: 0.8081 (ttm-80) cc_final: 0.7736 (ttm-80) REVERT: N 129 CYS cc_start: 0.7809 (t) cc_final: 0.7545 (t) REVERT: N 131 GLN cc_start: 0.6475 (tp40) cc_final: 0.6213 (tp40) REVERT: N 134 GLN cc_start: 0.6531 (tt0) cc_final: 0.6244 (tt0) REVERT: N 150 LEU cc_start: 0.7998 (tp) cc_final: 0.7678 (tt) REVERT: N 158 GLU cc_start: 0.8098 (tt0) cc_final: 0.7879 (tt0) REVERT: N 159 TYR cc_start: 0.8476 (m-80) cc_final: 0.7659 (m-10) REVERT: N 164 MET cc_start: 0.6919 (mmp) cc_final: 0.5908 (mmp) REVERT: N 181 GLU cc_start: 0.7812 (pt0) cc_final: 0.7534 (pt0) REVERT: N 197 ASP cc_start: 0.6712 (m-30) cc_final: 0.6334 (m-30) REVERT: N 200 TYR cc_start: 0.7843 (m-80) cc_final: 0.6215 (m-80) REVERT: N 233 MET cc_start: 0.7913 (mtp) cc_final: 0.7188 (mtp) REVERT: N 257 MET cc_start: 0.6898 (mmm) cc_final: 0.6140 (mmm) REVERT: N 264 HIS cc_start: 0.7724 (p-80) cc_final: 0.7033 (p-80) REVERT: N 265 PHE cc_start: 0.8522 (m-80) cc_final: 0.8007 (m-80) REVERT: N 267 MET cc_start: 0.7777 (mtt) cc_final: 0.7532 (mtt) REVERT: N 270 PHE cc_start: 0.7349 (t80) cc_final: 0.6913 (t80) REVERT: N 276 ARG cc_start: 0.7362 (tpm170) cc_final: 0.6347 (tpm170) REVERT: N 280 GLN cc_start: 0.8087 (mp10) cc_final: 0.7597 (mp10) REVERT: N 282 ARG cc_start: 0.7076 (ttt180) cc_final: 0.6837 (mmm-85) REVERT: N 290 THR cc_start: 0.8386 (m) cc_final: 0.7973 (p) REVERT: N 292 GLN cc_start: 0.7124 (tm-30) cc_final: 0.6827 (tm-30) REVERT: N 293 MET cc_start: 0.7811 (mtp) cc_final: 0.7519 (mtp) REVERT: N 295 ASP cc_start: 0.8128 (t70) cc_final: 0.7768 (t70) REVERT: N 299 MET cc_start: 0.6775 (ptt) cc_final: 0.6461 (ptt) REVERT: N 300 MET cc_start: 0.7617 (mtt) cc_final: 0.6681 (mpp) REVERT: N 318 ARG cc_start: 0.6188 (mtp180) cc_final: 0.5807 (tpp80) REVERT: N 340 TYR cc_start: 0.6699 (m-80) cc_final: 0.6192 (m-80) REVERT: N 375 GLN cc_start: 0.8460 (pp30) cc_final: 0.7694 (pp30) REVERT: N 379 LYS cc_start: 0.8478 (ptpt) cc_final: 0.8117 (ptpt) REVERT: N 385 PHE cc_start: 0.7503 (t80) cc_final: 0.7066 (t80) REVERT: N 388 MET cc_start: 0.7413 (mtp) cc_final: 0.6870 (mtp) REVERT: N 392 LYS cc_start: 0.7928 (mtmm) cc_final: 0.7473 (mtmm) REVERT: N 404 ASP cc_start: 0.7606 (t70) cc_final: 0.7160 (t70) REVERT: N 406 MET cc_start: 0.8011 (mmp) cc_final: 0.7737 (mmp) REVERT: N 407 GLU cc_start: 0.7541 (mt-10) cc_final: 0.7286 (mt-10) REVERT: N 415 MET cc_start: 0.8287 (mmm) cc_final: 0.7817 (mmm) REVERT: N 422 TYR cc_start: 0.8981 (m-80) cc_final: 0.8757 (m-80) REVERT: W 40 VAL cc_start: 0.6513 (t) cc_final: 0.6099 (p) REVERT: W 64 ASP cc_start: 0.8107 (t0) cc_final: 0.7818 (t0) REVERT: W 92 THR cc_start: 0.6712 (m) cc_final: 0.6455 (p) REVERT: W 95 MET cc_start: 0.6653 (mpp) cc_final: 0.6233 (mpp) REVERT: W 133 SER cc_start: 0.5877 (p) cc_final: 0.5668 (p) REVERT: W 134 TYR cc_start: 0.5616 (t80) cc_final: 0.5193 (t80) REVERT: W 198 ASN cc_start: 0.4609 (t0) cc_final: 0.4297 (t0) REVERT: W 228 TYR cc_start: 0.6544 (m-80) cc_final: 0.5491 (m-80) REVERT: W 249 ASP cc_start: 0.7276 (m-30) cc_final: 0.6913 (m-30) REVERT: W 309 GLU cc_start: 0.6735 (mt-10) cc_final: 0.6506 (mt-10) REVERT: W 313 LYS cc_start: 0.8762 (mtmt) cc_final: 0.8482 (mtmt) REVERT: F 11 GLN cc_start: 0.6358 (tp-100) cc_final: 0.5910 (tp-100) REVERT: F 24 TYR cc_start: 0.8313 (m-80) cc_final: 0.8055 (m-80) REVERT: F 27 GLU cc_start: 0.7567 (mt-10) cc_final: 0.7208 (mt-10) REVERT: F 36 MET cc_start: 0.7192 (tmm) cc_final: 0.6895 (tmm) REVERT: F 74 VAL cc_start: 0.7568 (m) cc_final: 0.7019 (p) REVERT: F 83 GLU cc_start: 0.6644 (pm20) cc_final: 0.6025 (pm20) REVERT: F 108 ASN cc_start: 0.6596 (t0) cc_final: 0.6213 (t0) REVERT: F 114 TYR cc_start: 0.7775 (m-80) cc_final: 0.7354 (m-80) REVERT: F 119 GLU cc_start: 0.7871 (pp20) cc_final: 0.7405 (pp20) REVERT: F 155 PHE cc_start: 0.7973 (t80) cc_final: 0.7237 (t80) REVERT: F 169 LYS cc_start: 0.7479 (ptmm) cc_final: 0.7153 (ptmm) REVERT: F 174 GLU cc_start: 0.6584 (mp0) cc_final: 0.6137 (mp0) REVERT: F 192 ASN cc_start: 0.8250 (m-40) cc_final: 0.7569 (m-40) REVERT: F 206 CYS cc_start: 0.6973 (p) cc_final: 0.6290 (p) REVERT: F 232 ASN cc_start: 0.7856 (m-40) cc_final: 0.7526 (p0) REVERT: F 235 ARG cc_start: 0.7292 (mtt-85) cc_final: 0.6526 (mmm160) REVERT: F 340 THR cc_start: 0.8635 (p) cc_final: 0.8384 (m) REVERT: F 341 ILE cc_start: 0.8910 (mm) cc_final: 0.8684 (mm) REVERT: F 348 GLN cc_start: 0.7387 (tt0) cc_final: 0.7035 (tm-30) REVERT: F 376 LYS cc_start: 0.7753 (tmtt) cc_final: 0.7491 (tmtt) REVERT: F 379 ARG cc_start: 0.7735 (ptp90) cc_final: 0.6676 (ptp90) REVERT: F 382 CYS cc_start: 0.7996 (t) cc_final: 0.7646 (t) REVERT: F 383 MET cc_start: 0.7574 (tpt) cc_final: 0.7259 (tpt) REVERT: F 400 LYS cc_start: 0.6203 (ptpt) cc_final: 0.5834 (ptmt) REVERT: F 401 PHE cc_start: 0.7302 (t80) cc_final: 0.6902 (t80) REVERT: F 407 LYS cc_start: 0.8212 (tppp) cc_final: 0.7985 (tppp) REVERT: F 410 PHE cc_start: 0.8484 (m-80) cc_final: 0.8229 (m-80) REVERT: F 414 TYR cc_start: 0.8592 (m-10) cc_final: 0.8202 (m-80) REVERT: F 419 MET cc_start: 0.4938 (mmp) cc_final: 0.4630 (mtt) REVERT: F 426 GLU cc_start: 0.7056 (tp30) cc_final: 0.6501 (tp30) REVERT: F 430 ASP cc_start: 0.7773 (t0) cc_final: 0.7065 (t0) REVERT: F 434 LEU cc_start: 0.7652 (mt) cc_final: 0.7227 (mm) REVERT: O 15 GLN cc_start: 0.8669 (mm110) cc_final: 0.8315 (mm-40) REVERT: O 22 GLU cc_start: 0.8289 (mt-10) cc_final: 0.7550 (mt-10) REVERT: O 46 ARG cc_start: 0.8580 (mmm-85) cc_final: 0.8140 (mmm-85) REVERT: O 53 GLU cc_start: 0.7547 (tp30) cc_final: 0.6891 (tp30) REVERT: O 62 ARG cc_start: 0.7394 (ptp-110) cc_final: 0.6898 (ptp-110) REVERT: O 74 ASP cc_start: 0.7404 (m-30) cc_final: 0.7158 (m-30) REVERT: O 108 GLU cc_start: 0.5918 (mp0) cc_final: 0.5286 (mp0) REVERT: O 117 LEU cc_start: 0.7744 (mm) cc_final: 0.7350 (mt) REVERT: O 121 ARG cc_start: 0.7429 (mtt180) cc_final: 0.6909 (mtt-85) REVERT: O 122 LYS cc_start: 0.7896 (ptmm) cc_final: 0.7516 (ptmm) REVERT: O 123 GLU cc_start: 0.7379 (tp30) cc_final: 0.7012 (tp30) REVERT: O 131 GLN cc_start: 0.6591 (tp-100) cc_final: 0.6057 (tp-100) REVERT: O 147 MET cc_start: 0.6497 (tmm) cc_final: 0.6035 (tmm) REVERT: O 157 GLU cc_start: 0.8070 (pt0) cc_final: 0.7740 (pt0) REVERT: O 158 GLU cc_start: 0.7979 (tt0) cc_final: 0.7300 (tt0) REVERT: O 164 MET cc_start: 0.7625 (mmm) cc_final: 0.7333 (mmm) REVERT: O 165 ASN cc_start: 0.7252 (m-40) cc_final: 0.6546 (t0) REVERT: O 179 VAL cc_start: 0.8537 (m) cc_final: 0.8202 (p) REVERT: O 184 ASN cc_start: 0.7638 (m-40) cc_final: 0.7219 (m-40) REVERT: O 210 ILE cc_start: 0.8740 (mt) cc_final: 0.8520 (mt) REVERT: O 240 LEU cc_start: 0.7799 (pp) cc_final: 0.7143 (mp) REVERT: O 249 ASP cc_start: 0.6912 (t0) cc_final: 0.6390 (t70) REVERT: O 257 MET cc_start: 0.7075 (mmp) cc_final: 0.6824 (mmp) REVERT: O 262 ARG cc_start: 0.7953 (mtt180) cc_final: 0.7267 (mtm-85) REVERT: O 265 PHE cc_start: 0.7921 (m-80) cc_final: 0.6903 (m-80) REVERT: O 267 MET cc_start: 0.7565 (ttm) cc_final: 0.7278 (ttm) REVERT: O 276 ARG cc_start: 0.7233 (tpm170) cc_final: 0.6210 (tpm170) REVERT: O 280 GLN cc_start: 0.7889 (pp30) cc_final: 0.7282 (pp30) REVERT: O 289 LEU cc_start: 0.8360 (pp) cc_final: 0.8035 (pp) REVERT: O 290 THR cc_start: 0.8312 (m) cc_final: 0.7743 (p) REVERT: O 292 GLN cc_start: 0.7975 (tt0) cc_final: 0.7705 (tt0) REVERT: O 293 MET cc_start: 0.7674 (mtp) cc_final: 0.6823 (mtp) REVERT: O 295 ASP cc_start: 0.8142 (t0) cc_final: 0.7939 (t70) REVERT: O 300 MET cc_start: 0.6987 (mtt) cc_final: 0.6524 (mtm) REVERT: O 321 MET cc_start: 0.7547 (pmm) cc_final: 0.6917 (pmm) REVERT: O 324 LYS cc_start: 0.7958 (ttpt) cc_final: 0.7670 (ttpt) REVERT: O 327 ASP cc_start: 0.7907 (m-30) cc_final: 0.6872 (m-30) REVERT: O 329 GLN cc_start: 0.8341 (mm-40) cc_final: 0.8100 (mt0) REVERT: O 330 MET cc_start: 0.7269 (ppp) cc_final: 0.6835 (ppp) REVERT: O 331 LEU cc_start: 0.7971 (tp) cc_final: 0.7697 (tp) REVERT: O 374 ILE cc_start: 0.7786 (tp) cc_final: 0.7497 (tp) REVERT: O 380 ARG cc_start: 0.8099 (ptm-80) cc_final: 0.7890 (ptm-80) REVERT: O 401 GLU cc_start: 0.7423 (mm-30) cc_final: 0.7145 (mm-30) REVERT: O 403 MET cc_start: 0.5424 (ttt) cc_final: 0.5185 (ttt) REVERT: O 404 ASP cc_start: 0.6760 (t0) cc_final: 0.5364 (t0) REVERT: O 408 PHE cc_start: 0.7752 (m-80) cc_final: 0.6600 (m-80) REVERT: O 415 MET cc_start: 0.7924 (mmm) cc_final: 0.7242 (mmm) REVERT: O 418 LEU cc_start: 0.8520 (mm) cc_final: 0.8268 (pp) REVERT: O 421 GLU cc_start: 0.7413 (tt0) cc_final: 0.6728 (tt0) REVERT: O 422 TYR cc_start: 0.7986 (m-80) cc_final: 0.7552 (m-80) REVERT: O 423 GLN cc_start: 0.7616 (tm-30) cc_final: 0.7365 (tm-30) REVERT: X 12 MET cc_start: 0.4968 (mtm) cc_final: 0.4363 (mtm) REVERT: X 19 ASN cc_start: 0.6308 (m-40) cc_final: 0.5069 (m-40) REVERT: X 22 GLU cc_start: 0.6369 (mt-10) cc_final: 0.5868 (mt-10) REVERT: X 48 PHE cc_start: 0.5095 (m-80) cc_final: 0.4799 (m-80) REVERT: X 51 VAL cc_start: 0.6322 (t) cc_final: 0.6089 (m) REVERT: X 116 PHE cc_start: 0.5803 (m-10) cc_final: 0.5497 (m-10) REVERT: X 137 ILE cc_start: 0.4387 (tp) cc_final: 0.3308 (mp) REVERT: X 180 MET cc_start: 0.6354 (mmt) cc_final: 0.6094 (mmt) REVERT: X 197 MET cc_start: 0.6069 (tpt) cc_final: 0.5044 (tpt) REVERT: X 250 GLU cc_start: 0.6877 (mm-30) cc_final: 0.6398 (mm-30) REVERT: X 313 LYS cc_start: 0.7192 (mtmt) cc_final: 0.6919 (mtmt) REVERT: X 323 LYS cc_start: 0.6327 (tptm) cc_final: 0.6107 (tptm) REVERT: G 16 ILE cc_start: 0.7857 (mt) cc_final: 0.7446 (mm) REVERT: G 23 LEU cc_start: 0.8129 (tt) cc_final: 0.7784 (tp) REVERT: G 70 ARG cc_start: 0.6922 (mtt90) cc_final: 0.6132 (mtt90) REVERT: G 89 TYR cc_start: 0.5486 (m-80) cc_final: 0.5081 (m-80) REVERT: G 90 ARG cc_start: 0.6636 (mtm-85) cc_final: 0.6210 (mtm-85) REVERT: G 97 GLN cc_start: 0.7190 (mt0) cc_final: 0.6918 (mt0) REVERT: G 118 LYS cc_start: 0.8553 (mmtt) cc_final: 0.8014 (mmtt) REVERT: G 119 GLU cc_start: 0.7534 (pp20) cc_final: 0.7129 (pp20) REVERT: G 122 ASP cc_start: 0.6740 (p0) cc_final: 0.6532 (p0) REVERT: G 153 SER cc_start: 0.7615 (p) cc_final: 0.7171 (p) REVERT: G 174 GLU cc_start: 0.5962 (mp0) cc_final: 0.5220 (mp0) REVERT: G 209 MET cc_start: 0.6974 (mpp) cc_final: 0.6221 (mpp) REVERT: G 215 ILE cc_start: 0.7928 (tt) cc_final: 0.7598 (tt) REVERT: G 240 ILE cc_start: 0.7318 (mt) cc_final: 0.6959 (mt) REVERT: G 250 PHE cc_start: 0.7385 (m-80) cc_final: 0.7148 (m-80) REVERT: G 267 PRO cc_start: 0.7698 (Cg_endo) cc_final: 0.7435 (Cg_exo) REVERT: G 272 HIS cc_start: 0.6297 (p90) cc_final: 0.6085 (p90) REVERT: G 286 LYS cc_start: 0.7886 (ttmt) cc_final: 0.7588 (ttmt) REVERT: G 293 THR cc_start: 0.8152 (t) cc_final: 0.7708 (t) REVERT: G 308 MET cc_start: 0.7951 (mmm) cc_final: 0.7425 (mtt) REVERT: G 317 LYS cc_start: 0.5789 (mttm) cc_final: 0.5443 (mtpp) REVERT: G 319 MET cc_start: 0.6129 (mmm) cc_final: 0.5612 (mmm) REVERT: G 322 CYS cc_start: 0.6454 (p) cc_final: 0.6088 (p) REVERT: G 323 LEU cc_start: 0.7788 (mp) cc_final: 0.7549 (mp) REVERT: G 328 ASP cc_start: 0.6683 (p0) cc_final: 0.6108 (p0) REVERT: G 329 VAL cc_start: 0.8376 (t) cc_final: 0.7917 (p) REVERT: G 334 VAL cc_start: 0.8478 (m) cc_final: 0.8209 (p) REVERT: G 344 LYS cc_start: 0.8482 (ttpt) cc_final: 0.8126 (ttpt) REVERT: G 348 GLN cc_start: 0.6398 (pp30) cc_final: 0.6054 (pp30) REVERT: G 349 PHE cc_start: 0.8307 (m-10) cc_final: 0.7858 (m-10) REVERT: G 358 LYS cc_start: 0.7123 (tmtt) cc_final: 0.6520 (tmtt) REVERT: G 362 ASN cc_start: 0.7761 (t0) cc_final: 0.7507 (t0) REVERT: G 378 GLN cc_start: 0.8186 (mm110) cc_final: 0.7761 (mm-40) REVERT: G 379 ARG cc_start: 0.8481 (ptp90) cc_final: 0.7705 (mtm110) REVERT: G 383 MET cc_start: 0.6952 (tpt) cc_final: 0.6463 (tpt) REVERT: G 401 PHE cc_start: 0.6946 (t80) cc_final: 0.6603 (t80) REVERT: G 407 LYS cc_start: 0.8329 (mmmt) cc_final: 0.7743 (mmmt) REVERT: G 408 ARG cc_start: 0.8117 (mpt180) cc_final: 0.7549 (mpt180) REVERT: P 19 LYS cc_start: 0.8366 (mmmt) cc_final: 0.7062 (mmmt) REVERT: P 22 GLU cc_start: 0.7772 (mt-10) cc_final: 0.7456 (mt-10) REVERT: P 30 ILE cc_start: 0.6372 (mt) cc_final: 0.6097 (mm) REVERT: P 53 GLU cc_start: 0.6362 (tp30) cc_final: 0.6008 (tp30) REVERT: P 74 ASP cc_start: 0.7716 (m-30) cc_final: 0.7442 (m-30) REVERT: P 86 ARG cc_start: 0.7655 (ttm-80) cc_final: 0.7248 (mtp-110) REVERT: P 103 LYS cc_start: 0.7596 (mttt) cc_final: 0.6832 (mmmm) REVERT: P 121 ARG cc_start: 0.7316 (mtt180) cc_final: 0.6992 (mtt90) REVERT: P 123 GLU cc_start: 0.7821 (mm-30) cc_final: 0.7450 (mm-30) REVERT: P 147 MET cc_start: 0.5710 (tmm) cc_final: 0.5172 (tmm) REVERT: P 157 GLU cc_start: 0.8386 (pt0) cc_final: 0.7991 (pt0) REVERT: P 165 ASN cc_start: 0.7256 (m-40) cc_final: 0.7046 (m-40) REVERT: P 196 THR cc_start: 0.6212 (p) cc_final: 0.5375 (t) REVERT: P 228 LEU cc_start: 0.8045 (mm) cc_final: 0.7601 (tp) REVERT: P 237 THR cc_start: 0.8256 (m) cc_final: 0.7674 (t) REVERT: P 245 GLN cc_start: 0.7267 (mm-40) cc_final: 0.7008 (mm-40) REVERT: P 257 MET cc_start: 0.6609 (mmm) cc_final: 0.6107 (mmm) REVERT: P 264 HIS cc_start: 0.7429 (p-80) cc_final: 0.6664 (p-80) REVERT: P 266 PHE cc_start: 0.7746 (m-10) cc_final: 0.7458 (m-10) REVERT: P 273 LEU cc_start: 0.7518 (mt) cc_final: 0.7312 (mt) REVERT: P 276 ARG cc_start: 0.7106 (tpm170) cc_final: 0.6413 (tpm170) REVERT: P 293 MET cc_start: 0.7669 (mtp) cc_final: 0.7097 (mtp) REVERT: P 295 ASP cc_start: 0.7958 (t70) cc_final: 0.7677 (t70) REVERT: P 309 ARG cc_start: 0.4934 (mtp85) cc_final: 0.4606 (mtp85) REVERT: P 318 ARG cc_start: 0.6655 (mtp180) cc_final: 0.6149 (ttp-170) REVERT: P 335 ASN cc_start: 0.7079 (m110) cc_final: 0.6573 (m110) REVERT: P 340 TYR cc_start: 0.7140 (m-80) cc_final: 0.6672 (m-80) REVERT: P 344 TRP cc_start: 0.7437 (p-90) cc_final: 0.7163 (p-90) REVERT: P 348 ASN cc_start: 0.7439 (m-40) cc_final: 0.7152 (m-40) REVERT: P 355 ASP cc_start: 0.7661 (m-30) cc_final: 0.7341 (m-30) REVERT: P 375 GLN cc_start: 0.7548 (pp30) cc_final: 0.6784 (pp30) REVERT: P 379 LYS cc_start: 0.8198 (ptpp) cc_final: 0.7776 (ptpp) REVERT: P 383 GLU cc_start: 0.7271 (pp20) cc_final: 0.6899 (pp20) REVERT: P 386 THR cc_start: 0.8039 (m) cc_final: 0.7729 (m) REVERT: P 390 ARG cc_start: 0.7386 (ptt-90) cc_final: 0.6791 (ptt-90) REVERT: P 395 LEU cc_start: 0.7294 (mt) cc_final: 0.6945 (mm) REVERT: P 404 ASP cc_start: 0.7705 (m-30) cc_final: 0.7409 (t70) REVERT: P 423 GLN cc_start: 0.7337 (tm-30) cc_final: 0.7083 (tm-30) REVERT: Z 19 ASN cc_start: 0.6482 (m110) cc_final: 0.6013 (m110) REVERT: Z 59 GLU cc_start: 0.7114 (tp30) cc_final: 0.6603 (tp30) REVERT: Z 105 MET cc_start: 0.4952 (ptt) cc_final: 0.4549 (ptt) REVERT: Z 197 MET cc_start: 0.6422 (tpt) cc_final: 0.6006 (tpt) REVERT: Z 229 LEU cc_start: 0.5812 (mt) cc_final: 0.5604 (mt) REVERT: Z 282 MET cc_start: 0.7335 (tpt) cc_final: 0.6907 (tpt) REVERT: Z 286 LEU cc_start: 0.7286 (mm) cc_final: 0.6800 (mm) REVERT: Z 313 LYS cc_start: 0.8267 (mtmt) cc_final: 0.8010 (mtmt) REVERT: Z 320 GLN cc_start: 0.6626 (mt0) cc_final: 0.6254 (mm-40) REVERT: H 11 GLN cc_start: 0.5720 (tp-100) cc_final: 0.5179 (tm-30) REVERT: H 21 TRP cc_start: 0.7950 (m100) cc_final: 0.7283 (m100) REVERT: H 24 TYR cc_start: 0.7506 (m-80) cc_final: 0.7255 (m-80) REVERT: H 70 ARG cc_start: 0.6921 (mtt90) cc_final: 0.6362 (mtt90) REVERT: H 77 GLU cc_start: 0.6742 (pt0) cc_final: 0.6330 (pt0) REVERT: H 90 ARG cc_start: 0.6689 (mtm-85) cc_final: 0.6312 (mtm-85) REVERT: H 93 PHE cc_start: 0.6657 (m-80) cc_final: 0.6383 (m-80) REVERT: H 139 GLN cc_start: 0.7722 (mm-40) cc_final: 0.7444 (mp10) REVERT: H 155 PHE cc_start: 0.8144 (t80) cc_final: 0.7573 (t80) REVERT: H 156 THR cc_start: 0.8008 (p) cc_final: 0.7359 (p) REVERT: H 174 GLU cc_start: 0.6044 (mp0) cc_final: 0.5251 (mp0) REVERT: H 195 LEU cc_start: 0.8083 (mt) cc_final: 0.7629 (tt) REVERT: H 209 MET cc_start: 0.7557 (mpp) cc_final: 0.7325 (mpp) REVERT: H 239 GLN cc_start: 0.7508 (mm110) cc_final: 0.6929 (tp40) REVERT: H 255 ASN cc_start: 0.6609 (m110) cc_final: 0.6372 (m110) REVERT: H 265 LEU cc_start: 0.7867 (mp) cc_final: 0.7527 (mm) REVERT: H 271 ILE cc_start: 0.8136 (tp) cc_final: 0.7717 (pt) REVERT: H 289 HIS cc_start: 0.6788 (t-170) cc_final: 0.6245 (t-170) REVERT: H 290 GLU cc_start: 0.8049 (tp30) cc_final: 0.6822 (mm-30) REVERT: H 293 THR cc_start: 0.7493 (t) cc_final: 0.7219 (p) REVERT: H 312 ASP cc_start: 0.7536 (t0) cc_final: 0.7258 (t70) REVERT: H 319 MET cc_start: 0.6071 (mmm) cc_final: 0.5344 (mmm) REVERT: H 322 CYS cc_start: 0.6100 (p) cc_final: 0.5755 (p) REVERT: H 348 GLN cc_start: 0.6542 (mp10) cc_final: 0.6329 (mp-120) REVERT: H 378 GLN cc_start: 0.7465 (mp10) cc_final: 0.7252 (mp10) REVERT: H 383 MET cc_start: 0.6436 (tpt) cc_final: 0.5831 (tpt) REVERT: H 384 LEU cc_start: 0.6972 (mm) cc_final: 0.6638 (mm) REVERT: H 385 SER cc_start: 0.7556 (m) cc_final: 0.7233 (m) REVERT: H 396 ARG cc_start: 0.7812 (tmm160) cc_final: 0.7399 (ptt90) REVERT: H 404 MET cc_start: 0.7456 (mpp) cc_final: 0.7177 (mpp) REVERT: H 407 LYS cc_start: 0.7495 (mmmt) cc_final: 0.7109 (mttm) REVERT: H 423 GLU cc_start: 0.7994 (pt0) cc_final: 0.7503 (pm20) REVERT: H 440 GLU cc_start: 0.8145 (tt0) cc_final: 0.7936 (tt0) REVERT: R 15 GLN cc_start: 0.8326 (mm110) cc_final: 0.8105 (mm-40) REVERT: R 20 PHE cc_start: 0.8618 (t80) cc_final: 0.8305 (t80) REVERT: R 46 ARG cc_start: 0.8238 (mmm160) cc_final: 0.7971 (mmm-85) REVERT: R 58 LYS cc_start: 0.7785 (tttt) cc_final: 0.7449 (tttt) REVERT: R 62 ARG cc_start: 0.7236 (ptp-110) cc_final: 0.6924 (ptp-110) REVERT: R 103 LYS cc_start: 0.8165 (mmmm) cc_final: 0.7678 (mmmm) REVERT: R 108 GLU cc_start: 0.6534 (mp0) cc_final: 0.5925 (mp0) REVERT: R 129 CYS cc_start: 0.8458 (t) cc_final: 0.8113 (t) REVERT: R 147 MET cc_start: 0.6355 (tmm) cc_final: 0.6051 (tmm) REVERT: R 182 PRO cc_start: 0.7563 (Cg_exo) cc_final: 0.6958 (Cg_endo) REVERT: R 184 ASN cc_start: 0.7660 (m-40) cc_final: 0.6736 (t160) REVERT: R 192 LEU cc_start: 0.8935 (mm) cc_final: 0.8502 (mt) REVERT: R 199 THR cc_start: 0.7239 (m) cc_final: 0.6220 (p) REVERT: R 200 TYR cc_start: 0.7344 (m-80) cc_final: 0.5993 (m-80) REVERT: R 232 THR cc_start: 0.8462 (p) cc_final: 0.8141 (t) REVERT: R 233 MET cc_start: 0.8067 (mtp) cc_final: 0.7433 (mtp) REVERT: R 253 LEU cc_start: 0.8519 (mp) cc_final: 0.8094 (mp) REVERT: R 262 ARG cc_start: 0.7768 (mmm160) cc_final: 0.7565 (mmm160) REVERT: R 264 HIS cc_start: 0.7939 (p-80) cc_final: 0.7629 (p-80) REVERT: R 266 PHE cc_start: 0.7492 (m-80) cc_final: 0.6684 (m-80) REVERT: R 268 PRO cc_start: 0.8248 (Cg_endo) cc_final: 0.7529 (Cg_exo) REVERT: R 270 PHE cc_start: 0.7200 (t80) cc_final: 0.6963 (t80) REVERT: R 292 GLN cc_start: 0.8377 (tt0) cc_final: 0.7732 (tm-30) REVERT: R 293 MET cc_start: 0.7930 (mtp) cc_final: 0.7667 (mtp) REVERT: R 295 ASP cc_start: 0.7914 (t70) cc_final: 0.7431 (t70) REVERT: R 300 MET cc_start: 0.7097 (mtt) cc_final: 0.6596 (mtm) REVERT: R 309 ARG cc_start: 0.6699 (ptp-110) cc_final: 0.5911 (ptm160) REVERT: R 321 MET cc_start: 0.7714 (ppp) cc_final: 0.6958 (ppp) REVERT: R 345 ILE cc_start: 0.8042 (mm) cc_final: 0.7808 (mp) REVERT: R 366 THR cc_start: 0.7440 (t) cc_final: 0.7234 (t) REVERT: R 372 THR cc_start: 0.7817 (p) cc_final: 0.7592 (p) REVERT: R 375 GLN cc_start: 0.7979 (pt0) cc_final: 0.7383 (tp40) REVERT: R 379 LYS cc_start: 0.8671 (ptpp) cc_final: 0.7785 (pttp) REVERT: R 384 GLN cc_start: 0.8093 (mt0) cc_final: 0.7793 (mt0) REVERT: R 385 PHE cc_start: 0.7549 (t80) cc_final: 0.7070 (t80) REVERT: R 388 MET cc_start: 0.7818 (mtp) cc_final: 0.7020 (mtp) REVERT: R 404 ASP cc_start: 0.6608 (t0) cc_final: 0.6278 (t70) REVERT: R 407 GLU cc_start: 0.7963 (mt-10) cc_final: 0.7526 (mt-10) REVERT: R 415 MET cc_start: 0.8019 (mmm) cc_final: 0.7326 (mmm) REVERT: R 424 GLN cc_start: 0.7498 (tm-30) cc_final: 0.7104 (tm-30) REVERT: a 12 MET cc_start: 0.4739 (mtt) cc_final: 0.4458 (mtt) REVERT: a 92 THR cc_start: 0.6795 (m) cc_final: 0.6549 (p) REVERT: a 95 MET cc_start: 0.5877 (mpp) cc_final: 0.5604 (mpp) REVERT: a 161 ARG cc_start: 0.7649 (ttm170) cc_final: 0.6990 (ttm170) REVERT: a 171 ARG cc_start: 0.5679 (mtt180) cc_final: 0.5407 (mtt180) REVERT: a 228 TYR cc_start: 0.6472 (m-10) cc_final: 0.5640 (m-10) outliers start: 6 outliers final: 0 residues processed: 3218 average time/residue: 0.8295 time to fit residues: 4488.8011 Evaluate side-chains 3092 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3092 time to evaluate : 8.450 ------------------------------------------------------------------------------- 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: 0.0000 chunk 908 optimal weight: 20.0000 chunk 199 optimal weight: 8.9990 chunk 592 optimal weight: 6.9990 chunk 249 optimal weight: 8.9990 chunk 1010 optimal weight: 0.9980 chunk 838 optimal weight: 1.9990 chunk 467 optimal weight: 10.0000 chunk 83 optimal weight: 10.0000 chunk 334 optimal weight: 0.0070 chunk 530 optimal weight: 2.9990 overall best weight: 1.2006 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** Y 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 160 ASN Y 287 GLN A 11 GLN ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 416 ASN S 63 ASN B 315 HIS K 292 GLN ** K 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 156 HIS C 315 HIS U 263 ASN D 28 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 6 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 8 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 HIS ** M 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 414 ASN ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 362 ASN N 11 GLN W 156 HIS ** F 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 139 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 239 GLN F 262 GLN F 289 HIS F 315 HIS O 28 HIS ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 195 ASN O 256 ASN O 348 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 263 ASN G 232 ASN G 289 HIS G 315 HIS ** G 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 99 ASN P 384 GLN ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 307 GLN R 131 GLN R 190 HIS a 117 ASN Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6475 moved from start: 0.4939 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.052 85860 Z= 0.157 Angle : 0.552 8.539 116442 Z= 0.275 Chirality : 0.043 0.194 12825 Planarity : 0.003 0.061 15075 Dihedral : 9.104 157.677 12231 Min Nonbonded Distance : 2.084 Molprobity Statistics. All-atom Clashscore : 12.63 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.54 % Favored : 97.46 % Rotamer: Outliers : 0.05 % Allowed : 1.33 % Favored : 98.61 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.87 (0.08), residues: 10530 helix: -0.17 (0.08), residues: 4203 sheet: -0.43 (0.12), residues: 1764 loop : -0.89 (0.09), residues: 4563 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.028 0.002 TRP F 394 HIS 0.014 0.001 HIS F 289 PHE 0.025 0.001 PHE I 147 TYR 0.021 0.001 TYR G 278 ARG 0.009 0.000 ARG J 390 *********************** 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 3241 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 3236 time to evaluate : 7.020 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: I 22 GLU cc_start: 0.8186 (pt0) cc_final: 0.7807 (pt0) REVERT: I 70 ARG cc_start: 0.7633 (mtt-85) cc_final: 0.7315 (mtt90) REVERT: I 74 VAL cc_start: 0.7298 (m) cc_final: 0.7037 (p) REVERT: I 89 TYR cc_start: 0.6206 (m-80) cc_final: 0.5781 (m-80) REVERT: I 90 ARG cc_start: 0.6816 (mtm-85) cc_final: 0.6146 (mtm-85) REVERT: I 107 ASN cc_start: 0.6550 (m110) cc_final: 0.6018 (m110) REVERT: I 108 ASN cc_start: 0.6892 (t0) cc_final: 0.6388 (t0) REVERT: I 116 ILE cc_start: 0.7490 (mm) cc_final: 0.7241 (mm) REVERT: I 144 PHE cc_start: 0.7444 (m-80) cc_final: 0.6624 (m-80) REVERT: I 155 PHE cc_start: 0.7946 (t80) cc_final: 0.7625 (t80) REVERT: I 158 LEU cc_start: 0.8297 (tp) cc_final: 0.8069 (tp) REVERT: I 192 ASN cc_start: 0.8520 (m-40) cc_final: 0.7870 (m-40) REVERT: I 194 ILE cc_start: 0.8231 (tt) cc_final: 0.7975 (tt) REVERT: I 196 THR cc_start: 0.8591 (t) cc_final: 0.7772 (m) REVERT: I 209 MET cc_start: 0.6838 (mpp) cc_final: 0.6600 (mpp) REVERT: I 255 ASN cc_start: 0.6913 (m110) cc_final: 0.6522 (m-40) REVERT: I 265 LEU cc_start: 0.7756 (mp) cc_final: 0.7360 (mm) REVERT: I 298 THR cc_start: 0.8259 (p) cc_final: 0.7847 (t) REVERT: I 306 ASN cc_start: 0.8051 (t0) cc_final: 0.7358 (t0) REVERT: I 322 CYS cc_start: 0.6525 (p) cc_final: 0.6184 (p) REVERT: I 325 TYR cc_start: 0.8332 (m-10) cc_final: 0.8118 (m-10) REVERT: I 328 ASP cc_start: 0.6522 (p0) cc_final: 0.6083 (p0) REVERT: I 344 LYS cc_start: 0.8270 (ttpt) cc_final: 0.7955 (ttpt) REVERT: I 348 GLN cc_start: 0.7100 (pt0) cc_final: 0.6585 (tm-30) REVERT: I 358 LYS cc_start: 0.7343 (tptt) cc_final: 0.6558 (tppt) REVERT: I 361 ILE cc_start: 0.7656 (mp) cc_final: 0.7383 (mp) REVERT: I 362 ASN cc_start: 0.8104 (t0) cc_final: 0.7832 (t0) REVERT: I 376 LYS cc_start: 0.8069 (tmtt) cc_final: 0.7766 (tmtt) REVERT: I 378 GLN cc_start: 0.7864 (mm110) cc_final: 0.6956 (mm-40) REVERT: I 379 ARG cc_start: 0.8026 (ptp90) cc_final: 0.7602 (ptt-90) REVERT: I 383 MET cc_start: 0.6933 (tpt) cc_final: 0.6168 (tpt) REVERT: I 386 ASN cc_start: 0.6709 (t0) cc_final: 0.6452 (t0) REVERT: I 392 GLU cc_start: 0.7534 (pt0) cc_final: 0.7315 (pt0) REVERT: I 401 PHE cc_start: 0.7614 (t80) cc_final: 0.7114 (t80) REVERT: I 407 LYS cc_start: 0.8385 (mmmt) cc_final: 0.7696 (mmmt) REVERT: I 410 PHE cc_start: 0.8763 (m-80) cc_final: 0.8320 (m-10) REVERT: I 419 MET cc_start: 0.7305 (mmm) cc_final: 0.6730 (mmp) REVERT: I 420 GLU cc_start: 0.7892 (tm-30) cc_final: 0.7593 (tm-30) REVERT: I 423 GLU cc_start: 0.8014 (pm20) cc_final: 0.7659 (pm20) REVERT: I 424 PHE cc_start: 0.8052 (m-10) cc_final: 0.7771 (m-10) REVERT: I 440 GLU cc_start: 0.8242 (tt0) cc_final: 0.7864 (tt0) REVERT: Q 14 ASN cc_start: 0.8696 (m110) cc_final: 0.8160 (m110) REVERT: Q 73 MET cc_start: 0.8529 (mmt) cc_final: 0.7479 (mmt) REVERT: Q 103 LYS cc_start: 0.7459 (mttt) cc_final: 0.6657 (mmmm) REVERT: Q 121 ARG cc_start: 0.8118 (ttm110) cc_final: 0.7684 (ttm110) REVERT: Q 143 THR cc_start: 0.7928 (t) cc_final: 0.7270 (t) REVERT: Q 147 MET cc_start: 0.5989 (tmm) cc_final: 0.5364 (tmm) REVERT: Q 149 THR cc_start: 0.8638 (p) cc_final: 0.8382 (p) REVERT: Q 150 LEU cc_start: 0.8089 (tt) cc_final: 0.7707 (mm) REVERT: Q 160 PRO cc_start: 0.8267 (Cg_endo) cc_final: 0.7979 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6162 (mmt-90) cc_final: 0.5308 (mmt-90) REVERT: Q 190 HIS cc_start: 0.7465 (t70) cc_final: 0.7025 (t-90) REVERT: Q 227 HIS cc_start: 0.7658 (t70) cc_final: 0.7173 (m-70) REVERT: Q 233 MET cc_start: 0.8166 (mtp) cc_final: 0.7772 (mtp) REVERT: Q 240 LEU cc_start: 0.8092 (pp) cc_final: 0.7796 (pp) REVERT: Q 257 MET cc_start: 0.6810 (mmm) cc_final: 0.6317 (mmm) REVERT: Q 264 HIS cc_start: 0.7279 (p-80) cc_final: 0.6590 (p-80) REVERT: Q 276 ARG cc_start: 0.7246 (tpm170) cc_final: 0.6181 (tpm170) REVERT: Q 280 GLN cc_start: 0.7884 (mp-120) cc_final: 0.7289 (mp10) REVERT: Q 290 THR cc_start: 0.8292 (m) cc_final: 0.7819 (t) REVERT: Q 292 GLN cc_start: 0.7822 (tt0) cc_final: 0.7578 (tt0) REVERT: Q 293 MET cc_start: 0.7824 (mtp) cc_final: 0.7047 (mtp) REVERT: Q 294 PHE cc_start: 0.7838 (m-80) cc_final: 0.7633 (m-80) REVERT: Q 295 ASP cc_start: 0.8000 (t70) cc_final: 0.7763 (t70) REVERT: Q 307 HIS cc_start: 0.7676 (m90) cc_final: 0.7409 (m-70) REVERT: Q 321 MET cc_start: 0.7987 (ptp) cc_final: 0.7217 (ptp) REVERT: Q 325 GLU cc_start: 0.8162 (mt-10) cc_final: 0.7960 (mt-10) REVERT: Q 330 MET cc_start: 0.7073 (ppp) cc_final: 0.6614 (ppp) REVERT: Q 335 ASN cc_start: 0.7234 (m110) cc_final: 0.6933 (m110) REVERT: Q 337 ASN cc_start: 0.7682 (m110) cc_final: 0.6801 (m-40) REVERT: Q 340 TYR cc_start: 0.7324 (m-80) cc_final: 0.6670 (m-80) REVERT: Q 354 CYS cc_start: 0.7796 (t) cc_final: 0.7522 (t) REVERT: Q 355 ASP cc_start: 0.7959 (m-30) cc_final: 0.7738 (m-30) REVERT: Q 363 MET cc_start: 0.6906 (ppp) cc_final: 0.6617 (ppp) REVERT: Q 375 GLN cc_start: 0.7984 (pt0) cc_final: 0.7692 (pt0) REVERT: Q 379 LYS cc_start: 0.8539 (ptpt) cc_final: 0.8213 (pttt) REVERT: Q 383 GLU cc_start: 0.7496 (pp20) cc_final: 0.7181 (pp20) REVERT: Q 384 GLN cc_start: 0.8316 (mt0) cc_final: 0.8024 (mt0) REVERT: Q 385 PHE cc_start: 0.7632 (t80) cc_final: 0.7302 (t80) REVERT: Q 390 ARG cc_start: 0.7657 (ptt90) cc_final: 0.7368 (ptt90) REVERT: Q 392 LYS cc_start: 0.7929 (mtmm) cc_final: 0.7596 (mtmm) REVERT: Q 397 TRP cc_start: 0.7765 (m100) cc_final: 0.7109 (m100) REVERT: Q 401 GLU cc_start: 0.7912 (mm-30) cc_final: 0.7379 (mm-30) REVERT: Q 404 ASP cc_start: 0.7703 (t70) cc_final: 0.7495 (t70) REVERT: Q 417 ASP cc_start: 0.7254 (m-30) cc_final: 0.7038 (m-30) REVERT: Q 421 GLU cc_start: 0.7506 (tt0) cc_final: 0.6845 (tt0) REVERT: Q 424 GLN cc_start: 0.6030 (tp40) cc_final: 0.5537 (tp40) REVERT: Y 8 ASN cc_start: 0.5556 (m110) cc_final: 0.5304 (m110) REVERT: Y 59 GLU cc_start: 0.7512 (tp30) cc_final: 0.7213 (tp30) REVERT: Y 92 THR cc_start: 0.7131 (p) cc_final: 0.6639 (p) REVERT: Y 198 ASN cc_start: 0.6326 (t0) cc_final: 0.5269 (t0) REVERT: Y 226 LYS cc_start: 0.7022 (mtmt) cc_final: 0.6467 (mtmt) REVERT: Y 256 LYS cc_start: 0.7742 (mmmt) cc_final: 0.6874 (mmmt) REVERT: Y 282 MET cc_start: 0.7876 (tpt) cc_final: 0.7408 (tpt) REVERT: Y 287 GLN cc_start: 0.7655 (OUTLIER) cc_final: 0.7333 (pp30) REVERT: Y 311 GLU cc_start: 0.7228 (pp20) cc_final: 0.6892 (pp20) REVERT: Y 313 LYS cc_start: 0.8615 (mtmt) cc_final: 0.8308 (mtmt) REVERT: Y 316 LEU cc_start: 0.7464 (mt) cc_final: 0.7167 (mt) REVERT: Y 320 GLN cc_start: 0.7269 (mt0) cc_final: 0.6978 (mm-40) REVERT: A 22 GLU cc_start: 0.7800 (pt0) cc_final: 0.7429 (pt0) REVERT: A 31 GLN cc_start: 0.7287 (tm-30) cc_final: 0.6958 (tm-30) REVERT: A 36 MET cc_start: 0.8073 (ttp) cc_final: 0.7717 (ttm) REVERT: A 70 ARG cc_start: 0.8220 (mtp85) cc_final: 0.7322 (mtt90) REVERT: A 77 GLU cc_start: 0.6748 (pt0) cc_final: 0.6454 (pt0) REVERT: A 91 GLN cc_start: 0.7404 (mp10) cc_final: 0.6993 (mp10) REVERT: A 93 PHE cc_start: 0.7007 (m-80) cc_final: 0.6471 (m-80) REVERT: A 96 GLU cc_start: 0.7781 (tt0) cc_final: 0.7147 (tt0) REVERT: A 107 ASN cc_start: 0.7179 (m-40) cc_final: 0.6861 (m-40) REVERT: A 116 ILE cc_start: 0.7525 (mm) cc_final: 0.7319 (mm) REVERT: A 127 ARG cc_start: 0.6991 (mmm-85) cc_final: 0.6537 (mmm160) REVERT: A 139 GLN cc_start: 0.7583 (mp10) cc_final: 0.7335 (mp10) REVERT: A 142 LEU cc_start: 0.7653 (pt) cc_final: 0.7055 (pt) REVERT: A 144 PHE cc_start: 0.7150 (m-80) cc_final: 0.6929 (m-80) REVERT: A 155 PHE cc_start: 0.8065 (t80) cc_final: 0.7437 (t80) REVERT: A 158 LEU cc_start: 0.7990 (tp) cc_final: 0.7740 (tp) REVERT: A 172 LYS cc_start: 0.7581 (mtmm) cc_final: 0.7378 (mtmm) REVERT: A 174 GLU cc_start: 0.6698 (mp0) cc_final: 0.6004 (mp0) REVERT: A 233 LEU cc_start: 0.8595 (mp) cc_final: 0.8141 (tt) REVERT: A 259 THR cc_start: 0.8020 (p) cc_final: 0.7488 (p) REVERT: A 290 GLU cc_start: 0.7562 (tp30) cc_final: 0.7197 (tp30) REVERT: A 319 MET cc_start: 0.6174 (mmm) cc_final: 0.5705 (mmm) REVERT: A 322 CYS cc_start: 0.6138 (p) cc_final: 0.5917 (p) REVERT: A 358 LYS cc_start: 0.7400 (tmtt) cc_final: 0.6699 (mmtt) REVERT: A 385 SER cc_start: 0.7873 (m) cc_final: 0.7564 (p) REVERT: A 390 ILE cc_start: 0.7678 (tp) cc_final: 0.7336 (tp) REVERT: A 401 PHE cc_start: 0.8085 (t80) cc_final: 0.7668 (t80) REVERT: A 407 LYS cc_start: 0.7366 (mtpt) cc_final: 0.6871 (mtpt) REVERT: A 410 PHE cc_start: 0.8211 (m-80) cc_final: 0.8001 (m-10) REVERT: A 419 MET cc_start: 0.4454 (mmp) cc_final: 0.4207 (mmp) REVERT: A 436 LYS cc_start: 0.7572 (tmmt) cc_final: 0.6882 (tmmt) REVERT: A 439 GLU cc_start: 0.8058 (pt0) cc_final: 0.7639 (pt0) REVERT: A 440 GLU cc_start: 0.8306 (tt0) cc_final: 0.7854 (tt0) REVERT: J 22 GLU cc_start: 0.8309 (mt-10) cc_final: 0.7389 (mt-10) REVERT: J 24 ILE cc_start: 0.8664 (pt) cc_final: 0.8341 (pt) REVERT: J 26 ASP cc_start: 0.7223 (m-30) cc_final: 0.6831 (m-30) REVERT: J 58 LYS cc_start: 0.7443 (tttt) cc_final: 0.7122 (tttt) REVERT: J 73 MET cc_start: 0.8472 (mmt) cc_final: 0.7646 (mmt) REVERT: J 106 TYR cc_start: 0.7705 (m-80) cc_final: 0.7146 (m-10) REVERT: J 123 GLU cc_start: 0.8194 (mm-30) cc_final: 0.7655 (mm-30) REVERT: J 147 MET cc_start: 0.6144 (tmm) cc_final: 0.5709 (tmm) REVERT: J 157 GLU cc_start: 0.7800 (pt0) cc_final: 0.7410 (pt0) REVERT: J 191 GLN cc_start: 0.8160 (mp10) cc_final: 0.7718 (mp-120) REVERT: J 198 GLU cc_start: 0.6743 (tp30) cc_final: 0.6351 (tp30) REVERT: J 208 TYR cc_start: 0.7673 (m-80) cc_final: 0.7195 (m-80) REVERT: J 237 THR cc_start: 0.8729 (t) cc_final: 0.8328 (p) REVERT: J 257 MET cc_start: 0.6729 (mmm) cc_final: 0.6253 (mmm) REVERT: J 265 PHE cc_start: 0.8439 (m-80) cc_final: 0.7754 (m-10) REVERT: J 267 MET cc_start: 0.7327 (mtt) cc_final: 0.7085 (mtt) REVERT: J 270 PHE cc_start: 0.7024 (t80) cc_final: 0.6555 (t80) REVERT: J 273 LEU cc_start: 0.8215 (mt) cc_final: 0.7905 (mm) REVERT: J 292 GLN cc_start: 0.7500 (tt0) cc_final: 0.6763 (tm-30) REVERT: J 300 MET cc_start: 0.7886 (mtm) cc_final: 0.6777 (mpp) REVERT: J 326 VAL cc_start: 0.8704 (t) cc_final: 0.8203 (t) REVERT: J 330 MET cc_start: 0.7142 (ppp) cc_final: 0.6643 (ppp) REVERT: J 337 ASN cc_start: 0.6424 (t0) cc_final: 0.5838 (t0) REVERT: J 343 GLU cc_start: 0.6846 (pm20) cc_final: 0.6581 (pm20) REVERT: J 367 PHE cc_start: 0.7549 (t80) cc_final: 0.7168 (t80) REVERT: J 379 LYS cc_start: 0.8697 (ptpt) cc_final: 0.8152 (pttp) REVERT: J 384 GLN cc_start: 0.8537 (mt0) cc_final: 0.7810 (mm-40) REVERT: J 388 MET cc_start: 0.7995 (mtp) cc_final: 0.7613 (mtp) REVERT: J 389 PHE cc_start: 0.8266 (t80) cc_final: 0.8006 (t80) REVERT: J 395 LEU cc_start: 0.8554 (mt) cc_final: 0.8174 (mt) REVERT: J 406 MET cc_start: 0.7806 (mmm) cc_final: 0.7402 (mmm) REVERT: J 407 GLU cc_start: 0.8159 (mt-10) cc_final: 0.7221 (mt-10) REVERT: J 418 LEU cc_start: 0.8529 (tp) cc_final: 0.8240 (tp) REVERT: S 49 ASP cc_start: 0.5221 (m-30) cc_final: 0.4841 (m-30) REVERT: S 56 THR cc_start: 0.5959 (m) cc_final: 0.5506 (p) REVERT: S 62 TYR cc_start: 0.3606 (t80) cc_final: 0.3312 (t80) REVERT: S 108 ILE cc_start: 0.6326 (pt) cc_final: 0.6076 (pt) REVERT: S 116 PHE cc_start: 0.5968 (m-80) cc_final: 0.5658 (m-10) REVERT: S 211 ASN cc_start: 0.5909 (t0) cc_final: 0.5443 (t0) REVERT: S 256 LYS cc_start: 0.8403 (mmmt) cc_final: 0.8192 (mmmt) REVERT: B 15 GLN cc_start: 0.7626 (tt0) cc_final: 0.7307 (mm-40) REVERT: B 76 LEU cc_start: 0.6205 (mt) cc_final: 0.5440 (tp) REVERT: B 96 GLU cc_start: 0.8001 (tt0) cc_final: 0.7574 (tt0) REVERT: B 108 ASN cc_start: 0.6746 (t0) cc_final: 0.6415 (t0) REVERT: B 114 TYR cc_start: 0.8092 (m-80) cc_final: 0.7174 (m-80) REVERT: B 125 LEU cc_start: 0.8449 (mt) cc_final: 0.8248 (mt) REVERT: B 127 ARG cc_start: 0.8363 (mmm160) cc_final: 0.8078 (mmm160) REVERT: B 134 GLN cc_start: 0.7947 (tm-30) cc_final: 0.7673 (tm-30) REVERT: B 142 LEU cc_start: 0.7487 (pt) cc_final: 0.7197 (pp) REVERT: B 163 LEU cc_start: 0.8726 (mm) cc_final: 0.8274 (tp) REVERT: B 169 LYS cc_start: 0.7661 (ptmm) cc_final: 0.7311 (ptmm) REVERT: B 193 SER cc_start: 0.8267 (m) cc_final: 0.7953 (p) REVERT: B 235 ARG cc_start: 0.7768 (mtt-85) cc_final: 0.6922 (mmm160) REVERT: B 282 ILE cc_start: 0.7167 (tp) cc_final: 0.6928 (tp) REVERT: B 290 GLU cc_start: 0.7687 (tp30) cc_final: 0.7483 (tp30) REVERT: B 341 ILE cc_start: 0.8929 (mm) cc_final: 0.8714 (mm) REVERT: B 344 LYS cc_start: 0.8271 (ttpt) cc_final: 0.7824 (ttpt) REVERT: B 351 ASP cc_start: 0.7418 (p0) cc_final: 0.6666 (p0) REVERT: B 379 ARG cc_start: 0.7917 (ptp90) cc_final: 0.7638 (mtm-85) REVERT: B 383 MET cc_start: 0.7494 (tpt) cc_final: 0.7021 (tpt) REVERT: B 401 PHE cc_start: 0.7634 (t80) cc_final: 0.6918 (t80) REVERT: B 407 LYS cc_start: 0.8468 (mmmt) cc_final: 0.8222 (mmmt) REVERT: B 408 ARG cc_start: 0.7485 (mpt180) cc_final: 0.7266 (mpt180) REVERT: B 410 PHE cc_start: 0.8405 (m-80) cc_final: 0.8089 (m-80) REVERT: B 417 GLU cc_start: 0.6347 (tm-30) cc_final: 0.6101 (tm-30) REVERT: B 426 GLU cc_start: 0.7141 (tp30) cc_final: 0.6369 (tp30) REVERT: B 430 ASP cc_start: 0.7871 (t0) cc_final: 0.7502 (t0) REVERT: B 440 GLU cc_start: 0.8200 (tt0) cc_final: 0.7581 (pt0) REVERT: K 3 GLU cc_start: 0.7143 (mp0) cc_final: 0.6210 (mp0) REVERT: K 15 GLN cc_start: 0.8774 (mm-40) cc_final: 0.8140 (mm-40) REVERT: K 19 LYS cc_start: 0.8134 (tptt) cc_final: 0.7508 (tptt) REVERT: K 22 GLU cc_start: 0.8380 (mt-10) cc_final: 0.7861 (mt-10) REVERT: K 24 ILE cc_start: 0.9093 (pt) cc_final: 0.8876 (pt) REVERT: K 47 ILE cc_start: 0.8409 (tt) cc_final: 0.8070 (tt) REVERT: K 53 GLU cc_start: 0.7713 (tp30) cc_final: 0.7492 (tp30) REVERT: K 58 LYS cc_start: 0.7789 (mmmm) cc_final: 0.7494 (mmmm) REVERT: K 59 TYR cc_start: 0.6907 (m-80) cc_final: 0.6455 (m-80) REVERT: K 73 MET cc_start: 0.8484 (mmt) cc_final: 0.7303 (mmt) REVERT: K 131 GLN cc_start: 0.6767 (tp-100) cc_final: 0.5904 (tp-100) REVERT: K 164 MET cc_start: 0.7767 (tpt) cc_final: 0.7494 (mmm) REVERT: K 187 LEU cc_start: 0.8217 (mt) cc_final: 0.7687 (mt) REVERT: K 194 GLU cc_start: 0.7308 (pt0) cc_final: 0.7085 (pt0) REVERT: K 213 ARG cc_start: 0.6103 (mtm180) cc_final: 0.5473 (mtm-85) REVERT: K 227 HIS cc_start: 0.7720 (t-90) cc_final: 0.7234 (t-90) REVERT: K 233 MET cc_start: 0.8160 (mtm) cc_final: 0.7860 (mtm) REVERT: K 257 MET cc_start: 0.7771 (mmm) cc_final: 0.7046 (mmm) REVERT: K 262 ARG cc_start: 0.7614 (mmm-85) cc_final: 0.7236 (mtt-85) REVERT: K 264 HIS cc_start: 0.7491 (p-80) cc_final: 0.6748 (p90) REVERT: K 280 GLN cc_start: 0.7961 (mp10) cc_final: 0.7705 (mp10) REVERT: K 289 LEU cc_start: 0.7839 (pp) cc_final: 0.7605 (pp) REVERT: K 290 THR cc_start: 0.7231 (m) cc_final: 0.6800 (m) REVERT: K 293 MET cc_start: 0.7532 (mtp) cc_final: 0.6851 (mtp) REVERT: K 298 ASN cc_start: 0.7585 (t0) cc_final: 0.7255 (t0) REVERT: K 299 MET cc_start: 0.5516 (ptt) cc_final: 0.4799 (ptt) REVERT: K 300 MET cc_start: 0.7071 (mtm) cc_final: 0.5881 (mpp) REVERT: K 321 MET cc_start: 0.7681 (pmm) cc_final: 0.6904 (pmm) REVERT: K 323 MET cc_start: 0.7440 (mmp) cc_final: 0.7150 (mmp) REVERT: K 324 LYS cc_start: 0.8070 (ttpt) cc_final: 0.7844 (ttpp) REVERT: K 325 GLU cc_start: 0.8338 (mt-10) cc_final: 0.7780 (mt-10) REVERT: K 327 ASP cc_start: 0.7346 (m-30) cc_final: 0.6427 (m-30) REVERT: K 330 MET cc_start: 0.6691 (ppp) cc_final: 0.6232 (ppp) REVERT: K 335 ASN cc_start: 0.6992 (m110) cc_final: 0.6774 (m-40) REVERT: K 375 GLN cc_start: 0.8589 (pt0) cc_final: 0.7873 (pt0) REVERT: K 379 LYS cc_start: 0.8515 (ptpt) cc_final: 0.8159 (ptpt) REVERT: K 390 ARG cc_start: 0.7974 (ptm-80) cc_final: 0.7746 (ptm-80) REVERT: K 391 ARG cc_start: 0.3031 (ptt180) cc_final: 0.1479 (ptt90) REVERT: K 401 GLU cc_start: 0.7297 (mm-30) cc_final: 0.6643 (mm-30) REVERT: K 408 PHE cc_start: 0.8064 (m-80) cc_final: 0.7578 (m-80) REVERT: K 414 ASN cc_start: 0.8498 (m-40) cc_final: 0.8065 (m-40) REVERT: K 415 MET cc_start: 0.8257 (mmm) cc_final: 0.7832 (mmm) REVERT: K 418 LEU cc_start: 0.8395 (pp) cc_final: 0.8150 (pp) REVERT: T 10 LYS cc_start: 0.8133 (mttp) cc_final: 0.7667 (mptt) REVERT: T 12 MET cc_start: 0.5683 (mtt) cc_final: 0.5332 (mtt) REVERT: T 22 GLU cc_start: 0.6306 (mt-10) cc_final: 0.6028 (mt-10) REVERT: T 44 LYS cc_start: 0.6500 (pttm) cc_final: 0.6164 (pttm) REVERT: T 105 MET cc_start: 0.5361 (ptt) cc_final: 0.4801 (ppp) REVERT: T 125 ASN cc_start: 0.7779 (p0) cc_final: 0.7089 (t0) REVERT: T 217 THR cc_start: 0.5370 (p) cc_final: 0.4879 (p) REVERT: T 221 GLN cc_start: 0.6394 (pp30) cc_final: 0.6044 (pp30) REVERT: T 250 GLU cc_start: 0.6738 (mm-30) cc_final: 0.6317 (mm-30) REVERT: T 256 LYS cc_start: 0.7325 (mmmt) cc_final: 0.7009 (mmmt) REVERT: T 287 GLN cc_start: 0.8030 (pp30) cc_final: 0.7798 (pp30) REVERT: T 313 LYS cc_start: 0.8049 (mtmt) cc_final: 0.7749 (mtmt) REVERT: C 3 GLU cc_start: 0.6661 (pt0) cc_final: 0.6234 (pt0) REVERT: C 83 GLU cc_start: 0.7126 (pm20) cc_final: 0.6769 (pm20) REVERT: C 108 ASN cc_start: 0.6683 (t0) cc_final: 0.6249 (t0) REVERT: C 114 TYR cc_start: 0.8008 (m-80) cc_final: 0.7327 (m-80) REVERT: C 119 GLU cc_start: 0.7636 (pp20) cc_final: 0.7305 (pp20) REVERT: C 161 GLU cc_start: 0.8371 (pt0) cc_final: 0.8118 (pt0) REVERT: C 169 LYS cc_start: 0.7876 (ptmm) cc_final: 0.7515 (ptmm) REVERT: C 172 LYS cc_start: 0.7553 (mtmm) cc_final: 0.7166 (mtmm) REVERT: C 192 ASN cc_start: 0.8529 (m-40) cc_final: 0.7749 (m-40) REVERT: C 222 ASN cc_start: 0.8059 (m110) cc_final: 0.7807 (m-40) REVERT: C 227 ARG cc_start: 0.7271 (mtm-85) cc_final: 0.6802 (mmm-85) REVERT: C 233 LEU cc_start: 0.8532 (mp) cc_final: 0.7904 (tp) REVERT: C 235 ARG cc_start: 0.7840 (mtt-85) cc_final: 0.7282 (mmm-85) REVERT: C 289 HIS cc_start: 0.7431 (m90) cc_final: 0.7128 (m90) REVERT: C 306 ASN cc_start: 0.8315 (t0) cc_final: 0.8057 (t0) REVERT: C 311 CYS cc_start: 0.8083 (m) cc_final: 0.7170 (p) REVERT: C 319 MET cc_start: 0.6887 (mmm) cc_final: 0.6215 (mmm) REVERT: C 348 GLN cc_start: 0.7326 (tm-30) cc_final: 0.6499 (tm-30) REVERT: C 349 PHE cc_start: 0.7059 (m-80) cc_final: 0.6815 (m-80) REVERT: C 351 ASP cc_start: 0.8002 (p0) cc_final: 0.7374 (p0) REVERT: C 355 THR cc_start: 0.8286 (p) cc_final: 0.7696 (t) REVERT: C 358 LYS cc_start: 0.7496 (tptt) cc_final: 0.6673 (tptt) REVERT: C 361 ILE cc_start: 0.7327 (mp) cc_final: 0.7048 (mm) REVERT: C 362 ASN cc_start: 0.7950 (t0) cc_final: 0.7425 (t0) REVERT: C 363 TYR cc_start: 0.7551 (m-10) cc_final: 0.7311 (m-10) REVERT: C 376 LYS cc_start: 0.7655 (tmtt) cc_final: 0.7383 (tmtt) REVERT: C 378 GLN cc_start: 0.8210 (mm-40) cc_final: 0.7323 (mm-40) REVERT: C 379 ARG cc_start: 0.7787 (ptp90) cc_final: 0.7424 (mtm-85) REVERT: C 383 MET cc_start: 0.7139 (tpt) cc_final: 0.6748 (tpt) REVERT: C 400 LYS cc_start: 0.7024 (ptpt) cc_final: 0.6382 (pttm) REVERT: C 401 PHE cc_start: 0.7585 (t80) cc_final: 0.6992 (t80) REVERT: C 402 ASP cc_start: 0.7123 (m-30) cc_final: 0.6876 (m-30) REVERT: C 404 MET cc_start: 0.7280 (mtm) cc_final: 0.6736 (mtm) REVERT: C 407 LYS cc_start: 0.8156 (mmmt) cc_final: 0.7861 (mmmm) REVERT: C 410 PHE cc_start: 0.8457 (m-80) cc_final: 0.7587 (m-80) REVERT: C 426 GLU cc_start: 0.7404 (tp30) cc_final: 0.6645 (tp30) REVERT: C 430 ASP cc_start: 0.7739 (t0) cc_final: 0.7359 (t0) REVERT: C 440 GLU cc_start: 0.8197 (tt0) cc_final: 0.7616 (pt0) REVERT: L 2 ARG cc_start: 0.8225 (mtm110) cc_final: 0.7215 (mmm160) REVERT: L 4 ILE cc_start: 0.8329 (mp) cc_final: 0.8124 (mp) REVERT: L 22 GLU cc_start: 0.8509 (mt-10) cc_final: 0.8148 (mt-10) REVERT: L 24 ILE cc_start: 0.9031 (pt) cc_final: 0.8705 (pt) REVERT: L 45 GLU cc_start: 0.7914 (pp20) cc_final: 0.7595 (pp20) REVERT: L 53 GLU cc_start: 0.7645 (tp30) cc_final: 0.6585 (tp30) REVERT: L 59 TYR cc_start: 0.6391 (m-80) cc_final: 0.5725 (m-80) REVERT: L 62 ARG cc_start: 0.7403 (ttm-80) cc_final: 0.6320 (ttm-80) REVERT: L 66 VAL cc_start: 0.7928 (m) cc_final: 0.7512 (p) REVERT: L 73 MET cc_start: 0.8382 (mmt) cc_final: 0.7574 (mmt) REVERT: L 74 ASP cc_start: 0.7571 (m-30) cc_final: 0.7338 (m-30) REVERT: L 122 LYS cc_start: 0.7940 (pptt) cc_final: 0.7694 (pptt) REVERT: L 123 GLU cc_start: 0.7858 (mm-30) cc_final: 0.7531 (tp30) REVERT: L 147 MET cc_start: 0.6467 (tmm) cc_final: 0.5974 (tmm) REVERT: L 152 ILE cc_start: 0.7980 (mp) cc_final: 0.7773 (mp) REVERT: L 164 MET cc_start: 0.7894 (tpp) cc_final: 0.7549 (mmm) REVERT: L 184 ASN cc_start: 0.7824 (m-40) cc_final: 0.7488 (m-40) REVERT: L 187 LEU cc_start: 0.8775 (mt) cc_final: 0.8263 (mt) REVERT: L 194 GLU cc_start: 0.7213 (pt0) cc_final: 0.6965 (pt0) REVERT: L 197 ASP cc_start: 0.8113 (m-30) cc_final: 0.7336 (p0) REVERT: L 224 ASP cc_start: 0.7092 (m-30) cc_final: 0.6872 (m-30) REVERT: L 240 LEU cc_start: 0.8390 (pt) cc_final: 0.7668 (mp) REVERT: L 241 ARG cc_start: 0.7828 (mtm110) cc_final: 0.6972 (ttp80) REVERT: L 245 GLN cc_start: 0.7200 (mm-40) cc_final: 0.6508 (mm-40) REVERT: L 257 MET cc_start: 0.7726 (mmm) cc_final: 0.7391 (tpp) REVERT: L 262 ARG cc_start: 0.6977 (mtm-85) cc_final: 0.6624 (mtm-85) REVERT: L 265 PHE cc_start: 0.8389 (m-80) cc_final: 0.7318 (m-80) REVERT: L 267 MET cc_start: 0.7684 (mtt) cc_final: 0.7350 (mtt) REVERT: L 276 ARG cc_start: 0.6877 (tpm170) cc_final: 0.6309 (tpm170) REVERT: L 279 GLN cc_start: 0.7158 (tp40) cc_final: 0.6786 (tp40) REVERT: L 293 MET cc_start: 0.7441 (mtp) cc_final: 0.6977 (mtp) REVERT: L 299 MET cc_start: 0.7459 (ppp) cc_final: 0.7085 (ppp) REVERT: L 300 MET cc_start: 0.7356 (mtm) cc_final: 0.6729 (mtm) REVERT: L 321 MET cc_start: 0.7772 (ppp) cc_final: 0.6930 (ppp) REVERT: L 323 MET cc_start: 0.7878 (mmp) cc_final: 0.7617 (mmp) REVERT: L 324 LYS cc_start: 0.8152 (ttpt) cc_final: 0.7768 (ttpp) REVERT: L 325 GLU cc_start: 0.8063 (mt-10) cc_final: 0.7586 (mt-10) REVERT: L 327 ASP cc_start: 0.7780 (m-30) cc_final: 0.6829 (m-30) REVERT: L 335 ASN cc_start: 0.7532 (m110) cc_final: 0.7242 (m110) REVERT: L 347 ASN cc_start: 0.7801 (t0) cc_final: 0.7180 (t0) REVERT: L 350 LYS cc_start: 0.8253 (tptp) cc_final: 0.7892 (tptp) REVERT: L 353 VAL cc_start: 0.8178 (p) cc_final: 0.7837 (p) REVERT: L 355 ASP cc_start: 0.7722 (m-30) cc_final: 0.6921 (m-30) REVERT: L 362 LYS cc_start: 0.7828 (mmmt) cc_final: 0.7501 (mmmm) REVERT: L 375 GLN cc_start: 0.8549 (pt0) cc_final: 0.7833 (pt0) REVERT: L 380 ARG cc_start: 0.7683 (tmt170) cc_final: 0.6512 (tmt170) REVERT: L 384 GLN cc_start: 0.8459 (mt0) cc_final: 0.7851 (mt0) REVERT: L 408 PHE cc_start: 0.8117 (m-80) cc_final: 0.7364 (m-80) REVERT: L 414 ASN cc_start: 0.8149 (m-40) cc_final: 0.7631 (m-40) REVERT: L 416 ASN cc_start: 0.7611 (m110) cc_final: 0.7341 (m110) REVERT: L 421 GLU cc_start: 0.8103 (tt0) cc_final: 0.7354 (tt0) REVERT: L 422 TYR cc_start: 0.8109 (m-80) cc_final: 0.7538 (m-80) REVERT: U 32 LYS cc_start: 0.6793 (tttt) cc_final: 0.6493 (tttt) REVERT: U 44 LYS cc_start: 0.6504 (pttm) cc_final: 0.5936 (pttm) REVERT: U 46 TYR cc_start: 0.6537 (m-80) cc_final: 0.5826 (m-80) REVERT: U 59 GLU cc_start: 0.4842 (tp30) cc_final: 0.4543 (tp30) REVERT: U 105 MET cc_start: 0.5882 (ptt) cc_final: 0.5385 (ptt) REVERT: U 116 PHE cc_start: 0.5993 (m-10) cc_final: 0.5728 (m-10) REVERT: U 250 GLU cc_start: 0.6969 (mm-30) cc_final: 0.6620 (mm-30) REVERT: U 256 LYS cc_start: 0.7564 (mmmt) cc_final: 0.7121 (mmmm) REVERT: U 323 LYS cc_start: 0.7196 (tptm) cc_final: 0.6767 (tptm) REVERT: D 11 GLN cc_start: 0.5197 (tm-30) cc_final: 0.4958 (tm-30) REVERT: D 21 TRP cc_start: 0.8424 (m100) cc_final: 0.8168 (m100) REVERT: D 22 GLU cc_start: 0.7882 (pt0) cc_final: 0.7303 (pt0) REVERT: D 35 GLN cc_start: 0.7275 (pm20) cc_final: 0.7004 (pm20) REVERT: D 56 ASN cc_start: 0.7384 (t0) cc_final: 0.6304 (t0) REVERT: D 70 ARG cc_start: 0.7750 (mtt-85) cc_final: 0.7339 (mtt90) REVERT: D 93 PHE cc_start: 0.6805 (m-80) cc_final: 0.6545 (m-80) REVERT: D 102 LYS cc_start: 0.7526 (tptp) cc_final: 0.6461 (tptp) REVERT: D 108 ASN cc_start: 0.7080 (t0) cc_final: 0.6482 (t0) REVERT: D 118 LYS cc_start: 0.8604 (mmtt) cc_final: 0.7949 (mmtt) REVERT: D 119 GLU cc_start: 0.7828 (pp20) cc_final: 0.7596 (pp20) REVERT: D 122 ASP cc_start: 0.7486 (p0) cc_final: 0.7262 (p0) REVERT: D 129 ARG cc_start: 0.6397 (tpt90) cc_final: 0.6161 (tpt170) REVERT: D 142 LEU cc_start: 0.7323 (pp) cc_final: 0.6805 (pp) REVERT: D 158 LEU cc_start: 0.8319 (tp) cc_final: 0.7988 (tp) REVERT: D 159 LEU cc_start: 0.8461 (tt) cc_final: 0.8241 (tp) REVERT: D 172 LYS cc_start: 0.6997 (mtmm) cc_final: 0.6350 (mtmm) REVERT: D 174 GLU cc_start: 0.6616 (mp0) cc_final: 0.5652 (mp0) REVERT: D 182 GLN cc_start: 0.7261 (pm20) cc_final: 0.6533 (pm20) REVERT: D 196 THR cc_start: 0.8335 (t) cc_final: 0.7351 (m) REVERT: D 198 HIS cc_start: 0.8598 (t-90) cc_final: 0.8326 (t-90) REVERT: D 202 GLU cc_start: 0.6820 (pm20) cc_final: 0.6423 (pm20) REVERT: D 265 LEU cc_start: 0.7612 (mp) cc_final: 0.7357 (mp) REVERT: D 270 ARG cc_start: 0.6786 (mmm-85) cc_final: 0.6498 (tpp80) REVERT: D 272 HIS cc_start: 0.6955 (p90) cc_final: 0.6177 (p90) REVERT: D 286 LYS cc_start: 0.8154 (mtpp) cc_final: 0.7892 (ttmt) REVERT: D 293 THR cc_start: 0.8041 (t) cc_final: 0.7638 (t) REVERT: D 296 GLU cc_start: 0.8102 (pm20) cc_final: 0.6359 (pm20) REVERT: D 308 MET cc_start: 0.7760 (mmm) cc_final: 0.7342 (mtp) REVERT: D 338 ILE cc_start: 0.8752 (pt) cc_final: 0.8270 (tp) REVERT: D 348 GLN cc_start: 0.7465 (pp30) cc_final: 0.6309 (pm20) REVERT: D 358 LYS cc_start: 0.6790 (tmtt) cc_final: 0.6119 (tppt) REVERT: D 384 LEU cc_start: 0.8029 (mm) cc_final: 0.7678 (mm) REVERT: D 390 ILE cc_start: 0.8242 (mm) cc_final: 0.7992 (mm) REVERT: D 396 ARG cc_start: 0.8726 (ptt90) cc_final: 0.8441 (ptt90) REVERT: D 401 PHE cc_start: 0.7513 (t80) cc_final: 0.7088 (t80) REVERT: D 407 LYS cc_start: 0.8670 (mmmt) cc_final: 0.8449 (mmmt) REVERT: D 408 ARG cc_start: 0.7802 (mpt180) cc_final: 0.7418 (mpt180) REVERT: D 410 PHE cc_start: 0.8815 (m-80) cc_final: 0.8190 (m-80) REVERT: D 419 MET cc_start: 0.6469 (mmp) cc_final: 0.6105 (mmm) REVERT: D 430 ASP cc_start: 0.7323 (t0) cc_final: 0.6941 (t0) REVERT: D 440 GLU cc_start: 0.8136 (tt0) cc_final: 0.7792 (tt0) REVERT: M 3 GLU cc_start: 0.6668 (mp0) cc_final: 0.6307 (mp0) REVERT: M 14 ASN cc_start: 0.8460 (m110) cc_final: 0.7957 (m110) REVERT: M 20 PHE cc_start: 0.8401 (t80) cc_final: 0.8079 (t80) REVERT: M 22 GLU cc_start: 0.8238 (mt-10) cc_final: 0.7582 (mt-10) REVERT: M 26 ASP cc_start: 0.7671 (m-30) cc_final: 0.7368 (m-30) REVERT: M 47 ILE cc_start: 0.8178 (tt) cc_final: 0.7910 (tt) REVERT: M 59 TYR cc_start: 0.8032 (m-80) cc_final: 0.7720 (m-80) REVERT: M 62 ARG cc_start: 0.8175 (ptp-110) cc_final: 0.7594 (ptp-110) REVERT: M 73 MET cc_start: 0.8255 (mmt) cc_final: 0.7255 (mmt) REVERT: M 123 GLU cc_start: 0.7931 (mm-30) cc_final: 0.7575 (mm-30) REVERT: M 133 PHE cc_start: 0.6784 (m-80) cc_final: 0.5587 (m-80) REVERT: M 147 MET cc_start: 0.5921 (tmm) cc_final: 0.5278 (tmm) REVERT: M 157 GLU cc_start: 0.8460 (pt0) cc_final: 0.8227 (pt0) REVERT: M 179 VAL cc_start: 0.8443 (t) cc_final: 0.8180 (t) REVERT: M 181 GLU cc_start: 0.8276 (pt0) cc_final: 0.7496 (pt0) REVERT: M 204 ASN cc_start: 0.8480 (m-40) cc_final: 0.8220 (m-40) REVERT: M 224 ASP cc_start: 0.7476 (m-30) cc_final: 0.7132 (m-30) REVERT: M 233 MET cc_start: 0.7715 (mtp) cc_final: 0.7488 (mtp) REVERT: M 240 LEU cc_start: 0.8014 (pt) cc_final: 0.7776 (pp) REVERT: M 267 MET cc_start: 0.7955 (mtt) cc_final: 0.7297 (mtt) REVERT: M 270 PHE cc_start: 0.7070 (t80) cc_final: 0.6741 (t80) REVERT: M 286 VAL cc_start: 0.8886 (m) cc_final: 0.8647 (p) REVERT: M 290 THR cc_start: 0.8242 (m) cc_final: 0.7582 (p) REVERT: M 292 GLN cc_start: 0.8057 (tt0) cc_final: 0.7799 (tt0) REVERT: M 293 MET cc_start: 0.7446 (mtm) cc_final: 0.7214 (mtm) REVERT: M 295 ASP cc_start: 0.8167 (t70) cc_final: 0.7840 (t70) REVERT: M 300 MET cc_start: 0.7380 (mtt) cc_final: 0.6720 (mmm) REVERT: M 323 MET cc_start: 0.7757 (mmp) cc_final: 0.7498 (mmp) REVERT: M 327 ASP cc_start: 0.7621 (m-30) cc_final: 0.7037 (m-30) REVERT: M 330 MET cc_start: 0.7439 (ppp) cc_final: 0.7112 (ppp) REVERT: M 337 ASN cc_start: 0.7492 (m-40) cc_final: 0.6769 (m-40) REVERT: M 340 TYR cc_start: 0.7246 (m-80) cc_final: 0.6423 (m-80) REVERT: M 344 TRP cc_start: 0.7268 (p-90) cc_final: 0.6917 (p-90) REVERT: M 353 VAL cc_start: 0.8218 (m) cc_final: 0.7783 (p) REVERT: M 383 GLU cc_start: 0.7647 (pp20) cc_final: 0.7223 (pp20) REVERT: M 384 GLN cc_start: 0.8271 (mt0) cc_final: 0.7858 (mt0) REVERT: M 389 PHE cc_start: 0.8425 (t80) cc_final: 0.8188 (t80) REVERT: M 397 TRP cc_start: 0.7964 (m100) cc_final: 0.7632 (m100) REVERT: M 404 ASP cc_start: 0.8099 (t0) cc_final: 0.7891 (t70) REVERT: M 415 MET cc_start: 0.8041 (mmm) cc_final: 0.7376 (mmm) REVERT: M 421 GLU cc_start: 0.7487 (tt0) cc_final: 0.6908 (tt0) REVERT: V 12 MET cc_start: 0.6826 (mpp) cc_final: 0.6366 (mpp) REVERT: V 19 ASN cc_start: 0.6679 (m-40) cc_final: 0.6334 (m-40) REVERT: V 32 LYS cc_start: 0.7638 (tttt) cc_final: 0.7347 (tptt) REVERT: V 33 PHE cc_start: 0.6524 (m-80) cc_final: 0.5994 (m-80) REVERT: V 87 THR cc_start: 0.6027 (p) cc_final: 0.5672 (p) REVERT: V 105 MET cc_start: 0.5449 (ptt) cc_final: 0.5246 (ptm) REVERT: V 197 MET cc_start: 0.7121 (tpt) cc_final: 0.6230 (tpt) REVERT: V 198 ASN cc_start: 0.6039 (t0) cc_final: 0.5713 (t0) REVERT: V 226 LYS cc_start: 0.6950 (mtmt) cc_final: 0.6726 (mtmt) REVERT: V 256 LYS cc_start: 0.8111 (mmmt) cc_final: 0.7364 (mmmt) REVERT: V 274 TYR cc_start: 0.5270 (t80) cc_final: 0.4158 (t80) REVERT: V 313 LYS cc_start: 0.8230 (mtmt) cc_final: 0.7937 (mtmt) REVERT: E 22 GLU cc_start: 0.7608 (pt0) cc_final: 0.7277 (pt0) REVERT: E 36 MET cc_start: 0.7987 (ttm) cc_final: 0.7762 (ttm) REVERT: E 57 THR cc_start: 0.8604 (t) cc_final: 0.8100 (m) REVERT: E 70 ARG cc_start: 0.6893 (mtt90) cc_final: 0.6562 (mtt90) REVERT: E 76 LEU cc_start: 0.7434 (mt) cc_final: 0.7189 (mt) REVERT: E 90 ARG cc_start: 0.6871 (mtm-85) cc_final: 0.6336 (mtm-85) REVERT: E 107 ASN cc_start: 0.6787 (m110) cc_final: 0.6210 (m-40) REVERT: E 127 ARG cc_start: 0.7079 (mmm-85) cc_final: 0.6849 (mmm160) REVERT: E 129 ARG cc_start: 0.8005 (ttm-80) cc_final: 0.7500 (ttp-110) REVERT: E 141 PHE cc_start: 0.7371 (m-80) cc_final: 0.6902 (m-10) REVERT: E 144 PHE cc_start: 0.7608 (m-80) cc_final: 0.7319 (m-80) REVERT: E 172 LYS cc_start: 0.8015 (mtmm) cc_final: 0.7581 (mtmm) REVERT: E 220 ARG cc_start: 0.7149 (tpp80) cc_final: 0.6740 (tpp80) REVERT: E 222 ASN cc_start: 0.8368 (m-40) cc_final: 0.8128 (m-40) REVERT: E 225 ILE cc_start: 0.6574 (mm) cc_final: 0.6032 (tp) REVERT: E 235 ARG cc_start: 0.8612 (tpp80) cc_final: 0.8014 (mmm-85) REVERT: E 249 ARG cc_start: 0.8046 (mtt90) cc_final: 0.7279 (ptp90) REVERT: E 254 LEU cc_start: 0.8012 (tt) cc_final: 0.7605 (tt) REVERT: E 255 ASN cc_start: 0.6582 (m110) cc_final: 0.6298 (m-40) REVERT: E 286 LYS cc_start: 0.8449 (mttp) cc_final: 0.8183 (mtpt) REVERT: E 288 TYR cc_start: 0.7553 (m-80) cc_final: 0.7096 (m-80) REVERT: E 306 ASN cc_start: 0.8023 (t0) cc_final: 0.6643 (t0) REVERT: E 319 MET cc_start: 0.6485 (mmm) cc_final: 0.5853 (mmm) REVERT: E 342 LYS cc_start: 0.8861 (mtpp) cc_final: 0.8520 (mtmm) REVERT: E 358 LYS cc_start: 0.7310 (tptp) cc_final: 0.6933 (tppt) REVERT: E 378 GLN cc_start: 0.8001 (mm110) cc_final: 0.7715 (mm110) REVERT: E 382 CYS cc_start: 0.7491 (t) cc_final: 0.7174 (t) REVERT: E 383 MET cc_start: 0.6646 (tpt) cc_final: 0.6143 (tpt) REVERT: E 384 LEU cc_start: 0.7196 (mm) cc_final: 0.6961 (mm) REVERT: E 401 PHE cc_start: 0.8384 (t80) cc_final: 0.7856 (t80) REVERT: E 439 GLU cc_start: 0.7962 (pt0) cc_final: 0.7715 (pt0) REVERT: N 20 PHE cc_start: 0.8415 (t80) cc_final: 0.8197 (t80) REVERT: N 58 LYS cc_start: 0.7369 (tttt) cc_final: 0.7148 (tttt) REVERT: N 73 MET cc_start: 0.8412 (mmt) cc_final: 0.8132 (mmt) REVERT: N 83 GLN cc_start: 0.7603 (mm-40) cc_final: 0.6836 (mm-40) REVERT: N 106 TYR cc_start: 0.8090 (m-80) cc_final: 0.7782 (m-10) REVERT: N 131 GLN cc_start: 0.6448 (tp40) cc_final: 0.6119 (tp40) REVERT: N 158 GLU cc_start: 0.8175 (tt0) cc_final: 0.7741 (tt0) REVERT: N 159 TYR cc_start: 0.8537 (m-80) cc_final: 0.7714 (m-10) REVERT: N 164 MET cc_start: 0.6904 (mmp) cc_final: 0.5866 (mmp) REVERT: N 181 GLU cc_start: 0.7906 (pt0) cc_final: 0.7653 (pt0) REVERT: N 197 ASP cc_start: 0.6795 (m-30) cc_final: 0.6470 (m-30) REVERT: N 200 TYR cc_start: 0.7884 (m-80) cc_final: 0.6283 (m-80) REVERT: N 233 MET cc_start: 0.7932 (mtp) cc_final: 0.7729 (mtp) REVERT: N 240 LEU cc_start: 0.8011 (pt) cc_final: 0.6266 (tp) REVERT: N 257 MET cc_start: 0.7072 (mmm) cc_final: 0.6405 (mmm) REVERT: N 261 PRO cc_start: 0.8145 (Cg_exo) cc_final: 0.7362 (Cg_endo) REVERT: N 264 HIS cc_start: 0.7698 (p-80) cc_final: 0.7119 (p-80) REVERT: N 265 PHE cc_start: 0.8550 (m-80) cc_final: 0.7980 (m-80) REVERT: N 267 MET cc_start: 0.7781 (mtt) cc_final: 0.7536 (mtt) REVERT: N 270 PHE cc_start: 0.7340 (t80) cc_final: 0.6893 (t80) REVERT: N 276 ARG cc_start: 0.7403 (tpm170) cc_final: 0.6385 (tpm170) REVERT: N 280 GLN cc_start: 0.8088 (mp10) cc_final: 0.7882 (mm-40) REVERT: N 282 ARG cc_start: 0.7068 (ttt180) cc_final: 0.6856 (mmm-85) REVERT: N 290 THR cc_start: 0.8376 (m) cc_final: 0.7995 (p) REVERT: N 292 GLN cc_start: 0.7203 (tm-30) cc_final: 0.6969 (tm-30) REVERT: N 293 MET cc_start: 0.7822 (mtp) cc_final: 0.7523 (mtp) REVERT: N 295 ASP cc_start: 0.8118 (t70) cc_final: 0.7742 (t70) REVERT: N 299 MET cc_start: 0.6760 (ptt) cc_final: 0.6492 (ptt) REVERT: N 300 MET cc_start: 0.7625 (mtt) cc_final: 0.6614 (mpp) REVERT: N 340 TYR cc_start: 0.6980 (m-80) cc_final: 0.6304 (m-10) REVERT: N 350 LYS cc_start: 0.8383 (tmtt) cc_final: 0.7745 (tmtt) REVERT: N 375 GLN cc_start: 0.8486 (pp30) cc_final: 0.7705 (pp30) REVERT: N 379 LYS cc_start: 0.8467 (ptpt) cc_final: 0.8094 (ptpt) REVERT: N 388 MET cc_start: 0.7397 (mtp) cc_final: 0.6885 (mtp) REVERT: N 392 LYS cc_start: 0.7904 (mtmm) cc_final: 0.7455 (mtmm) REVERT: N 404 ASP cc_start: 0.7646 (t70) cc_final: 0.7253 (t70) REVERT: N 407 GLU cc_start: 0.7627 (mt-10) cc_final: 0.7340 (mt-10) REVERT: N 415 MET cc_start: 0.8240 (mmm) cc_final: 0.7796 (mmm) REVERT: W 19 ASN cc_start: 0.6114 (m-40) cc_final: 0.5894 (m-40) REVERT: W 64 ASP cc_start: 0.8027 (t0) cc_final: 0.7728 (t0) REVERT: W 92 THR cc_start: 0.6784 (m) cc_final: 0.6524 (p) REVERT: W 95 MET cc_start: 0.6645 (mpp) cc_final: 0.6239 (mpp) REVERT: W 134 TYR cc_start: 0.5625 (t80) cc_final: 0.5204 (t80) REVERT: W 198 ASN cc_start: 0.4753 (t0) cc_final: 0.4403 (t0) REVERT: W 228 TYR cc_start: 0.6427 (m-80) cc_final: 0.5312 (m-80) REVERT: W 265 ILE cc_start: 0.6912 (tt) cc_final: 0.6692 (tt) REVERT: W 309 GLU cc_start: 0.6761 (mt-10) cc_final: 0.6552 (mt-10) REVERT: W 313 LYS cc_start: 0.8770 (mtmt) cc_final: 0.8493 (mtmt) REVERT: F 11 GLN cc_start: 0.6362 (tp-100) cc_final: 0.5727 (tp-100) REVERT: F 24 TYR cc_start: 0.8368 (m-80) cc_final: 0.7971 (m-80) REVERT: F 31 GLN cc_start: 0.7441 (mt0) cc_final: 0.7146 (mt0) REVERT: F 36 MET cc_start: 0.7195 (tmm) cc_final: 0.6419 (tmm) REVERT: F 70 ARG cc_start: 0.7847 (mtt-85) cc_final: 0.7535 (mtt90) REVERT: F 83 GLU cc_start: 0.6734 (pm20) cc_final: 0.6109 (pm20) REVERT: F 97 GLN cc_start: 0.7365 (mp10) cc_final: 0.6456 (mp10) REVERT: F 108 ASN cc_start: 0.6465 (t0) cc_final: 0.6061 (t0) REVERT: F 114 TYR cc_start: 0.7655 (m-80) cc_final: 0.7087 (m-80) REVERT: F 119 GLU cc_start: 0.7869 (pp20) cc_final: 0.7431 (pp20) REVERT: F 155 PHE cc_start: 0.7942 (t80) cc_final: 0.7286 (t80) REVERT: F 169 LYS cc_start: 0.7471 (ptmm) cc_final: 0.7123 (ptmm) REVERT: F 175 PHE cc_start: 0.7374 (m-80) cc_final: 0.6948 (m-10) REVERT: F 192 ASN cc_start: 0.8271 (m-40) cc_final: 0.7582 (m-40) REVERT: F 220 ARG cc_start: 0.7613 (mmm-85) cc_final: 0.7402 (mmm-85) REVERT: F 227 ARG cc_start: 0.7643 (mtm-85) cc_final: 0.7308 (mtm-85) REVERT: F 232 ASN cc_start: 0.7958 (m-40) cc_final: 0.7730 (p0) REVERT: F 235 ARG cc_start: 0.7325 (mtt-85) cc_final: 0.6561 (mmm160) REVERT: F 260 GLU cc_start: 0.7679 (mp0) cc_final: 0.7453 (mp0) REVERT: F 265 LEU cc_start: 0.7277 (mt) cc_final: 0.6782 (mp) REVERT: F 319 MET cc_start: 0.6669 (mmm) cc_final: 0.5832 (mmm) REVERT: F 340 THR cc_start: 0.8648 (p) cc_final: 0.8428 (m) REVERT: F 341 ILE cc_start: 0.8931 (mm) cc_final: 0.8703 (mm) REVERT: F 348 GLN cc_start: 0.7540 (tt0) cc_final: 0.6963 (tm-30) REVERT: F 363 TYR cc_start: 0.7439 (m-10) cc_final: 0.7207 (m-80) REVERT: F 376 LYS cc_start: 0.7718 (tmtt) cc_final: 0.7408 (tmtt) REVERT: F 379 ARG cc_start: 0.7755 (ptp90) cc_final: 0.6711 (ptp90) REVERT: F 382 CYS cc_start: 0.8036 (t) cc_final: 0.7670 (t) REVERT: F 383 MET cc_start: 0.7671 (tpt) cc_final: 0.7246 (tpt) REVERT: F 400 LYS cc_start: 0.6330 (ptpt) cc_final: 0.5961 (ptmt) REVERT: F 401 PHE cc_start: 0.7350 (t80) cc_final: 0.6934 (t80) REVERT: F 407 LYS cc_start: 0.8239 (tppp) cc_final: 0.8009 (tppp) REVERT: F 410 PHE cc_start: 0.8468 (m-80) cc_final: 0.8208 (m-80) REVERT: F 414 TYR cc_start: 0.8562 (m-10) cc_final: 0.8163 (m-80) REVERT: F 417 GLU cc_start: 0.6253 (tm-30) cc_final: 0.6050 (tm-30) REVERT: F 419 MET cc_start: 0.4345 (mmp) cc_final: 0.3976 (mtt) REVERT: F 423 GLU cc_start: 0.8013 (mt-10) cc_final: 0.7759 (mt-10) REVERT: F 426 GLU cc_start: 0.7165 (tp30) cc_final: 0.6532 (tp30) REVERT: F 430 ASP cc_start: 0.7783 (t0) cc_final: 0.7059 (t0) REVERT: F 434 LEU cc_start: 0.7643 (mt) cc_final: 0.7229 (mm) REVERT: O 15 GLN cc_start: 0.8699 (mm110) cc_final: 0.8387 (mm-40) REVERT: O 22 GLU cc_start: 0.8279 (mt-10) cc_final: 0.7496 (mt-10) REVERT: O 46 ARG cc_start: 0.8564 (mmm-85) cc_final: 0.8356 (mmm-85) REVERT: O 53 GLU cc_start: 0.7557 (tp30) cc_final: 0.6891 (tp30) REVERT: O 62 ARG cc_start: 0.7506 (ptp-110) cc_final: 0.6935 (ptp-110) REVERT: O 74 ASP cc_start: 0.7409 (m-30) cc_final: 0.7158 (m-30) REVERT: O 108 GLU cc_start: 0.5884 (mp0) cc_final: 0.5291 (mp0) REVERT: O 117 LEU cc_start: 0.7765 (mm) cc_final: 0.7162 (tp) REVERT: O 121 ARG cc_start: 0.7403 (mtt180) cc_final: 0.6837 (mtt-85) REVERT: O 123 GLU cc_start: 0.7574 (tp30) cc_final: 0.7153 (tp30) REVERT: O 131 GLN cc_start: 0.6612 (tp-100) cc_final: 0.6016 (tp-100) REVERT: O 147 MET cc_start: 0.6513 (tmm) cc_final: 0.6064 (tmm) REVERT: O 151 LEU cc_start: 0.7622 (pp) cc_final: 0.7240 (pp) REVERT: O 157 GLU cc_start: 0.8032 (pt0) cc_final: 0.7733 (pt0) REVERT: O 158 GLU cc_start: 0.7991 (tt0) cc_final: 0.7433 (tt0) REVERT: O 164 MET cc_start: 0.7657 (mmm) cc_final: 0.7367 (mmm) REVERT: O 165 ASN cc_start: 0.7222 (m-40) cc_final: 0.6874 (m-40) REVERT: O 179 VAL cc_start: 0.8516 (m) cc_final: 0.8200 (p) REVERT: O 184 ASN cc_start: 0.7629 (m-40) cc_final: 0.7217 (m-40) REVERT: O 193 VAL cc_start: 0.8982 (p) cc_final: 0.8746 (p) REVERT: O 194 GLU cc_start: 0.7633 (mt-10) cc_final: 0.7284 (mt-10) REVERT: O 201 SER cc_start: 0.8110 (m) cc_final: 0.7649 (t) REVERT: O 257 MET cc_start: 0.7044 (mmp) cc_final: 0.6816 (mmp) REVERT: O 262 ARG cc_start: 0.7754 (mtt180) cc_final: 0.7267 (mtm-85) REVERT: O 265 PHE cc_start: 0.7941 (m-80) cc_final: 0.6810 (m-80) REVERT: O 267 MET cc_start: 0.7590 (ttm) cc_final: 0.7191 (ttm) REVERT: O 270 PHE cc_start: 0.7054 (t80) cc_final: 0.6846 (t80) REVERT: O 276 ARG cc_start: 0.7267 (tpm170) cc_final: 0.6220 (tpm170) REVERT: O 289 LEU cc_start: 0.8397 (pp) cc_final: 0.8029 (pp) REVERT: O 293 MET cc_start: 0.7626 (mtp) cc_final: 0.6913 (mtp) REVERT: O 300 MET cc_start: 0.7033 (mtt) cc_final: 0.6552 (mtm) REVERT: O 312 THR cc_start: 0.7192 (t) cc_final: 0.6479 (t) REVERT: O 313 VAL cc_start: 0.7432 (t) cc_final: 0.6903 (p) REVERT: O 321 MET cc_start: 0.7438 (pmm) cc_final: 0.6802 (pmm) REVERT: O 324 LYS cc_start: 0.7989 (ttpt) cc_final: 0.7725 (ttpt) REVERT: O 327 ASP cc_start: 0.7933 (m-30) cc_final: 0.6961 (m-30) REVERT: O 329 GLN cc_start: 0.8326 (mm-40) cc_final: 0.8087 (mt0) REVERT: O 330 MET cc_start: 0.7480 (ppp) cc_final: 0.6798 (ppp) REVERT: O 331 LEU cc_start: 0.8031 (tp) cc_final: 0.7588 (tp) REVERT: O 374 ILE cc_start: 0.7821 (tp) cc_final: 0.7538 (tp) REVERT: O 403 MET cc_start: 0.6108 (ttt) cc_final: 0.5759 (ttt) REVERT: O 406 MET cc_start: 0.6573 (mpp) cc_final: 0.6116 (tpp) REVERT: O 408 PHE cc_start: 0.7702 (m-80) cc_final: 0.6733 (m-80) REVERT: O 415 MET cc_start: 0.7914 (mmm) cc_final: 0.7272 (mmm) REVERT: O 418 LEU cc_start: 0.8503 (mm) cc_final: 0.8289 (pp) REVERT: O 421 GLU cc_start: 0.7520 (tt0) cc_final: 0.6861 (tt0) REVERT: O 422 TYR cc_start: 0.7974 (m-80) cc_final: 0.7553 (m-80) REVERT: X 12 MET cc_start: 0.4989 (mtm) cc_final: 0.4429 (mtm) REVERT: X 19 ASN cc_start: 0.6393 (m-40) cc_final: 0.5181 (m-40) REVERT: X 22 GLU cc_start: 0.6415 (mt-10) cc_final: 0.5938 (mt-10) REVERT: X 48 PHE cc_start: 0.5090 (m-80) cc_final: 0.4866 (m-80) REVERT: X 105 MET cc_start: 0.5496 (ptt) cc_final: 0.5233 (mtt) REVERT: X 116 PHE cc_start: 0.5715 (m-10) cc_final: 0.5441 (m-10) REVERT: X 137 ILE cc_start: 0.4173 (tp) cc_final: 0.3027 (mp) REVERT: X 180 MET cc_start: 0.6322 (mmt) cc_final: 0.6064 (mmt) REVERT: X 197 MET cc_start: 0.6110 (tpt) cc_final: 0.5043 (tpt) REVERT: X 207 ILE cc_start: 0.3429 (tt) cc_final: 0.3154 (tt) REVERT: X 250 GLU cc_start: 0.6903 (mm-30) cc_final: 0.6457 (mm-30) REVERT: X 255 ASN cc_start: 0.7398 (m-40) cc_final: 0.6953 (t0) REVERT: X 258 LEU cc_start: 0.6630 (pp) cc_final: 0.5978 (mp) REVERT: X 313 LYS cc_start: 0.7171 (mtmt) cc_final: 0.6917 (mtmt) REVERT: X 323 LYS cc_start: 0.6352 (tptm) cc_final: 0.6114 (tptm) REVERT: G 56 ASN cc_start: 0.6677 (t0) cc_final: 0.6435 (t0) REVERT: G 89 TYR cc_start: 0.5428 (m-80) cc_final: 0.5087 (m-80) REVERT: G 90 ARG cc_start: 0.6663 (mtm-85) cc_final: 0.6262 (mtm-85) REVERT: G 102 LYS cc_start: 0.7321 (tptp) cc_final: 0.6741 (tptp) REVERT: G 118 LYS cc_start: 0.8590 (mmtt) cc_final: 0.7992 (mmtt) REVERT: G 119 GLU cc_start: 0.7514 (pp20) cc_final: 0.7169 (pp20) REVERT: G 127 ARG cc_start: 0.7853 (mmm160) cc_final: 0.7590 (mmm160) REVERT: G 138 LEU cc_start: 0.6916 (tp) cc_final: 0.6674 (tp) REVERT: G 153 SER cc_start: 0.7540 (p) cc_final: 0.6853 (p) REVERT: G 174 GLU cc_start: 0.6171 (mp0) cc_final: 0.5247 (mp0) REVERT: G 175 PHE cc_start: 0.7207 (m-10) cc_final: 0.6431 (m-10) REVERT: G 191 TYR cc_start: 0.6891 (m-80) cc_final: 0.6455 (m-80) REVERT: G 192 ASN cc_start: 0.8391 (m-40) cc_final: 0.7429 (m-40) REVERT: G 209 MET cc_start: 0.6949 (mpp) cc_final: 0.6352 (mpp) REVERT: G 215 ILE cc_start: 0.7970 (tt) cc_final: 0.7613 (tt) REVERT: G 237 ILE cc_start: 0.7248 (tp) cc_final: 0.6985 (tt) REVERT: G 240 ILE cc_start: 0.7219 (mt) cc_final: 0.6865 (mt) REVERT: G 267 PRO cc_start: 0.7728 (Cg_endo) cc_final: 0.7248 (Cg_exo) REVERT: G 278 TYR cc_start: 0.7398 (t80) cc_final: 0.7076 (t80) REVERT: G 293 THR cc_start: 0.8112 (t) cc_final: 0.7285 (t) REVERT: G 296 GLU cc_start: 0.8010 (pm20) cc_final: 0.6735 (pm20) REVERT: G 308 MET cc_start: 0.7930 (mmm) cc_final: 0.7505 (mtt) REVERT: G 317 LYS cc_start: 0.5580 (mttm) cc_final: 0.4699 (mtmm) REVERT: G 319 MET cc_start: 0.5417 (mmm) cc_final: 0.5027 (mmm) REVERT: G 322 CYS cc_start: 0.6687 (p) cc_final: 0.6477 (p) REVERT: G 324 LEU cc_start: 0.7759 (pp) cc_final: 0.7501 (pp) REVERT: G 328 ASP cc_start: 0.6747 (p0) cc_final: 0.6265 (p0) REVERT: G 329 VAL cc_start: 0.8464 (t) cc_final: 0.8022 (p) REVERT: G 344 LYS cc_start: 0.8496 (ttpt) cc_final: 0.8135 (ttpt) REVERT: G 358 LYS cc_start: 0.7167 (tmtt) cc_final: 0.6596 (tmtt) REVERT: G 362 ASN cc_start: 0.7824 (t0) cc_final: 0.7513 (t0) REVERT: G 378 GLN cc_start: 0.8247 (mm110) cc_final: 0.7806 (mm-40) REVERT: G 379 ARG cc_start: 0.8453 (ptp90) cc_final: 0.7634 (mtm110) REVERT: G 401 PHE cc_start: 0.6965 (t80) cc_final: 0.6627 (t80) REVERT: G 407 LYS cc_start: 0.8371 (mmmt) cc_final: 0.7731 (mmmt) REVERT: G 408 ARG cc_start: 0.8215 (mpt180) cc_final: 0.7597 (mpt180) REVERT: P 19 LYS cc_start: 0.8380 (mmmt) cc_final: 0.7072 (mmmt) REVERT: P 22 GLU cc_start: 0.7773 (mt-10) cc_final: 0.7395 (mt-10) REVERT: P 46 ARG cc_start: 0.8463 (mmm-85) cc_final: 0.8245 (mmm-85) REVERT: P 53 GLU cc_start: 0.6368 (tp30) cc_final: 0.5985 (tp30) REVERT: P 73 MET cc_start: 0.8484 (mmt) cc_final: 0.8226 (mmt) REVERT: P 74 ASP cc_start: 0.7700 (m-30) cc_final: 0.7453 (m-30) REVERT: P 86 ARG cc_start: 0.7561 (ttm-80) cc_final: 0.7216 (mtp-110) REVERT: P 103 LYS cc_start: 0.7554 (mttt) cc_final: 0.6772 (mmmm) REVERT: P 121 ARG cc_start: 0.7290 (mtt180) cc_final: 0.7010 (mtt90) REVERT: P 123 GLU cc_start: 0.8192 (mm-30) cc_final: 0.7797 (tp30) REVERT: P 147 MET cc_start: 0.5649 (tmm) cc_final: 0.5116 (tmm) REVERT: P 157 GLU cc_start: 0.8380 (pt0) cc_final: 0.8005 (pt0) REVERT: P 181 GLU cc_start: 0.7634 (pt0) cc_final: 0.7318 (pt0) REVERT: P 196 THR cc_start: 0.6146 (p) cc_final: 0.5139 (t) REVERT: P 228 LEU cc_start: 0.8046 (mm) cc_final: 0.7575 (tp) REVERT: P 237 THR cc_start: 0.8001 (m) cc_final: 0.7438 (t) REVERT: P 257 MET cc_start: 0.6574 (mmm) cc_final: 0.6062 (mmm) REVERT: P 264 HIS cc_start: 0.7434 (p-80) cc_final: 0.6868 (p-80) REVERT: P 276 ARG cc_start: 0.7113 (tpm170) cc_final: 0.6398 (tpm170) REVERT: P 280 GLN cc_start: 0.8107 (mt0) cc_final: 0.7789 (mp10) REVERT: P 293 MET cc_start: 0.7672 (mtp) cc_final: 0.7085 (mtp) REVERT: P 295 ASP cc_start: 0.7872 (t70) cc_final: 0.7598 (t70) REVERT: P 335 ASN cc_start: 0.6942 (m110) cc_final: 0.6464 (m110) REVERT: P 340 TYR cc_start: 0.7172 (m-80) cc_final: 0.6661 (m-80) REVERT: P 344 TRP cc_start: 0.7465 (p-90) cc_final: 0.7156 (p-90) REVERT: P 375 GLN cc_start: 0.7691 (pp30) cc_final: 0.6924 (pp30) REVERT: P 379 LYS cc_start: 0.8160 (ptpt) cc_final: 0.7868 (ptpt) REVERT: P 383 GLU cc_start: 0.7255 (pp20) cc_final: 0.6938 (pp20) REVERT: P 384 GLN cc_start: 0.8027 (mt0) cc_final: 0.7675 (mt0) REVERT: P 386 THR cc_start: 0.8006 (m) cc_final: 0.7681 (m) REVERT: P 390 ARG cc_start: 0.7420 (ptt-90) cc_final: 0.6812 (ptt-90) REVERT: P 395 LEU cc_start: 0.7357 (mt) cc_final: 0.7000 (mm) REVERT: P 404 ASP cc_start: 0.7745 (m-30) cc_final: 0.7417 (t70) REVERT: P 421 GLU cc_start: 0.7696 (tt0) cc_final: 0.6751 (tt0) REVERT: Z 19 ASN cc_start: 0.6539 (m110) cc_final: 0.6060 (m110) REVERT: Z 59 GLU cc_start: 0.7172 (tp30) cc_final: 0.6609 (tp30) REVERT: Z 105 MET cc_start: 0.5103 (ptt) cc_final: 0.4681 (ptt) REVERT: Z 197 MET cc_start: 0.6437 (tpt) cc_final: 0.6016 (tpt) REVERT: Z 229 LEU cc_start: 0.5873 (mt) cc_final: 0.5646 (mt) REVERT: Z 282 MET cc_start: 0.7350 (tpt) cc_final: 0.6920 (tpt) REVERT: Z 286 LEU cc_start: 0.7260 (mm) cc_final: 0.6776 (mm) REVERT: Z 313 LYS cc_start: 0.8292 (mtmt) cc_final: 0.8037 (mtmt) REVERT: Z 320 GLN cc_start: 0.6599 (mt0) cc_final: 0.6214 (mm-40) REVERT: H 11 GLN cc_start: 0.5731 (tp-100) cc_final: 0.5303 (tm-30) REVERT: H 21 TRP cc_start: 0.7966 (m100) cc_final: 0.7244 (m100) REVERT: H 24 TYR cc_start: 0.7565 (m-80) cc_final: 0.7212 (m-80) REVERT: H 70 ARG cc_start: 0.6943 (mtt90) cc_final: 0.6627 (mtt-85) REVERT: H 90 ARG cc_start: 0.6712 (mtm-85) cc_final: 0.6328 (mtm-85) REVERT: H 93 PHE cc_start: 0.6656 (m-80) cc_final: 0.6366 (m-80) REVERT: H 139 GLN cc_start: 0.7718 (mm-40) cc_final: 0.7424 (mp10) REVERT: H 155 PHE cc_start: 0.8183 (t80) cc_final: 0.7648 (t80) REVERT: H 156 THR cc_start: 0.8083 (p) cc_final: 0.7357 (p) REVERT: H 175 PHE cc_start: 0.7586 (m-80) cc_final: 0.7140 (m-10) REVERT: H 195 LEU cc_start: 0.8075 (mt) cc_final: 0.7592 (tt) REVERT: H 209 MET cc_start: 0.7518 (mpp) cc_final: 0.7288 (mpp) REVERT: H 239 GLN cc_start: 0.7484 (mm110) cc_final: 0.6935 (tp40) REVERT: H 245 THR cc_start: 0.7368 (t) cc_final: 0.7019 (p) REVERT: H 265 LEU cc_start: 0.7826 (mp) cc_final: 0.7549 (mm) REVERT: H 289 HIS cc_start: 0.6842 (t-170) cc_final: 0.6228 (t-170) REVERT: H 290 GLU cc_start: 0.8048 (tp30) cc_final: 0.6783 (mm-30) REVERT: H 293 THR cc_start: 0.7499 (t) cc_final: 0.7240 (p) REVERT: H 312 ASP cc_start: 0.7546 (t0) cc_final: 0.7284 (t70) REVERT: H 319 MET cc_start: 0.6163 (mmm) cc_final: 0.5383 (mmm) REVERT: H 322 CYS cc_start: 0.5935 (p) cc_final: 0.5512 (p) REVERT: H 348 GLN cc_start: 0.6563 (mp10) cc_final: 0.6340 (mp-120) REVERT: H 378 GLN cc_start: 0.7484 (mp10) cc_final: 0.7281 (mp10) REVERT: H 383 MET cc_start: 0.6560 (tpt) cc_final: 0.5956 (tpt) REVERT: H 385 SER cc_start: 0.7448 (m) cc_final: 0.7190 (m) REVERT: H 396 ARG cc_start: 0.7812 (tmm160) cc_final: 0.7521 (ptt90) REVERT: H 404 MET cc_start: 0.7547 (mpp) cc_final: 0.7125 (mpp) REVERT: H 407 LYS cc_start: 0.7537 (mmmt) cc_final: 0.7196 (mttm) REVERT: H 423 GLU cc_start: 0.7946 (pt0) cc_final: 0.7191 (pm20) REVERT: R 2 ARG cc_start: 0.8013 (mtm110) cc_final: 0.7288 (mtm110) REVERT: R 15 GLN cc_start: 0.8307 (mm110) cc_final: 0.8105 (mm-40) REVERT: R 20 PHE cc_start: 0.8655 (t80) cc_final: 0.8307 (t80) REVERT: R 58 LYS cc_start: 0.7716 (tttt) cc_final: 0.7358 (tttt) REVERT: R 62 ARG cc_start: 0.7316 (ptp-110) cc_final: 0.6794 (ptp-110) REVERT: R 103 LYS cc_start: 0.8201 (mmmm) cc_final: 0.7633 (mmmm) REVERT: R 108 GLU cc_start: 0.6562 (mp0) cc_final: 0.5942 (mp0) REVERT: R 123 GLU cc_start: 0.7211 (tp30) cc_final: 0.6728 (tp30) REVERT: R 128 ASP cc_start: 0.7661 (t0) cc_final: 0.7323 (t0) REVERT: R 129 CYS cc_start: 0.8392 (t) cc_final: 0.8053 (t) REVERT: R 147 MET cc_start: 0.6395 (tmm) cc_final: 0.6097 (tmm) REVERT: R 182 PRO cc_start: 0.7591 (Cg_exo) cc_final: 0.6996 (Cg_endo) REVERT: R 184 ASN cc_start: 0.7671 (m-40) cc_final: 0.6765 (t160) REVERT: R 192 LEU cc_start: 0.8914 (mm) cc_final: 0.8370 (mm) REVERT: R 199 THR cc_start: 0.7364 (m) cc_final: 0.6500 (p) REVERT: R 200 TYR cc_start: 0.7365 (m-80) cc_final: 0.6084 (m-80) REVERT: R 232 THR cc_start: 0.8474 (p) cc_final: 0.8128 (t) REVERT: R 233 MET cc_start: 0.7984 (mtp) cc_final: 0.7300 (mtp) REVERT: R 251 ARG cc_start: 0.7883 (mtp85) cc_final: 0.6907 (mmm-85) REVERT: R 253 LEU cc_start: 0.8114 (mp) cc_final: 0.7354 (tp) REVERT: R 257 MET cc_start: 0.6760 (mpp) cc_final: 0.6270 (mpp) REVERT: R 262 ARG cc_start: 0.7809 (mmm160) cc_final: 0.7604 (mmm160) REVERT: R 264 HIS cc_start: 0.7966 (p-80) cc_final: 0.7647 (p-80) REVERT: R 266 PHE cc_start: 0.7464 (m-80) cc_final: 0.6519 (m-80) REVERT: R 268 PRO cc_start: 0.8275 (Cg_endo) cc_final: 0.7619 (Cg_exo) REVERT: R 292 GLN cc_start: 0.8317 (tt0) cc_final: 0.7497 (tm-30) REVERT: R 293 MET cc_start: 0.7907 (mtp) cc_final: 0.7660 (mtp) REVERT: R 295 ASP cc_start: 0.7754 (t70) cc_final: 0.7414 (t70) REVERT: R 298 ASN cc_start: 0.7079 (t0) cc_final: 0.6779 (t0) REVERT: R 300 MET cc_start: 0.7100 (mtt) cc_final: 0.6635 (mtm) REVERT: R 321 MET cc_start: 0.7778 (ppp) cc_final: 0.6644 (ppp) REVERT: R 325 GLU cc_start: 0.8422 (mt-10) cc_final: 0.7721 (mt-10) REVERT: R 326 VAL cc_start: 0.8564 (p) cc_final: 0.8271 (m) REVERT: R 330 MET cc_start: 0.6988 (ppp) cc_final: 0.6730 (ppp) REVERT: R 345 ILE cc_start: 0.8112 (mm) cc_final: 0.7880 (mp) REVERT: R 372 THR cc_start: 0.7791 (p) cc_final: 0.7485 (p) REVERT: R 375 GLN cc_start: 0.7964 (pt0) cc_final: 0.7380 (tp40) REVERT: R 379 LYS cc_start: 0.8680 (ptpp) cc_final: 0.7825 (pttp) REVERT: R 384 GLN cc_start: 0.8115 (mt0) cc_final: 0.7823 (mt0) REVERT: R 385 PHE cc_start: 0.7569 (t80) cc_final: 0.7105 (t80) REVERT: R 388 MET cc_start: 0.7866 (mtp) cc_final: 0.7126 (mtp) REVERT: R 394 PHE cc_start: 0.8145 (m-80) cc_final: 0.7932 (m-10) REVERT: R 404 ASP cc_start: 0.6422 (t0) cc_final: 0.6071 (t70) REVERT: R 407 GLU cc_start: 0.7978 (mt-10) cc_final: 0.7583 (mt-10) REVERT: R 415 MET cc_start: 0.8025 (mmm) cc_final: 0.7343 (mmm) REVERT: R 424 GLN cc_start: 0.7485 (tm-30) cc_final: 0.7134 (tm-30) REVERT: a 92 THR cc_start: 0.6805 (m) cc_final: 0.6568 (p) REVERT: a 95 MET cc_start: 0.5910 (mpp) cc_final: 0.5633 (mpp) REVERT: a 122 MET cc_start: 0.5733 (mmp) cc_final: 0.5284 (mmp) REVERT: a 161 ARG cc_start: 0.7743 (ttm170) cc_final: 0.7069 (ttm170) REVERT: a 171 ARG cc_start: 0.5680 (mtt180) cc_final: 0.5406 (mtt180) REVERT: a 228 TYR cc_start: 0.6478 (m-10) cc_final: 0.5601 (m-10) outliers start: 5 outliers final: 0 residues processed: 3237 average time/residue: 0.8157 time to fit residues: 4437.4003 Evaluate side-chains 3072 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3071 time to evaluate : 6.925 ------------------------------------------------------------------------------- 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: 0.0980 chunk 113 optimal weight: 1.9990 chunk 575 optimal weight: 0.7980 chunk 737 optimal weight: 0.9990 chunk 571 optimal weight: 0.7980 chunk 850 optimal weight: 2.9990 chunk 564 optimal weight: 10.0000 chunk 1006 optimal weight: 7.9990 chunk 629 optimal weight: 0.5980 chunk 613 optimal weight: 0.9990 chunk 464 optimal weight: 10.0000 overall best weight: 0.6582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 378 GLN ** A 412 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 315 HIS B 335 ASN B 348 GLN K 292 GLN ** K 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 315 HIS D 192 ASN ** D 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 198 HIS ** E 203 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 362 ASN N 37 HIS ** N 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 156 HIS W 308 ASN F 139 GLN F 239 GLN F 262 GLN F 289 HIS O 28 HIS ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN O 298 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 232 ASN G 234 ASN ** G 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 307 HIS P 424 GLN ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 11 GLN ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 117 ASN a 255 ASN Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6449 moved from start: 0.5090 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.040 85860 Z= 0.135 Angle : 0.541 9.275 116442 Z= 0.268 Chirality : 0.043 0.271 12825 Planarity : 0.003 0.059 15075 Dihedral : 8.992 156.653 12231 Min Nonbonded Distance : 2.098 Molprobity Statistics. All-atom Clashscore : 11.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.26 % Favored : 97.74 % Rotamer: Outliers : 0.05 % Allowed : 1.05 % Favored : 98.90 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.75 (0.08), residues: 10530 helix: -0.11 (0.08), residues: 4212 sheet: -0.23 (0.12), residues: 1755 loop : -0.85 (0.09), residues: 4563 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.047 0.002 TRP B 352 HIS 0.012 0.001 HIS F 289 PHE 0.027 0.001 PHE J 20 TYR 0.020 0.001 TYR G 278 ARG 0.013 0.000 ARG Q 391 *********************** 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 3183 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 3178 time to evaluate : 7.123 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: I 22 GLU cc_start: 0.8106 (pt0) cc_final: 0.7712 (pt0) REVERT: I 70 ARG cc_start: 0.7663 (mtt-85) cc_final: 0.7134 (mtt90) REVERT: I 74 VAL cc_start: 0.7295 (m) cc_final: 0.7029 (p) REVERT: I 89 TYR cc_start: 0.6141 (m-80) cc_final: 0.5835 (m-80) REVERT: I 90 ARG cc_start: 0.6846 (mtm-85) cc_final: 0.6206 (mtm-85) REVERT: I 108 ASN cc_start: 0.6749 (t0) cc_final: 0.6163 (t0) REVERT: I 116 ILE cc_start: 0.7472 (mm) cc_final: 0.7194 (mm) REVERT: I 144 PHE cc_start: 0.7508 (m-80) cc_final: 0.6718 (m-80) REVERT: I 158 LEU cc_start: 0.8272 (tp) cc_final: 0.8032 (tp) REVERT: I 192 ASN cc_start: 0.8435 (m-40) cc_final: 0.7770 (m-40) REVERT: I 194 ILE cc_start: 0.8140 (tt) cc_final: 0.7880 (tt) REVERT: I 255 ASN cc_start: 0.6914 (m110) cc_final: 0.6542 (m-40) REVERT: I 265 LEU cc_start: 0.7756 (mp) cc_final: 0.7312 (mm) REVERT: I 270 ARG cc_start: 0.7069 (mtp180) cc_final: 0.6618 (ttt-90) REVERT: I 289 HIS cc_start: 0.6188 (m90) cc_final: 0.5971 (m90) REVERT: I 290 GLU cc_start: 0.6973 (tp30) cc_final: 0.6707 (pt0) REVERT: I 298 THR cc_start: 0.8193 (p) cc_final: 0.7846 (t) REVERT: I 306 ASN cc_start: 0.8056 (t0) cc_final: 0.7386 (t0) REVERT: I 309 VAL cc_start: 0.8606 (t) cc_final: 0.8285 (m) REVERT: I 322 CYS cc_start: 0.6550 (p) cc_final: 0.6054 (p) REVERT: I 325 TYR cc_start: 0.8203 (m-10) cc_final: 0.7929 (m-10) REVERT: I 328 ASP cc_start: 0.6412 (p0) cc_final: 0.5922 (p0) REVERT: I 344 LYS cc_start: 0.8308 (ttpt) cc_final: 0.7989 (ttpt) REVERT: I 348 GLN cc_start: 0.7044 (pt0) cc_final: 0.6665 (tm-30) REVERT: I 349 PHE cc_start: 0.8215 (m-80) cc_final: 0.7717 (m-10) REVERT: I 361 ILE cc_start: 0.7604 (mp) cc_final: 0.7324 (mp) REVERT: I 362 ASN cc_start: 0.8072 (t0) cc_final: 0.7729 (t0) REVERT: I 376 LYS cc_start: 0.8077 (tmtt) cc_final: 0.7783 (tmtt) REVERT: I 378 GLN cc_start: 0.7835 (mm110) cc_final: 0.6933 (mm-40) REVERT: I 379 ARG cc_start: 0.8072 (ptp90) cc_final: 0.7710 (ptt-90) REVERT: I 383 MET cc_start: 0.6818 (tpt) cc_final: 0.6127 (tpt) REVERT: I 386 ASN cc_start: 0.6526 (t0) cc_final: 0.6276 (t0) REVERT: I 392 GLU cc_start: 0.7482 (pt0) cc_final: 0.7273 (pt0) REVERT: I 396 ARG cc_start: 0.8760 (ptm-80) cc_final: 0.8385 (ptm-80) REVERT: I 400 LYS cc_start: 0.7610 (ptpt) cc_final: 0.7163 (mtmm) REVERT: I 401 PHE cc_start: 0.7676 (t80) cc_final: 0.7159 (t80) REVERT: I 407 LYS cc_start: 0.8342 (mmmt) cc_final: 0.7662 (mmmt) REVERT: I 408 ARG cc_start: 0.8127 (mpt180) cc_final: 0.7481 (mpt180) REVERT: I 410 PHE cc_start: 0.8714 (m-80) cc_final: 0.8291 (m-10) REVERT: I 419 MET cc_start: 0.7366 (mmm) cc_final: 0.6853 (mmp) REVERT: I 424 PHE cc_start: 0.8002 (m-10) cc_final: 0.7737 (m-10) REVERT: I 440 GLU cc_start: 0.8264 (tt0) cc_final: 0.7847 (tt0) REVERT: Q 14 ASN cc_start: 0.8694 (m110) cc_final: 0.8272 (m110) REVERT: Q 42 LEU cc_start: 0.8835 (mt) cc_final: 0.8623 (mt) REVERT: Q 73 MET cc_start: 0.8508 (mmt) cc_final: 0.8024 (mmt) REVERT: Q 103 LYS cc_start: 0.7367 (mttt) cc_final: 0.6592 (mmmm) REVERT: Q 121 ARG cc_start: 0.7980 (ttm110) cc_final: 0.7552 (ttm110) REVERT: Q 147 MET cc_start: 0.5890 (tmm) cc_final: 0.5263 (tmm) REVERT: Q 149 THR cc_start: 0.8613 (p) cc_final: 0.8351 (p) REVERT: Q 150 LEU cc_start: 0.8069 (tt) cc_final: 0.7777 (mm) REVERT: Q 160 PRO cc_start: 0.8219 (Cg_endo) cc_final: 0.7774 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6159 (mmt-90) cc_final: 0.5744 (mmt-90) REVERT: Q 190 HIS cc_start: 0.7590 (t70) cc_final: 0.7096 (t-90) REVERT: Q 205 GLU cc_start: 0.7757 (tm-30) cc_final: 0.6980 (tp30) REVERT: Q 227 HIS cc_start: 0.7656 (t70) cc_final: 0.7219 (m-70) REVERT: Q 233 MET cc_start: 0.8141 (mtp) cc_final: 0.7765 (mtp) REVERT: Q 240 LEU cc_start: 0.8102 (pp) cc_final: 0.7726 (pp) REVERT: Q 241 ARG cc_start: 0.7400 (mtm110) cc_final: 0.6548 (mtm110) REVERT: Q 256 ASN cc_start: 0.8479 (m-40) cc_final: 0.8266 (m-40) REVERT: Q 257 MET cc_start: 0.6942 (mmm) cc_final: 0.6586 (mmm) REVERT: Q 266 PHE cc_start: 0.7892 (m-10) cc_final: 0.7597 (m-10) REVERT: Q 276 ARG cc_start: 0.7216 (tpm170) cc_final: 0.6122 (tpm170) REVERT: Q 280 GLN cc_start: 0.7860 (mp-120) cc_final: 0.7225 (mp10) REVERT: Q 290 THR cc_start: 0.8256 (m) cc_final: 0.7815 (t) REVERT: Q 293 MET cc_start: 0.7809 (mtp) cc_final: 0.7055 (mtp) REVERT: Q 295 ASP cc_start: 0.8134 (t70) cc_final: 0.7927 (t70) REVERT: Q 307 HIS cc_start: 0.7578 (m90) cc_final: 0.7336 (m-70) REVERT: Q 312 THR cc_start: 0.7656 (t) cc_final: 0.6579 (t) REVERT: Q 321 MET cc_start: 0.7787 (ptp) cc_final: 0.7109 (ptp) REVERT: Q 330 MET cc_start: 0.7042 (ppp) cc_final: 0.6588 (ppp) REVERT: Q 335 ASN cc_start: 0.7194 (m110) cc_final: 0.6921 (m110) REVERT: Q 337 ASN cc_start: 0.7634 (m110) cc_final: 0.6748 (m-40) REVERT: Q 340 TYR cc_start: 0.7264 (m-80) cc_final: 0.6512 (m-80) REVERT: Q 350 LYS cc_start: 0.7677 (tmtt) cc_final: 0.6851 (tmtt) REVERT: Q 354 CYS cc_start: 0.7798 (t) cc_final: 0.7499 (t) REVERT: Q 355 ASP cc_start: 0.7937 (m-30) cc_final: 0.7665 (m-30) REVERT: Q 363 MET cc_start: 0.6887 (ppp) cc_final: 0.6582 (ppp) REVERT: Q 375 GLN cc_start: 0.7937 (pt0) cc_final: 0.7682 (pt0) REVERT: Q 379 LYS cc_start: 0.8538 (ptpt) cc_final: 0.8148 (pttt) REVERT: Q 383 GLU cc_start: 0.7496 (pp20) cc_final: 0.7239 (pp20) REVERT: Q 384 GLN cc_start: 0.8317 (mt0) cc_final: 0.8004 (mt0) REVERT: Q 385 PHE cc_start: 0.7596 (t80) cc_final: 0.7286 (t80) REVERT: Q 392 LYS cc_start: 0.7849 (mtmm) cc_final: 0.7512 (mtmm) REVERT: Q 397 TRP cc_start: 0.7696 (m100) cc_final: 0.7035 (m100) REVERT: Q 401 GLU cc_start: 0.7770 (mm-30) cc_final: 0.7219 (mm-30) REVERT: Q 404 ASP cc_start: 0.7766 (t70) cc_final: 0.7557 (t70) REVERT: Q 421 GLU cc_start: 0.7494 (tt0) cc_final: 0.6864 (tt0) REVERT: Y 8 ASN cc_start: 0.5570 (m110) cc_final: 0.5323 (m110) REVERT: Y 19 ASN cc_start: 0.7072 (m-40) cc_final: 0.6624 (m-40) REVERT: Y 59 GLU cc_start: 0.7519 (tp30) cc_final: 0.7213 (tp30) REVERT: Y 122 MET cc_start: 0.5508 (pmm) cc_final: 0.4864 (pmm) REVERT: Y 198 ASN cc_start: 0.6250 (t0) cc_final: 0.5271 (t0) REVERT: Y 226 LYS cc_start: 0.7069 (mtmt) cc_final: 0.6506 (mtmt) REVERT: Y 256 LYS cc_start: 0.7711 (mmmt) cc_final: 0.6847 (mmmt) REVERT: Y 282 MET cc_start: 0.7859 (tpt) cc_final: 0.7346 (tpt) REVERT: Y 311 GLU cc_start: 0.7162 (pp20) cc_final: 0.6816 (pp20) REVERT: Y 313 LYS cc_start: 0.8604 (mtmt) cc_final: 0.8293 (mtmt) REVERT: Y 316 LEU cc_start: 0.7453 (mt) cc_final: 0.7168 (mt) REVERT: Y 320 GLN cc_start: 0.7080 (mt0) cc_final: 0.6815 (mm-40) REVERT: A 22 GLU cc_start: 0.7716 (pt0) cc_final: 0.7348 (pt0) REVERT: A 31 GLN cc_start: 0.7278 (tm-30) cc_final: 0.6960 (tm-30) REVERT: A 36 MET cc_start: 0.7958 (ttp) cc_final: 0.7600 (mtm) REVERT: A 61 GLU cc_start: 0.5362 (tm-30) cc_final: 0.5091 (tm-30) REVERT: A 77 GLU cc_start: 0.6585 (pt0) cc_final: 0.6280 (pt0) REVERT: A 82 ASP cc_start: 0.7960 (p0) cc_final: 0.7622 (p0) REVERT: A 91 GLN cc_start: 0.7482 (mp10) cc_final: 0.7109 (mp10) REVERT: A 93 PHE cc_start: 0.7011 (m-80) cc_final: 0.6411 (m-80) REVERT: A 96 GLU cc_start: 0.7726 (tt0) cc_final: 0.7105 (tt0) REVERT: A 107 ASN cc_start: 0.7039 (m-40) cc_final: 0.6594 (m-40) REVERT: A 127 ARG cc_start: 0.6952 (mmm-85) cc_final: 0.6396 (mmm-85) REVERT: A 142 LEU cc_start: 0.7553 (pt) cc_final: 0.6932 (pt) REVERT: A 144 PHE cc_start: 0.7121 (m-80) cc_final: 0.6783 (m-80) REVERT: A 155 PHE cc_start: 0.8026 (t80) cc_final: 0.7385 (t80) REVERT: A 158 LEU cc_start: 0.8036 (tp) cc_final: 0.7763 (tp) REVERT: A 163 LEU cc_start: 0.8411 (tp) cc_final: 0.8076 (tp) REVERT: A 172 LYS cc_start: 0.7572 (mtmm) cc_final: 0.7332 (mtmm) REVERT: A 174 GLU cc_start: 0.6775 (mp0) cc_final: 0.5854 (mp0) REVERT: A 175 PHE cc_start: 0.7817 (m-80) cc_final: 0.6738 (m-80) REVERT: A 233 LEU cc_start: 0.8551 (mp) cc_final: 0.8071 (tt) REVERT: A 235 ARG cc_start: 0.8366 (tpp80) cc_final: 0.8024 (tpp80) REVERT: A 259 THR cc_start: 0.7999 (p) cc_final: 0.7504 (p) REVERT: A 290 GLU cc_start: 0.7518 (tp30) cc_final: 0.6970 (tp30) REVERT: A 319 MET cc_start: 0.6304 (mmm) cc_final: 0.5809 (mmm) REVERT: A 322 CYS cc_start: 0.6030 (p) cc_final: 0.5801 (p) REVERT: A 358 LYS cc_start: 0.7210 (tmtt) cc_final: 0.6512 (mmtt) REVERT: A 378 GLN cc_start: 0.8419 (mm110) cc_final: 0.7938 (mm-40) REVERT: A 384 LEU cc_start: 0.7254 (mm) cc_final: 0.6807 (mm) REVERT: A 385 SER cc_start: 0.7857 (m) cc_final: 0.7528 (p) REVERT: A 390 ILE cc_start: 0.7821 (tp) cc_final: 0.7467 (tp) REVERT: A 401 PHE cc_start: 0.8050 (t80) cc_final: 0.7705 (t80) REVERT: A 407 LYS cc_start: 0.7154 (mtpt) cc_final: 0.6820 (mtpt) REVERT: A 408 ARG cc_start: 0.7471 (mmt-90) cc_final: 0.7106 (mmt-90) REVERT: A 410 PHE cc_start: 0.8154 (m-80) cc_final: 0.7934 (m-10) REVERT: A 436 LYS cc_start: 0.7528 (tmmt) cc_final: 0.6765 (tmmt) REVERT: A 440 GLU cc_start: 0.8253 (tt0) cc_final: 0.7799 (tt0) REVERT: J 4 ILE cc_start: 0.7762 (mp) cc_final: 0.7556 (mp) REVERT: J 22 GLU cc_start: 0.8281 (mt-10) cc_final: 0.7879 (mt-10) REVERT: J 58 LYS cc_start: 0.7453 (tttt) cc_final: 0.7217 (tttt) REVERT: J 73 MET cc_start: 0.8444 (mmt) cc_final: 0.7603 (mmt) REVERT: J 106 TYR cc_start: 0.7760 (m-80) cc_final: 0.7369 (m-80) REVERT: J 123 GLU cc_start: 0.8120 (mm-30) cc_final: 0.7642 (mm-30) REVERT: J 147 MET cc_start: 0.5888 (tmm) cc_final: 0.5468 (tmm) REVERT: J 157 GLU cc_start: 0.7787 (pt0) cc_final: 0.7397 (pt0) REVERT: J 191 GLN cc_start: 0.8073 (mp10) cc_final: 0.7589 (mp-120) REVERT: J 198 GLU cc_start: 0.6793 (tp30) cc_final: 0.6061 (tp30) REVERT: J 208 TYR cc_start: 0.7662 (m-80) cc_final: 0.7077 (m-80) REVERT: J 237 THR cc_start: 0.8640 (t) cc_final: 0.8291 (p) REVERT: J 257 MET cc_start: 0.6788 (mmm) cc_final: 0.6233 (mmm) REVERT: J 265 PHE cc_start: 0.8457 (m-80) cc_final: 0.7895 (m-80) REVERT: J 266 PHE cc_start: 0.7819 (m-10) cc_final: 0.7480 (m-10) REVERT: J 270 PHE cc_start: 0.7013 (t80) cc_final: 0.6437 (t80) REVERT: J 292 GLN cc_start: 0.7359 (tt0) cc_final: 0.6698 (tm-30) REVERT: J 295 ASP cc_start: 0.7847 (t70) cc_final: 0.7406 (t0) REVERT: J 300 MET cc_start: 0.7918 (mtm) cc_final: 0.6840 (mpp) REVERT: J 326 VAL cc_start: 0.8693 (t) cc_final: 0.8210 (t) REVERT: J 330 MET cc_start: 0.7119 (ppp) cc_final: 0.6630 (ppp) REVERT: J 337 ASN cc_start: 0.6370 (t0) cc_final: 0.5747 (t0) REVERT: J 343 GLU cc_start: 0.6783 (pm20) cc_final: 0.6446 (pm20) REVERT: J 367 PHE cc_start: 0.7542 (t80) cc_final: 0.7157 (t80) REVERT: J 379 LYS cc_start: 0.8692 (ptpt) cc_final: 0.8104 (pttp) REVERT: J 384 GLN cc_start: 0.8520 (mt0) cc_final: 0.7797 (mm-40) REVERT: J 388 MET cc_start: 0.7981 (mtp) cc_final: 0.7688 (mtp) REVERT: J 389 PHE cc_start: 0.8275 (t80) cc_final: 0.8003 (t80) REVERT: J 395 LEU cc_start: 0.8570 (mt) cc_final: 0.8161 (mt) REVERT: S 49 ASP cc_start: 0.5149 (m-30) cc_final: 0.4773 (m-30) REVERT: S 116 PHE cc_start: 0.6014 (m-80) cc_final: 0.5696 (m-80) REVERT: S 211 ASN cc_start: 0.5902 (t0) cc_final: 0.5436 (t0) REVERT: S 256 LYS cc_start: 0.8427 (mmmt) cc_final: 0.8054 (mmmt) REVERT: S 274 TYR cc_start: 0.4539 (t80) cc_final: 0.3671 (t80) REVERT: S 307 TYR cc_start: 0.6430 (t80) cc_final: 0.6215 (t80) REVERT: B 3 GLU cc_start: 0.5528 (mp0) cc_final: 0.5172 (mp0) REVERT: B 15 GLN cc_start: 0.7464 (tt0) cc_final: 0.7247 (mm-40) REVERT: B 96 GLU cc_start: 0.8054 (tt0) cc_final: 0.7492 (tt0) REVERT: B 108 ASN cc_start: 0.6728 (t0) cc_final: 0.6474 (t0) REVERT: B 114 TYR cc_start: 0.8091 (m-80) cc_final: 0.7106 (m-80) REVERT: B 127 ARG cc_start: 0.8374 (mmm160) cc_final: 0.7889 (mmm-85) REVERT: B 129 ARG cc_start: 0.6496 (tpm170) cc_final: 0.5534 (tpm170) REVERT: B 134 GLN cc_start: 0.7924 (tm-30) cc_final: 0.7700 (tm-30) REVERT: B 142 LEU cc_start: 0.7410 (pt) cc_final: 0.7139 (pp) REVERT: B 163 LEU cc_start: 0.8724 (mm) cc_final: 0.8363 (mt) REVERT: B 169 LYS cc_start: 0.7657 (ptmm) cc_final: 0.7308 (ptmm) REVERT: B 193 SER cc_start: 0.8247 (m) cc_final: 0.7970 (p) REVERT: B 235 ARG cc_start: 0.7669 (mtt-85) cc_final: 0.6845 (mmm160) REVERT: B 239 GLN cc_start: 0.7553 (tp-100) cc_final: 0.7197 (tp-100) REVERT: B 282 ILE cc_start: 0.7138 (tp) cc_final: 0.6920 (mm) REVERT: B 286 LYS cc_start: 0.8281 (ttmm) cc_final: 0.7439 (ttmm) REVERT: B 289 HIS cc_start: 0.7393 (m170) cc_final: 0.6968 (m170) REVERT: B 290 GLU cc_start: 0.7688 (tp30) cc_final: 0.6550 (pt0) REVERT: B 306 ASN cc_start: 0.7694 (t0) cc_final: 0.7491 (t0) REVERT: B 318 TYR cc_start: 0.5945 (m-10) cc_final: 0.5730 (m-10) REVERT: B 341 ILE cc_start: 0.8936 (mm) cc_final: 0.8690 (mm) REVERT: B 344 LYS cc_start: 0.8134 (ttpt) cc_final: 0.7779 (ttpt) REVERT: B 349 PHE cc_start: 0.7956 (m-80) cc_final: 0.7627 (m-10) REVERT: B 379 ARG cc_start: 0.7819 (ptp90) cc_final: 0.7584 (mtm-85) REVERT: B 383 MET cc_start: 0.7478 (tpt) cc_final: 0.7044 (tpt) REVERT: B 401 PHE cc_start: 0.7653 (t80) cc_final: 0.6972 (t80) REVERT: B 407 LYS cc_start: 0.8423 (mmmt) cc_final: 0.8153 (mmmt) REVERT: B 410 PHE cc_start: 0.8409 (m-80) cc_final: 0.8097 (m-80) REVERT: B 417 GLU cc_start: 0.6365 (tm-30) cc_final: 0.6162 (tm-30) REVERT: B 426 GLU cc_start: 0.7063 (tp30) cc_final: 0.6320 (tp30) REVERT: B 430 ASP cc_start: 0.7801 (t0) cc_final: 0.7403 (t0) REVERT: B 440 GLU cc_start: 0.8200 (tt0) cc_final: 0.7514 (pt0) REVERT: K 1 MET cc_start: 0.7583 (tpp) cc_final: 0.7326 (tpt) REVERT: K 3 GLU cc_start: 0.7119 (mp0) cc_final: 0.6109 (mp0) REVERT: K 15 GLN cc_start: 0.8781 (mm-40) cc_final: 0.8121 (mm-40) REVERT: K 19 LYS cc_start: 0.8026 (tptt) cc_final: 0.7464 (tptt) REVERT: K 22 GLU cc_start: 0.8335 (mt-10) cc_final: 0.7813 (mt-10) REVERT: K 47 ILE cc_start: 0.8317 (tt) cc_final: 0.8114 (tt) REVERT: K 58 LYS cc_start: 0.7813 (mmmm) cc_final: 0.7488 (mmmm) REVERT: K 59 TYR cc_start: 0.6877 (m-80) cc_final: 0.6583 (m-80) REVERT: K 73 MET cc_start: 0.8414 (mmt) cc_final: 0.7222 (mmt) REVERT: K 131 GLN cc_start: 0.6802 (tp-100) cc_final: 0.5980 (tp-100) REVERT: K 162 ARG cc_start: 0.6153 (mpt-90) cc_final: 0.5946 (mpt-90) REVERT: K 164 MET cc_start: 0.7759 (tpt) cc_final: 0.7553 (mmm) REVERT: K 191 GLN cc_start: 0.7998 (mp10) cc_final: 0.7678 (mp10) REVERT: K 194 GLU cc_start: 0.7275 (pt0) cc_final: 0.7060 (pt0) REVERT: K 213 ARG cc_start: 0.6093 (mtm180) cc_final: 0.5475 (mtm-85) REVERT: K 227 HIS cc_start: 0.7702 (t-90) cc_final: 0.7282 (t-90) REVERT: K 233 MET cc_start: 0.8062 (mtm) cc_final: 0.7756 (mtm) REVERT: K 257 MET cc_start: 0.7741 (mmm) cc_final: 0.7040 (mmm) REVERT: K 262 ARG cc_start: 0.7799 (mmt90) cc_final: 0.7559 (mtt-85) REVERT: K 264 HIS cc_start: 0.7566 (p-80) cc_final: 0.6858 (p90) REVERT: K 280 GLN cc_start: 0.7906 (mp10) cc_final: 0.7638 (mp10) REVERT: K 290 THR cc_start: 0.7488 (m) cc_final: 0.7069 (p) REVERT: K 293 MET cc_start: 0.7558 (mtp) cc_final: 0.6902 (mtp) REVERT: K 298 ASN cc_start: 0.7514 (t0) cc_final: 0.7073 (t0) REVERT: K 299 MET cc_start: 0.5667 (ptt) cc_final: 0.4913 (ptt) REVERT: K 300 MET cc_start: 0.7037 (mtm) cc_final: 0.5800 (mpp) REVERT: K 321 MET cc_start: 0.7608 (pmm) cc_final: 0.6926 (pmm) REVERT: K 323 MET cc_start: 0.7337 (mmp) cc_final: 0.7080 (mmp) REVERT: K 324 LYS cc_start: 0.8100 (ttpt) cc_final: 0.7823 (ttpp) REVERT: K 325 GLU cc_start: 0.8323 (mt-10) cc_final: 0.7744 (mt-10) REVERT: K 327 ASP cc_start: 0.7373 (m-30) cc_final: 0.6374 (m-30) REVERT: K 330 MET cc_start: 0.6587 (ppp) cc_final: 0.6174 (ppp) REVERT: K 335 ASN cc_start: 0.6856 (m110) cc_final: 0.6623 (m-40) REVERT: K 375 GLN cc_start: 0.8624 (pt0) cc_final: 0.7809 (pt0) REVERT: K 379 LYS cc_start: 0.8557 (ptpt) cc_final: 0.8221 (ptpt) REVERT: K 390 ARG cc_start: 0.7951 (ptm-80) cc_final: 0.7651 (ptm-80) REVERT: K 391 ARG cc_start: 0.3051 (ptt180) cc_final: 0.1340 (ptt90) REVERT: K 401 GLU cc_start: 0.7186 (mm-30) cc_final: 0.6431 (mm-30) REVERT: K 408 PHE cc_start: 0.7979 (m-80) cc_final: 0.7509 (m-80) REVERT: K 414 ASN cc_start: 0.8434 (m-40) cc_final: 0.7995 (m-40) REVERT: K 415 MET cc_start: 0.8315 (mmm) cc_final: 0.7882 (mmm) REVERT: K 418 LEU cc_start: 0.8418 (pp) cc_final: 0.8178 (pp) REVERT: T 12 MET cc_start: 0.5675 (mtt) cc_final: 0.5355 (mtt) REVERT: T 22 GLU cc_start: 0.6337 (mt-10) cc_final: 0.5884 (mt-10) REVERT: T 44 LYS cc_start: 0.6479 (pttm) cc_final: 0.6167 (pttm) REVERT: T 105 MET cc_start: 0.5347 (ptt) cc_final: 0.4802 (ppp) REVERT: T 125 ASN cc_start: 0.7750 (p0) cc_final: 0.7148 (t0) REVERT: T 217 THR cc_start: 0.5449 (p) cc_final: 0.4962 (p) REVERT: T 250 GLU cc_start: 0.6691 (mm-30) cc_final: 0.6277 (mm-30) REVERT: T 256 LYS cc_start: 0.7394 (mmmt) cc_final: 0.7038 (mmmt) REVERT: T 287 GLN cc_start: 0.8023 (pp30) cc_final: 0.7783 (pp30) REVERT: T 313 LYS cc_start: 0.8002 (mtmt) cc_final: 0.7719 (mtmt) REVERT: C 3 GLU cc_start: 0.6683 (pt0) cc_final: 0.6443 (pt0) REVERT: C 15 GLN cc_start: 0.7876 (mm-40) cc_final: 0.7616 (mm-40) REVERT: C 83 GLU cc_start: 0.7127 (pm20) cc_final: 0.6727 (pm20) REVERT: C 108 ASN cc_start: 0.6642 (t0) cc_final: 0.6215 (t0) REVERT: C 114 TYR cc_start: 0.8178 (m-80) cc_final: 0.7640 (m-80) REVERT: C 119 GLU cc_start: 0.7648 (pp20) cc_final: 0.7299 (pp20) REVERT: C 161 GLU cc_start: 0.8415 (pt0) cc_final: 0.8145 (pt0) REVERT: C 169 LYS cc_start: 0.7870 (ptmm) cc_final: 0.7508 (ptmm) REVERT: C 172 LYS cc_start: 0.7530 (mtmm) cc_final: 0.7153 (mtmm) REVERT: C 192 ASN cc_start: 0.8450 (m-40) cc_final: 0.7668 (m-40) REVERT: C 227 ARG cc_start: 0.7256 (mtm-85) cc_final: 0.6803 (mmm-85) REVERT: C 233 LEU cc_start: 0.8484 (mp) cc_final: 0.7879 (tp) REVERT: C 235 ARG cc_start: 0.7816 (mtt-85) cc_final: 0.7263 (mmm-85) REVERT: C 248 LEU cc_start: 0.8940 (mt) cc_final: 0.8368 (pp) REVERT: C 263 THR cc_start: 0.8376 (p) cc_final: 0.7909 (t) REVERT: C 308 MET cc_start: 0.7539 (mtt) cc_final: 0.7054 (mtp) REVERT: C 311 CYS cc_start: 0.8100 (m) cc_final: 0.7179 (p) REVERT: C 319 MET cc_start: 0.6854 (mmm) cc_final: 0.6178 (mmm) REVERT: C 348 GLN cc_start: 0.7289 (tm-30) cc_final: 0.6869 (tm-30) REVERT: C 349 PHE cc_start: 0.6998 (m-80) cc_final: 0.6674 (m-80) REVERT: C 351 ASP cc_start: 0.8021 (p0) cc_final: 0.7419 (p0) REVERT: C 355 THR cc_start: 0.8307 (p) cc_final: 0.7782 (t) REVERT: C 361 ILE cc_start: 0.7337 (mp) cc_final: 0.7002 (mm) REVERT: C 362 ASN cc_start: 0.7898 (t0) cc_final: 0.7409 (t0) REVERT: C 363 TYR cc_start: 0.7566 (m-10) cc_final: 0.7286 (m-10) REVERT: C 379 ARG cc_start: 0.7788 (ptp90) cc_final: 0.7409 (mtm-85) REVERT: C 383 MET cc_start: 0.7171 (tpt) cc_final: 0.6729 (tpt) REVERT: C 386 ASN cc_start: 0.6433 (t0) cc_final: 0.6139 (t0) REVERT: C 400 LYS cc_start: 0.7061 (ptpt) cc_final: 0.6477 (pttm) REVERT: C 401 PHE cc_start: 0.7600 (t80) cc_final: 0.6985 (t80) REVERT: C 404 MET cc_start: 0.7447 (mtm) cc_final: 0.6819 (mtm) REVERT: C 407 LYS cc_start: 0.8110 (mmmt) cc_final: 0.7821 (mmmm) REVERT: C 410 PHE cc_start: 0.8480 (m-80) cc_final: 0.7822 (m-10) REVERT: C 419 MET cc_start: 0.7254 (mmp) cc_final: 0.6839 (mmp) REVERT: C 423 GLU cc_start: 0.7398 (pm20) cc_final: 0.7033 (pm20) REVERT: C 426 GLU cc_start: 0.7401 (tp30) cc_final: 0.6627 (tp30) REVERT: C 430 ASP cc_start: 0.7797 (t0) cc_final: 0.7379 (t0) REVERT: C 440 GLU cc_start: 0.8180 (tt0) cc_final: 0.7656 (pt0) REVERT: L 2 ARG cc_start: 0.8200 (mtm110) cc_final: 0.7536 (mmm160) REVERT: L 22 GLU cc_start: 0.8441 (mt-10) cc_final: 0.8066 (mt-10) REVERT: L 24 ILE cc_start: 0.9037 (pt) cc_final: 0.8683 (pt) REVERT: L 45 GLU cc_start: 0.7854 (pp20) cc_final: 0.7621 (pp20) REVERT: L 53 GLU cc_start: 0.7590 (tp30) cc_final: 0.6657 (tp30) REVERT: L 59 TYR cc_start: 0.6220 (m-80) cc_final: 0.5871 (m-80) REVERT: L 62 ARG cc_start: 0.7404 (ttm-80) cc_final: 0.6338 (ttm-80) REVERT: L 66 VAL cc_start: 0.7872 (m) cc_final: 0.7430 (p) REVERT: L 73 MET cc_start: 0.8316 (mmt) cc_final: 0.7547 (mmt) REVERT: L 74 ASP cc_start: 0.7511 (m-30) cc_final: 0.7278 (m-30) REVERT: L 121 ARG cc_start: 0.8060 (mmm-85) cc_final: 0.7716 (mmm-85) REVERT: L 122 LYS cc_start: 0.8008 (pptt) cc_final: 0.7642 (pptt) REVERT: L 123 GLU cc_start: 0.7884 (mm-30) cc_final: 0.7479 (tp30) REVERT: L 147 MET cc_start: 0.6354 (tmm) cc_final: 0.5827 (tmm) REVERT: L 164 MET cc_start: 0.7663 (tpp) cc_final: 0.7412 (mmm) REVERT: L 184 ASN cc_start: 0.7761 (m-40) cc_final: 0.7466 (m-40) REVERT: L 187 LEU cc_start: 0.8710 (mt) cc_final: 0.8216 (mt) REVERT: L 194 GLU cc_start: 0.7172 (pt0) cc_final: 0.6922 (pt0) REVERT: L 224 ASP cc_start: 0.7080 (m-30) cc_final: 0.6856 (m-30) REVERT: L 241 ARG cc_start: 0.7680 (mtm110) cc_final: 0.7156 (ttp80) REVERT: L 242 PHE cc_start: 0.7918 (m-80) cc_final: 0.7456 (m-80) REVERT: L 245 GLN cc_start: 0.7093 (mm-40) cc_final: 0.6246 (mm-40) REVERT: L 257 MET cc_start: 0.7754 (mmm) cc_final: 0.6843 (mmm) REVERT: L 262 ARG cc_start: 0.6945 (mtm-85) cc_final: 0.6691 (mtm-85) REVERT: L 265 PHE cc_start: 0.8249 (m-80) cc_final: 0.7257 (m-80) REVERT: L 267 MET cc_start: 0.7753 (mtt) cc_final: 0.7349 (mtt) REVERT: L 270 PHE cc_start: 0.6763 (t80) cc_final: 0.6404 (t80) REVERT: L 276 ARG cc_start: 0.6878 (tpm170) cc_final: 0.6267 (tpm170) REVERT: L 293 MET cc_start: 0.7484 (mtp) cc_final: 0.6964 (mtp) REVERT: L 295 ASP cc_start: 0.8191 (t0) cc_final: 0.6950 (p0) REVERT: L 299 MET cc_start: 0.7458 (ppp) cc_final: 0.6983 (ppp) REVERT: L 300 MET cc_start: 0.7444 (mtm) cc_final: 0.6790 (mtm) REVERT: L 321 MET cc_start: 0.7812 (ppp) cc_final: 0.7017 (ppp) REVERT: L 324 LYS cc_start: 0.8166 (ttpt) cc_final: 0.7829 (ttpp) REVERT: L 325 GLU cc_start: 0.8114 (mt-10) cc_final: 0.7558 (mt-10) REVERT: L 327 ASP cc_start: 0.7738 (m-30) cc_final: 0.6798 (m-30) REVERT: L 330 MET cc_start: 0.6782 (ppp) cc_final: 0.6486 (ppp) REVERT: L 331 LEU cc_start: 0.7895 (tp) cc_final: 0.7625 (tp) REVERT: L 335 ASN cc_start: 0.7478 (m110) cc_final: 0.7017 (m110) REVERT: L 347 ASN cc_start: 0.7722 (t0) cc_final: 0.7124 (t0) REVERT: L 350 LYS cc_start: 0.8288 (tptp) cc_final: 0.7902 (tptp) REVERT: L 353 VAL cc_start: 0.8176 (p) cc_final: 0.7774 (m) REVERT: L 355 ASP cc_start: 0.7729 (m-30) cc_final: 0.6941 (m-30) REVERT: L 362 LYS cc_start: 0.7680 (mmmt) cc_final: 0.7356 (mmmm) REVERT: L 375 GLN cc_start: 0.8520 (pt0) cc_final: 0.7776 (pt0) REVERT: L 380 ARG cc_start: 0.7277 (tmt170) cc_final: 0.6373 (tmt170) REVERT: L 408 PHE cc_start: 0.8079 (m-80) cc_final: 0.7483 (m-80) REVERT: L 414 ASN cc_start: 0.8048 (m-40) cc_final: 0.7513 (m-40) REVERT: L 416 ASN cc_start: 0.7624 (m110) cc_final: 0.7343 (m110) REVERT: L 421 GLU cc_start: 0.8128 (tt0) cc_final: 0.7274 (tt0) REVERT: L 422 TYR cc_start: 0.8093 (m-80) cc_final: 0.7536 (m-80) REVERT: U 32 LYS cc_start: 0.6808 (tttt) cc_final: 0.6526 (tttt) REVERT: U 44 LYS cc_start: 0.6515 (pttm) cc_final: 0.5946 (pttm) REVERT: U 46 TYR cc_start: 0.6587 (m-80) cc_final: 0.5922 (m-80) REVERT: U 59 GLU cc_start: 0.5112 (tp30) cc_final: 0.4874 (tp30) REVERT: U 105 MET cc_start: 0.5823 (ptt) cc_final: 0.5333 (ptt) REVERT: U 116 PHE cc_start: 0.6036 (m-10) cc_final: 0.5770 (m-10) REVERT: U 250 GLU cc_start: 0.6959 (mm-30) cc_final: 0.6622 (mm-30) REVERT: U 256 LYS cc_start: 0.7542 (mmmt) cc_final: 0.7125 (mmmm) REVERT: U 323 LYS cc_start: 0.7097 (tptm) cc_final: 0.6646 (tptm) REVERT: D 21 TRP cc_start: 0.8420 (m100) cc_final: 0.8139 (m100) REVERT: D 22 GLU cc_start: 0.7854 (pt0) cc_final: 0.7241 (pt0) REVERT: D 70 ARG cc_start: 0.7749 (mtt-85) cc_final: 0.7494 (mtt-85) REVERT: D 93 PHE cc_start: 0.6920 (m-80) cc_final: 0.6549 (m-80) REVERT: D 102 LYS cc_start: 0.7597 (tptp) cc_final: 0.6565 (tptp) REVERT: D 108 ASN cc_start: 0.7038 (t0) cc_final: 0.6522 (t0) REVERT: D 118 LYS cc_start: 0.8608 (mmtt) cc_final: 0.7928 (mmtt) REVERT: D 122 ASP cc_start: 0.7418 (p0) cc_final: 0.7191 (p0) REVERT: D 129 ARG cc_start: 0.6613 (tpt90) cc_final: 0.6358 (tpt170) REVERT: D 158 LEU cc_start: 0.8322 (tp) cc_final: 0.7964 (tp) REVERT: D 172 LYS cc_start: 0.6942 (mtmm) cc_final: 0.6337 (mtmm) REVERT: D 174 GLU cc_start: 0.6692 (mp0) cc_final: 0.5643 (mp0) REVERT: D 182 GLN cc_start: 0.7163 (pm20) cc_final: 0.6562 (pm20) REVERT: D 198 HIS cc_start: 0.8646 (t-90) cc_final: 0.8285 (t-90) REVERT: D 201 LEU cc_start: 0.7692 (tt) cc_final: 0.6910 (tt) REVERT: D 202 GLU cc_start: 0.7179 (pm20) cc_final: 0.6714 (pm20) REVERT: D 222 ASN cc_start: 0.8575 (m-40) cc_final: 0.8284 (m-40) REVERT: D 232 ASN cc_start: 0.8745 (m-40) cc_final: 0.8351 (m-40) REVERT: D 265 LEU cc_start: 0.7559 (mp) cc_final: 0.7008 (mm) REVERT: D 270 ARG cc_start: 0.6861 (mmm-85) cc_final: 0.6518 (tpp80) REVERT: D 272 HIS cc_start: 0.6948 (p90) cc_final: 0.6045 (p90) REVERT: D 286 LYS cc_start: 0.8240 (mtpp) cc_final: 0.7869 (ttmt) REVERT: D 308 MET cc_start: 0.7636 (mmm) cc_final: 0.7198 (mtp) REVERT: D 319 MET cc_start: 0.6088 (mmm) cc_final: 0.5543 (mmm) REVERT: D 338 ILE cc_start: 0.8700 (pt) cc_final: 0.8468 (pt) REVERT: D 344 LYS cc_start: 0.8295 (ttpt) cc_final: 0.7818 (ttpt) REVERT: D 348 GLN cc_start: 0.7472 (pp30) cc_final: 0.6263 (pm20) REVERT: D 363 TYR cc_start: 0.6680 (m-80) cc_final: 0.6252 (m-80) REVERT: D 383 MET cc_start: 0.7489 (tpt) cc_final: 0.7260 (tpt) REVERT: D 384 LEU cc_start: 0.8066 (mm) cc_final: 0.7613 (mm) REVERT: D 396 ARG cc_start: 0.8712 (ptt90) cc_final: 0.8421 (ptt90) REVERT: D 400 LYS cc_start: 0.7656 (ptpt) cc_final: 0.7370 (ptmt) REVERT: D 401 PHE cc_start: 0.7555 (t80) cc_final: 0.7126 (t80) REVERT: D 407 LYS cc_start: 0.8651 (mmmt) cc_final: 0.8439 (mmmt) REVERT: D 410 PHE cc_start: 0.8800 (m-80) cc_final: 0.8194 (m-80) REVERT: D 440 GLU cc_start: 0.8096 (tt0) cc_final: 0.7737 (tt0) REVERT: M 11 GLN cc_start: 0.6845 (mp10) cc_final: 0.6552 (mp10) REVERT: M 14 ASN cc_start: 0.8381 (m110) cc_final: 0.7866 (m110) REVERT: M 22 GLU cc_start: 0.8217 (mt-10) cc_final: 0.7559 (mt-10) REVERT: M 26 ASP cc_start: 0.7436 (m-30) cc_final: 0.7120 (m-30) REVERT: M 59 TYR cc_start: 0.8062 (m-80) cc_final: 0.7801 (m-80) REVERT: M 62 ARG cc_start: 0.8187 (ptp-110) cc_final: 0.7674 (ptp-110) REVERT: M 73 MET cc_start: 0.8226 (mmt) cc_final: 0.7259 (mmt) REVERT: M 121 ARG cc_start: 0.8221 (ttm110) cc_final: 0.7973 (ttm-80) REVERT: M 122 LYS cc_start: 0.8161 (ptmm) cc_final: 0.7938 (ptmm) REVERT: M 123 GLU cc_start: 0.7914 (mm-30) cc_final: 0.7548 (mm-30) REVERT: M 133 PHE cc_start: 0.6625 (m-80) cc_final: 0.5288 (m-80) REVERT: M 147 MET cc_start: 0.5789 (tmm) cc_final: 0.5095 (tmm) REVERT: M 158 GLU cc_start: 0.8161 (tt0) cc_final: 0.6014 (tt0) REVERT: M 159 TYR cc_start: 0.8001 (m-10) cc_final: 0.7384 (m-10) REVERT: M 181 GLU cc_start: 0.8270 (pt0) cc_final: 0.7529 (pt0) REVERT: M 224 ASP cc_start: 0.7401 (m-30) cc_final: 0.7081 (m-30) REVERT: M 240 LEU cc_start: 0.7974 (pt) cc_final: 0.7764 (pp) REVERT: M 267 MET cc_start: 0.7972 (mtt) cc_final: 0.7221 (mtt) REVERT: M 270 PHE cc_start: 0.7230 (t80) cc_final: 0.6907 (t80) REVERT: M 290 THR cc_start: 0.8174 (m) cc_final: 0.7692 (p) REVERT: M 300 MET cc_start: 0.7402 (mtt) cc_final: 0.6858 (mmm) REVERT: M 321 MET cc_start: 0.7606 (ptp) cc_final: 0.6850 (ptp) REVERT: M 327 ASP cc_start: 0.7402 (m-30) cc_final: 0.6737 (m-30) REVERT: M 330 MET cc_start: 0.7412 (ppp) cc_final: 0.7038 (ppp) REVERT: M 337 ASN cc_start: 0.7354 (m-40) cc_final: 0.6943 (m-40) REVERT: M 340 TYR cc_start: 0.7170 (m-80) cc_final: 0.6677 (m-80) REVERT: M 344 TRP cc_start: 0.7166 (p-90) cc_final: 0.6819 (p-90) REVERT: M 353 VAL cc_start: 0.8162 (m) cc_final: 0.7718 (p) REVERT: M 383 GLU cc_start: 0.7624 (pp20) cc_final: 0.7209 (pp20) REVERT: M 384 GLN cc_start: 0.8284 (mt0) cc_final: 0.7830 (mt0) REVERT: M 388 MET cc_start: 0.8078 (mtp) cc_final: 0.7612 (mtp) REVERT: M 389 PHE cc_start: 0.8390 (t80) cc_final: 0.8179 (t80) REVERT: M 397 TRP cc_start: 0.7933 (m100) cc_final: 0.7563 (m100) REVERT: M 404 ASP cc_start: 0.8107 (t0) cc_final: 0.7895 (t70) REVERT: M 415 MET cc_start: 0.8018 (mmm) cc_final: 0.7227 (mmm) REVERT: M 421 GLU cc_start: 0.7422 (tt0) cc_final: 0.6654 (tt0) REVERT: M 424 GLN cc_start: 0.6279 (tp40) cc_final: 0.5994 (tp40) REVERT: V 12 MET cc_start: 0.6849 (mpp) cc_final: 0.6239 (mpp) REVERT: V 19 ASN cc_start: 0.6733 (m-40) cc_final: 0.6389 (m-40) REVERT: V 32 LYS cc_start: 0.7505 (tttt) cc_final: 0.7215 (tptt) REVERT: V 33 PHE cc_start: 0.6550 (m-80) cc_final: 0.5969 (m-80) REVERT: V 87 THR cc_start: 0.6066 (p) cc_final: 0.5687 (p) REVERT: V 197 MET cc_start: 0.7073 (tpt) cc_final: 0.6175 (tpt) REVERT: V 198 ASN cc_start: 0.6039 (t0) cc_final: 0.5540 (t0) REVERT: V 256 LYS cc_start: 0.8103 (mmmt) cc_final: 0.7336 (mmmt) REVERT: V 313 LYS cc_start: 0.8383 (mtmt) cc_final: 0.8054 (mtmt) REVERT: E 22 GLU cc_start: 0.7630 (pt0) cc_final: 0.7303 (pt0) REVERT: E 36 MET cc_start: 0.7981 (ttm) cc_final: 0.7765 (ttm) REVERT: E 57 THR cc_start: 0.8586 (t) cc_final: 0.8088 (m) REVERT: E 70 ARG cc_start: 0.6960 (mtt90) cc_final: 0.6535 (mtt90) REVERT: E 76 LEU cc_start: 0.7375 (mt) cc_final: 0.7132 (mt) REVERT: E 93 PHE cc_start: 0.6692 (m-80) cc_final: 0.6448 (m-10) REVERT: E 96 GLU cc_start: 0.7612 (tt0) cc_final: 0.6975 (pt0) REVERT: E 127 ARG cc_start: 0.7201 (mmm-85) cc_final: 0.6348 (mmm-85) REVERT: E 129 ARG cc_start: 0.8051 (ttm-80) cc_final: 0.7569 (ttp-110) REVERT: E 141 PHE cc_start: 0.7234 (m-80) cc_final: 0.6785 (m-10) REVERT: E 172 LYS cc_start: 0.7967 (mtmm) cc_final: 0.7595 (mtmm) REVERT: E 215 ILE cc_start: 0.8789 (pt) cc_final: 0.8129 (pt) REVERT: E 220 ARG cc_start: 0.7139 (tpp80) cc_final: 0.6788 (tpp80) REVERT: E 225 ILE cc_start: 0.6466 (mm) cc_final: 0.6008 (tp) REVERT: E 248 LEU cc_start: 0.8695 (mt) cc_final: 0.8327 (mm) REVERT: E 254 LEU cc_start: 0.7984 (tt) cc_final: 0.7652 (tt) REVERT: E 255 ASN cc_start: 0.6675 (m110) cc_final: 0.6388 (m-40) REVERT: E 286 LYS cc_start: 0.8466 (mttp) cc_final: 0.8171 (mtpt) REVERT: E 288 TYR cc_start: 0.7559 (m-80) cc_final: 0.7094 (m-80) REVERT: E 306 ASN cc_start: 0.7843 (t0) cc_final: 0.6812 (t0) REVERT: E 308 MET cc_start: 0.8288 (mmm) cc_final: 0.7372 (mmm) REVERT: E 319 MET cc_start: 0.6530 (mmm) cc_final: 0.5818 (mmm) REVERT: E 342 LYS cc_start: 0.8856 (mtpp) cc_final: 0.8507 (mtmm) REVERT: E 358 LYS cc_start: 0.7282 (tptp) cc_final: 0.6977 (tppt) REVERT: E 378 GLN cc_start: 0.8033 (mm110) cc_final: 0.7718 (mm110) REVERT: E 382 CYS cc_start: 0.7501 (t) cc_final: 0.7211 (t) REVERT: E 383 MET cc_start: 0.6588 (tpt) cc_final: 0.6155 (tpt) REVERT: E 384 LEU cc_start: 0.7180 (mm) cc_final: 0.6924 (mm) REVERT: E 396 ARG cc_start: 0.7843 (ppt170) cc_final: 0.7450 (ttp80) REVERT: E 400 LYS cc_start: 0.8123 (pttm) cc_final: 0.7856 (ptpp) REVERT: E 401 PHE cc_start: 0.8290 (t80) cc_final: 0.7798 (t80) REVERT: E 431 MET cc_start: 0.8165 (tpp) cc_final: 0.7530 (ptt) REVERT: E 439 GLU cc_start: 0.7904 (pt0) cc_final: 0.7704 (pt0) REVERT: N 2 ARG cc_start: 0.7943 (mtm180) cc_final: 0.7701 (mtm110) REVERT: N 20 PHE cc_start: 0.8414 (t80) cc_final: 0.8189 (t80) REVERT: N 58 LYS cc_start: 0.7385 (tttt) cc_final: 0.7172 (tttt) REVERT: N 73 MET cc_start: 0.8351 (mmt) cc_final: 0.8015 (mmt) REVERT: N 83 GLN cc_start: 0.7593 (mm-40) cc_final: 0.6821 (mm-40) REVERT: N 94 GLN cc_start: 0.6977 (tm-30) cc_final: 0.6688 (tm-30) REVERT: N 106 TYR cc_start: 0.8117 (m-80) cc_final: 0.7598 (m-10) REVERT: N 111 GLU cc_start: 0.6564 (pp20) cc_final: 0.6319 (pp20) REVERT: N 131 GLN cc_start: 0.6544 (tp40) cc_final: 0.5878 (tp40) REVERT: N 158 GLU cc_start: 0.8112 (tt0) cc_final: 0.7778 (tt0) REVERT: N 159 TYR cc_start: 0.8519 (m-80) cc_final: 0.7776 (m-10) REVERT: N 164 MET cc_start: 0.6953 (mmp) cc_final: 0.5897 (mmp) REVERT: N 170 MET cc_start: 0.7604 (ptm) cc_final: 0.7365 (pmm) REVERT: N 180 VAL cc_start: 0.7902 (t) cc_final: 0.7522 (p) REVERT: N 181 GLU cc_start: 0.7829 (pt0) cc_final: 0.7462 (pt0) REVERT: N 189 VAL cc_start: 0.8503 (m) cc_final: 0.8156 (m) REVERT: N 192 LEU cc_start: 0.8433 (mt) cc_final: 0.8195 (mm) REVERT: N 197 ASP cc_start: 0.6622 (m-30) cc_final: 0.6260 (m-30) REVERT: N 199 THR cc_start: 0.7421 (m) cc_final: 0.6962 (p) REVERT: N 200 TYR cc_start: 0.7858 (m-80) cc_final: 0.6355 (m-80) REVERT: N 215 LEU cc_start: 0.7506 (tp) cc_final: 0.7305 (tp) REVERT: N 257 MET cc_start: 0.7055 (mmm) cc_final: 0.6340 (mmm) REVERT: N 261 PRO cc_start: 0.8267 (Cg_exo) cc_final: 0.7625 (Cg_endo) REVERT: N 264 HIS cc_start: 0.7748 (p-80) cc_final: 0.6903 (p-80) REVERT: N 265 PHE cc_start: 0.8526 (m-80) cc_final: 0.7726 (m-80) REVERT: N 267 MET cc_start: 0.7744 (mtt) cc_final: 0.7508 (mtt) REVERT: N 270 PHE cc_start: 0.7181 (t80) cc_final: 0.6840 (t80) REVERT: N 276 ARG cc_start: 0.7402 (tpm170) cc_final: 0.6349 (tpm170) REVERT: N 280 GLN cc_start: 0.8088 (mp10) cc_final: 0.7586 (mp10) REVERT: N 282 ARG cc_start: 0.7003 (ttt180) cc_final: 0.6795 (mmm-85) REVERT: N 290 THR cc_start: 0.8413 (m) cc_final: 0.8029 (p) REVERT: N 292 GLN cc_start: 0.7121 (tm-30) cc_final: 0.6897 (tm-30) REVERT: N 293 MET cc_start: 0.7788 (mtp) cc_final: 0.7382 (mtp) REVERT: N 295 ASP cc_start: 0.8082 (t70) cc_final: 0.7701 (t70) REVERT: N 300 MET cc_start: 0.7704 (mtt) cc_final: 0.6712 (mtt) REVERT: N 340 TYR cc_start: 0.6753 (m-80) cc_final: 0.6152 (m-10) REVERT: N 350 LYS cc_start: 0.8369 (tmtt) cc_final: 0.7969 (tmtt) REVERT: N 375 GLN cc_start: 0.8505 (pp30) cc_final: 0.7874 (pp30) REVERT: N 379 LYS cc_start: 0.8464 (ptpt) cc_final: 0.8086 (ptpt) REVERT: N 384 GLN cc_start: 0.8312 (mt0) cc_final: 0.7702 (mt0) REVERT: N 385 PHE cc_start: 0.7608 (t80) cc_final: 0.7215 (t80) REVERT: N 388 MET cc_start: 0.7439 (mtp) cc_final: 0.6899 (mtp) REVERT: N 392 LYS cc_start: 0.7848 (mtmm) cc_final: 0.7421 (mtmm) REVERT: N 404 ASP cc_start: 0.7619 (t70) cc_final: 0.7185 (t70) REVERT: N 406 MET cc_start: 0.8159 (mmp) cc_final: 0.7855 (mmp) REVERT: N 415 MET cc_start: 0.8241 (mmm) cc_final: 0.7840 (mmm) REVERT: W 19 ASN cc_start: 0.6171 (m-40) cc_final: 0.5956 (m-40) REVERT: W 62 TYR cc_start: 0.3796 (t80) cc_final: 0.3379 (t80) REVERT: W 92 THR cc_start: 0.6875 (m) cc_final: 0.6609 (p) REVERT: W 95 MET cc_start: 0.6698 (mpp) cc_final: 0.6295 (mpp) REVERT: W 134 TYR cc_start: 0.5620 (t80) cc_final: 0.5229 (t80) REVERT: W 198 ASN cc_start: 0.4817 (t0) cc_final: 0.4413 (t0) REVERT: W 228 TYR cc_start: 0.6391 (m-80) cc_final: 0.5336 (m-80) REVERT: W 256 LYS cc_start: 0.8481 (mmmt) cc_final: 0.8179 (mmmt) REVERT: W 309 GLU cc_start: 0.6659 (mt-10) cc_final: 0.6372 (mt-10) REVERT: W 313 LYS cc_start: 0.8762 (mtmt) cc_final: 0.8503 (mtmt) REVERT: F 11 GLN cc_start: 0.6215 (tp-100) cc_final: 0.5780 (tp-100) REVERT: F 24 TYR cc_start: 0.8307 (m-80) cc_final: 0.7852 (m-80) REVERT: F 31 GLN cc_start: 0.7451 (mt0) cc_final: 0.7156 (mt0) REVERT: F 36 MET cc_start: 0.7013 (tmm) cc_final: 0.6341 (tmm) REVERT: F 83 GLU cc_start: 0.6825 (pm20) cc_final: 0.6263 (pm20) REVERT: F 108 ASN cc_start: 0.6380 (t0) cc_final: 0.6025 (t0) REVERT: F 114 TYR cc_start: 0.7746 (m-80) cc_final: 0.7503 (m-80) REVERT: F 119 GLU cc_start: 0.7830 (pp20) cc_final: 0.7395 (pp20) REVERT: F 155 PHE cc_start: 0.7867 (t80) cc_final: 0.7149 (t80) REVERT: F 169 LYS cc_start: 0.7492 (ptmm) cc_final: 0.7196 (ptmm) REVERT: F 192 ASN cc_start: 0.8251 (m-40) cc_final: 0.7694 (m-40) REVERT: F 220 ARG cc_start: 0.7636 (mmm-85) cc_final: 0.7403 (mmm-85) REVERT: F 227 ARG cc_start: 0.7692 (mtm-85) cc_final: 0.7347 (mtm-85) REVERT: F 232 ASN cc_start: 0.7766 (m-40) cc_final: 0.7477 (p0) REVERT: F 235 ARG cc_start: 0.7261 (mtt-85) cc_final: 0.6491 (mmm160) REVERT: F 254 LEU cc_start: 0.7493 (tt) cc_final: 0.7153 (tp) REVERT: F 255 ASN cc_start: 0.6485 (m-40) cc_final: 0.6195 (m110) REVERT: F 260 GLU cc_start: 0.7773 (mp0) cc_final: 0.7420 (mp0) REVERT: F 265 LEU cc_start: 0.7321 (mt) cc_final: 0.6798 (mp) REVERT: F 319 MET cc_start: 0.6613 (mmm) cc_final: 0.5787 (mmm) REVERT: F 341 ILE cc_start: 0.8923 (mm) cc_final: 0.8692 (mm) REVERT: F 348 GLN cc_start: 0.7423 (tt0) cc_final: 0.7103 (tm-30) REVERT: F 358 LYS cc_start: 0.7282 (tmtt) cc_final: 0.6510 (tmtt) REVERT: F 363 TYR cc_start: 0.7359 (m-10) cc_final: 0.7134 (m-80) REVERT: F 376 LYS cc_start: 0.7724 (tmtt) cc_final: 0.7407 (tmtt) REVERT: F 379 ARG cc_start: 0.7782 (ptp90) cc_final: 0.6754 (ptp90) REVERT: F 382 CYS cc_start: 0.8043 (t) cc_final: 0.7596 (t) REVERT: F 383 MET cc_start: 0.7696 (tpt) cc_final: 0.7242 (tpt) REVERT: F 401 PHE cc_start: 0.7363 (t80) cc_final: 0.6977 (t80) REVERT: F 407 LYS cc_start: 0.8250 (tppp) cc_final: 0.7997 (tppp) REVERT: F 410 PHE cc_start: 0.8474 (m-80) cc_final: 0.8176 (m-80) REVERT: F 426 GLU cc_start: 0.7176 (tp30) cc_final: 0.6497 (tp30) REVERT: F 430 ASP cc_start: 0.7673 (t0) cc_final: 0.6972 (t0) REVERT: F 434 LEU cc_start: 0.7607 (mt) cc_final: 0.7220 (mm) REVERT: O 22 GLU cc_start: 0.8246 (mt-10) cc_final: 0.7461 (mt-10) REVERT: O 46 ARG cc_start: 0.8464 (mmm-85) cc_final: 0.8080 (mmm-85) REVERT: O 53 GLU cc_start: 0.7499 (tp30) cc_final: 0.6872 (tp30) REVERT: O 62 ARG cc_start: 0.7573 (ptp-110) cc_final: 0.6902 (ptp-110) REVERT: O 74 ASP cc_start: 0.7337 (m-30) cc_final: 0.7105 (m-30) REVERT: O 117 LEU cc_start: 0.7791 (mm) cc_final: 0.7130 (tp) REVERT: O 121 ARG cc_start: 0.7430 (mtt180) cc_final: 0.6808 (mtt-85) REVERT: O 123 GLU cc_start: 0.7598 (tp30) cc_final: 0.7120 (tp30) REVERT: O 147 MET cc_start: 0.6494 (tmm) cc_final: 0.6032 (tmm) REVERT: O 151 LEU cc_start: 0.7583 (pp) cc_final: 0.7221 (pp) REVERT: O 157 GLU cc_start: 0.7986 (pt0) cc_final: 0.7663 (pt0) REVERT: O 158 GLU cc_start: 0.8011 (tt0) cc_final: 0.7412 (tt0) REVERT: O 164 MET cc_start: 0.7640 (mmm) cc_final: 0.7383 (mmm) REVERT: O 165 ASN cc_start: 0.7250 (m-40) cc_final: 0.7021 (m-40) REVERT: O 179 VAL cc_start: 0.8542 (m) cc_final: 0.8209 (p) REVERT: O 184 ASN cc_start: 0.7601 (m-40) cc_final: 0.7243 (m-40) REVERT: O 191 GLN cc_start: 0.8411 (mp10) cc_final: 0.8174 (mp10) REVERT: O 193 VAL cc_start: 0.8899 (p) cc_final: 0.8677 (p) REVERT: O 194 GLU cc_start: 0.7586 (mt-10) cc_final: 0.7189 (mt-10) REVERT: O 201 SER cc_start: 0.8120 (m) cc_final: 0.7850 (t) REVERT: O 232 THR cc_start: 0.7940 (p) cc_final: 0.7372 (m) REVERT: O 262 ARG cc_start: 0.8155 (mtt-85) cc_final: 0.7489 (mtm-85) REVERT: O 267 MET cc_start: 0.7672 (ttm) cc_final: 0.6930 (ttm) REVERT: O 270 PHE cc_start: 0.7213 (t80) cc_final: 0.6975 (t80) REVERT: O 276 ARG cc_start: 0.7269 (tpm170) cc_final: 0.6189 (tpm170) REVERT: O 280 GLN cc_start: 0.7873 (pp30) cc_final: 0.7451 (pp30) REVERT: O 289 LEU cc_start: 0.8379 (pp) cc_final: 0.8105 (pp) REVERT: O 290 THR cc_start: 0.8259 (m) cc_final: 0.7788 (p) REVERT: O 291 GLN cc_start: 0.7903 (pp30) cc_final: 0.7676 (pp30) REVERT: O 292 GLN cc_start: 0.7988 (tt0) cc_final: 0.7708 (tt0) REVERT: O 293 MET cc_start: 0.7598 (mtp) cc_final: 0.6744 (mtp) REVERT: O 295 ASP cc_start: 0.8104 (t70) cc_final: 0.7800 (t70) REVERT: O 300 MET cc_start: 0.6996 (mtt) cc_final: 0.6492 (mpp) REVERT: O 312 THR cc_start: 0.7127 (t) cc_final: 0.6370 (t) REVERT: O 321 MET cc_start: 0.7435 (pmm) cc_final: 0.6827 (pmm) REVERT: O 324 LYS cc_start: 0.7939 (ttpt) cc_final: 0.7699 (ttpt) REVERT: O 327 ASP cc_start: 0.7873 (m-30) cc_final: 0.6916 (m-30) REVERT: O 329 GLN cc_start: 0.8300 (mm-40) cc_final: 0.8052 (mt0) REVERT: O 330 MET cc_start: 0.7489 (ppp) cc_final: 0.6839 (ppp) REVERT: O 331 LEU cc_start: 0.7954 (tp) cc_final: 0.7492 (tp) REVERT: O 374 ILE cc_start: 0.7785 (tp) cc_final: 0.7506 (tp) REVERT: O 406 MET cc_start: 0.6564 (mpp) cc_final: 0.6062 (tpp) REVERT: O 408 PHE cc_start: 0.7641 (m-80) cc_final: 0.6658 (m-80) REVERT: O 415 MET cc_start: 0.7859 (mmm) cc_final: 0.7336 (mmm) REVERT: O 416 ASN cc_start: 0.7322 (m110) cc_final: 0.7045 (m110) REVERT: O 421 GLU cc_start: 0.7399 (tt0) cc_final: 0.6745 (tt0) REVERT: O 422 TYR cc_start: 0.7985 (m-80) cc_final: 0.7631 (m-80) REVERT: X 12 MET cc_start: 0.4948 (mtm) cc_final: 0.4382 (mtm) REVERT: X 19 ASN cc_start: 0.6440 (m-40) cc_final: 0.5136 (m-40) REVERT: X 22 GLU cc_start: 0.6494 (mt-10) cc_final: 0.6006 (mt-10) REVERT: X 48 PHE cc_start: 0.4894 (m-80) cc_final: 0.4646 (m-80) REVERT: X 105 MET cc_start: 0.5484 (ptt) cc_final: 0.5197 (mtt) REVERT: X 116 PHE cc_start: 0.5744 (m-10) cc_final: 0.5449 (m-10) REVERT: X 180 MET cc_start: 0.6179 (mmt) cc_final: 0.5933 (mmt) REVERT: X 197 MET cc_start: 0.6142 (tpt) cc_final: 0.5185 (tpt) REVERT: X 250 GLU cc_start: 0.6890 (mm-30) cc_final: 0.6439 (mm-30) REVERT: X 255 ASN cc_start: 0.7472 (m-40) cc_final: 0.7139 (t0) REVERT: X 313 LYS cc_start: 0.7161 (mtmt) cc_final: 0.6903 (mtmt) REVERT: X 323 LYS cc_start: 0.6346 (tptm) cc_final: 0.6105 (tptm) REVERT: G 23 LEU cc_start: 0.8009 (tt) cc_final: 0.7496 (tp) REVERT: G 56 ASN cc_start: 0.6764 (t0) cc_final: 0.6535 (t0) REVERT: G 89 TYR cc_start: 0.5322 (m-80) cc_final: 0.4899 (m-80) REVERT: G 90 ARG cc_start: 0.6726 (mtm-85) cc_final: 0.6248 (mtm-85) REVERT: G 102 LYS cc_start: 0.7361 (tptp) cc_final: 0.6758 (tptp) REVERT: G 118 LYS cc_start: 0.8596 (mmtt) cc_final: 0.7948 (mmtt) REVERT: G 119 GLU cc_start: 0.7492 (pp20) cc_final: 0.7204 (pp20) REVERT: G 127 ARG cc_start: 0.7857 (mmm160) cc_final: 0.7578 (mmm160) REVERT: G 138 LEU cc_start: 0.7092 (tp) cc_final: 0.6823 (tp) REVERT: G 142 LEU cc_start: 0.7469 (pt) cc_final: 0.7223 (pt) REVERT: G 153 SER cc_start: 0.7462 (p) cc_final: 0.7018 (p) REVERT: G 174 GLU cc_start: 0.5881 (mp0) cc_final: 0.5163 (mp0) REVERT: G 175 PHE cc_start: 0.7123 (m-10) cc_final: 0.6753 (m-10) REVERT: G 191 TYR cc_start: 0.6800 (m-80) cc_final: 0.6490 (m-80) REVERT: G 209 MET cc_start: 0.6844 (mpp) cc_final: 0.6231 (mpp) REVERT: G 215 ILE cc_start: 0.7980 (tt) cc_final: 0.7627 (tt) REVERT: G 237 ILE cc_start: 0.6933 (tp) cc_final: 0.6715 (tt) REVERT: G 240 ILE cc_start: 0.7032 (mt) cc_final: 0.6720 (mt) REVERT: G 265 LEU cc_start: 0.7438 (mt) cc_final: 0.7145 (mt) REVERT: G 267 PRO cc_start: 0.7707 (Cg_endo) cc_final: 0.7192 (Cg_exo) REVERT: G 278 TYR cc_start: 0.7342 (t80) cc_final: 0.7128 (t80) REVERT: G 283 SER cc_start: 0.8281 (m) cc_final: 0.7834 (p) REVERT: G 296 GLU cc_start: 0.7922 (pm20) cc_final: 0.7464 (pm20) REVERT: G 308 MET cc_start: 0.7756 (mmm) cc_final: 0.7439 (mtt) REVERT: G 311 CYS cc_start: 0.8038 (m) cc_final: 0.7810 (m) REVERT: G 319 MET cc_start: 0.5491 (mmm) cc_final: 0.5059 (mmm) REVERT: G 322 CYS cc_start: 0.6674 (p) cc_final: 0.6392 (p) REVERT: G 324 LEU cc_start: 0.7747 (pp) cc_final: 0.7527 (pp) REVERT: G 329 VAL cc_start: 0.8527 (t) cc_final: 0.8036 (p) REVERT: G 344 LYS cc_start: 0.8481 (ttpt) cc_final: 0.8115 (ttpt) REVERT: G 349 PHE cc_start: 0.8247 (m-10) cc_final: 0.7742 (m-10) REVERT: G 358 LYS cc_start: 0.7059 (tmtt) cc_final: 0.6519 (tmtt) REVERT: G 362 ASN cc_start: 0.7888 (t0) cc_final: 0.7495 (t0) REVERT: G 376 LYS cc_start: 0.7606 (tmtt) cc_final: 0.7381 (tmtt) REVERT: G 378 GLN cc_start: 0.8290 (mm110) cc_final: 0.7565 (mm-40) REVERT: G 401 PHE cc_start: 0.6967 (t80) cc_final: 0.6595 (t80) REVERT: G 407 LYS cc_start: 0.8350 (mmmt) cc_final: 0.7615 (mttm) REVERT: G 408 ARG cc_start: 0.8134 (mpt180) cc_final: 0.7810 (mpt180) REVERT: G 440 GLU cc_start: 0.8001 (tt0) cc_final: 0.7722 (tt0) REVERT: P 19 LYS cc_start: 0.8324 (mmmt) cc_final: 0.6732 (mmmt) REVERT: P 22 GLU cc_start: 0.7733 (mt-10) cc_final: 0.7329 (mt-10) REVERT: P 53 GLU cc_start: 0.6356 (tp30) cc_final: 0.5877 (tp30) REVERT: P 73 MET cc_start: 0.8462 (mmt) cc_final: 0.8028 (mmt) REVERT: P 74 ASP cc_start: 0.7627 (m-30) cc_final: 0.7362 (m-30) REVERT: P 86 ARG cc_start: 0.7720 (ttm-80) cc_final: 0.7456 (mtp-110) REVERT: P 103 LYS cc_start: 0.7474 (mttt) cc_final: 0.6710 (mmmm) REVERT: P 121 ARG cc_start: 0.7318 (mtt180) cc_final: 0.7025 (mtt90) REVERT: P 123 GLU cc_start: 0.8193 (mm-30) cc_final: 0.7799 (tp30) REVERT: P 147 MET cc_start: 0.5573 (tmm) cc_final: 0.5000 (tmm) REVERT: P 157 GLU cc_start: 0.8360 (pt0) cc_final: 0.8009 (pt0) REVERT: P 166 THR cc_start: 0.6927 (p) cc_final: 0.6498 (p) REVERT: P 181 GLU cc_start: 0.7663 (pt0) cc_final: 0.7385 (pt0) REVERT: P 196 THR cc_start: 0.6085 (p) cc_final: 0.5214 (t) REVERT: P 209 ASP cc_start: 0.6592 (t0) cc_final: 0.6285 (t0) REVERT: P 228 LEU cc_start: 0.8013 (mm) cc_final: 0.7521 (tt) REVERT: P 237 THR cc_start: 0.8160 (m) cc_final: 0.7534 (t) REVERT: P 257 MET cc_start: 0.6788 (mmm) cc_final: 0.6235 (mmm) REVERT: P 264 HIS cc_start: 0.7336 (p-80) cc_final: 0.6710 (p-80) REVERT: P 266 PHE cc_start: 0.7705 (m-10) cc_final: 0.7478 (m-10) REVERT: P 276 ARG cc_start: 0.7266 (tpm170) cc_final: 0.6502 (tpm170) REVERT: P 280 GLN cc_start: 0.8098 (mt0) cc_final: 0.7797 (mp10) REVERT: P 293 MET cc_start: 0.7667 (mtp) cc_final: 0.7073 (mtp) REVERT: P 295 ASP cc_start: 0.7759 (t70) cc_final: 0.7518 (t70) REVERT: P 309 ARG cc_start: 0.5208 (mtp180) cc_final: 0.4829 (mtp85) REVERT: P 335 ASN cc_start: 0.6925 (m110) cc_final: 0.6375 (m-40) REVERT: P 340 TYR cc_start: 0.7167 (m-80) cc_final: 0.6632 (m-80) REVERT: P 344 TRP cc_start: 0.7321 (p-90) cc_final: 0.7073 (p-90) REVERT: P 348 ASN cc_start: 0.7453 (m-40) cc_final: 0.7228 (m-40) REVERT: P 375 GLN cc_start: 0.7774 (pp30) cc_final: 0.7004 (pp30) REVERT: P 379 LYS cc_start: 0.8096 (ptpt) cc_final: 0.7763 (ptpt) REVERT: P 386 THR cc_start: 0.7981 (m) cc_final: 0.7660 (m) REVERT: P 395 LEU cc_start: 0.7358 (mt) cc_final: 0.7018 (mm) REVERT: P 404 ASP cc_start: 0.7725 (m-30) cc_final: 0.7389 (t70) REVERT: P 421 GLU cc_start: 0.7766 (tt0) cc_final: 0.6802 (tt0) REVERT: Z 12 MET cc_start: 0.5935 (mtm) cc_final: 0.5503 (mtm) REVERT: Z 19 ASN cc_start: 0.6579 (m110) cc_final: 0.6099 (m110) REVERT: Z 59 GLU cc_start: 0.7062 (tp30) cc_final: 0.6332 (tp30) REVERT: Z 105 MET cc_start: 0.4820 (ptt) cc_final: 0.4450 (ptt) REVERT: Z 197 MET cc_start: 0.6475 (tpt) cc_final: 0.6221 (tpt) REVERT: Z 229 LEU cc_start: 0.5847 (mt) cc_final: 0.5614 (mt) REVERT: Z 282 MET cc_start: 0.7261 (tpt) cc_final: 0.6913 (tpt) REVERT: Z 286 LEU cc_start: 0.7268 (mm) cc_final: 0.6808 (mm) REVERT: Z 313 LYS cc_start: 0.8238 (mtmt) cc_final: 0.8010 (mtmt) REVERT: Z 320 GLN cc_start: 0.6598 (mt0) cc_final: 0.6209 (mm-40) REVERT: H 11 GLN cc_start: 0.5323 (tp40) cc_final: 0.4866 (tm-30) REVERT: H 21 TRP cc_start: 0.7937 (m100) cc_final: 0.7310 (m100) REVERT: H 24 TYR cc_start: 0.7542 (m-80) cc_final: 0.7113 (m-80) REVERT: H 90 ARG cc_start: 0.6664 (mtm-85) cc_final: 0.6301 (mtm-85) REVERT: H 96 GLU cc_start: 0.7322 (tt0) cc_final: 0.6888 (pt0) REVERT: H 107 ASN cc_start: 0.7233 (m-40) cc_final: 0.6982 (m-40) REVERT: H 119 GLU cc_start: 0.6971 (pp20) cc_final: 0.6721 (pp20) REVERT: H 139 GLN cc_start: 0.7678 (mm-40) cc_final: 0.7354 (mp10) REVERT: H 155 PHE cc_start: 0.8110 (t80) cc_final: 0.7621 (t80) REVERT: H 174 GLU cc_start: 0.5993 (mp0) cc_final: 0.5446 (mp0) REVERT: H 175 PHE cc_start: 0.7470 (m-80) cc_final: 0.7023 (m-10) REVERT: H 195 LEU cc_start: 0.8045 (mt) cc_final: 0.7545 (tt) REVERT: H 209 MET cc_start: 0.7496 (mpp) cc_final: 0.7257 (mpp) REVERT: H 239 GLN cc_start: 0.7473 (mm110) cc_final: 0.6916 (tp40) REVERT: H 255 ASN cc_start: 0.6558 (m110) cc_final: 0.6315 (m110) REVERT: H 286 LYS cc_start: 0.8646 (mtpt) cc_final: 0.8210 (mtpt) REVERT: H 289 HIS cc_start: 0.6831 (t-170) cc_final: 0.6214 (t-170) REVERT: H 290 GLU cc_start: 0.8026 (tp30) cc_final: 0.6737 (mm-30) REVERT: H 293 THR cc_start: 0.7449 (t) cc_final: 0.7088 (p) REVERT: H 312 ASP cc_start: 0.7580 (t0) cc_final: 0.7328 (t70) REVERT: H 319 MET cc_start: 0.6149 (mmm) cc_final: 0.5408 (mmm) REVERT: H 322 CYS cc_start: 0.5900 (p) cc_final: 0.5548 (p) REVERT: H 348 GLN cc_start: 0.6612 (mp10) cc_final: 0.6388 (mp-120) REVERT: H 358 LYS cc_start: 0.7640 (tptt) cc_final: 0.7299 (tptt) REVERT: H 378 GLN cc_start: 0.7518 (mp10) cc_final: 0.7315 (mp10) REVERT: H 383 MET cc_start: 0.6570 (tpt) cc_final: 0.5900 (tpt) REVERT: H 385 SER cc_start: 0.7394 (m) cc_final: 0.7181 (m) REVERT: H 396 ARG cc_start: 0.7777 (tmm160) cc_final: 0.7389 (ptt90) REVERT: H 404 MET cc_start: 0.7529 (mpp) cc_final: 0.7187 (mpp) REVERT: H 407 LYS cc_start: 0.7474 (mmmt) cc_final: 0.7169 (mttm) REVERT: H 423 GLU cc_start: 0.7930 (pt0) cc_final: 0.7154 (pm20) REVERT: H 430 ASP cc_start: 0.7915 (t0) cc_final: 0.7668 (t0) REVERT: R 2 ARG cc_start: 0.7960 (mtm110) cc_final: 0.7323 (mtm110) REVERT: R 15 GLN cc_start: 0.8288 (mm110) cc_final: 0.8072 (mm-40) REVERT: R 20 PHE cc_start: 0.8564 (t80) cc_final: 0.8175 (t80) REVERT: R 58 LYS cc_start: 0.7669 (tttt) cc_final: 0.7120 (tttt) REVERT: R 103 LYS cc_start: 0.8096 (mmmm) cc_final: 0.7588 (mmmm) REVERT: R 108 GLU cc_start: 0.6574 (mp0) cc_final: 0.5986 (mp0) REVERT: R 128 ASP cc_start: 0.7712 (t0) cc_final: 0.7318 (t0) REVERT: R 129 CYS cc_start: 0.8255 (t) cc_final: 0.7975 (t) REVERT: R 147 MET cc_start: 0.6261 (tmm) cc_final: 0.5992 (tmm) REVERT: R 182 PRO cc_start: 0.7564 (Cg_exo) cc_final: 0.6969 (Cg_endo) REVERT: R 184 ASN cc_start: 0.7616 (m-40) cc_final: 0.7134 (m-40) REVERT: R 192 LEU cc_start: 0.8923 (mm) cc_final: 0.8209 (mt) REVERT: R 199 THR cc_start: 0.7426 (m) cc_final: 0.6331 (p) REVERT: R 200 TYR cc_start: 0.7340 (m-80) cc_final: 0.5957 (m-80) REVERT: R 232 THR cc_start: 0.8448 (p) cc_final: 0.8089 (t) REVERT: R 233 MET cc_start: 0.7907 (mtp) cc_final: 0.7285 (mtp) REVERT: R 251 ARG cc_start: 0.7820 (mtp85) cc_final: 0.6854 (mmm-85) REVERT: R 253 LEU cc_start: 0.8018 (mp) cc_final: 0.7277 (tp) REVERT: R 256 ASN cc_start: 0.8502 (m-40) cc_final: 0.8198 (m-40) REVERT: R 257 MET cc_start: 0.6809 (mpp) cc_final: 0.6233 (mpp) REVERT: R 264 HIS cc_start: 0.7888 (p-80) cc_final: 0.7474 (p-80) REVERT: R 265 PHE cc_start: 0.8527 (m-80) cc_final: 0.7993 (m-80) REVERT: R 266 PHE cc_start: 0.7498 (m-80) cc_final: 0.6720 (m-80) REVERT: R 268 PRO cc_start: 0.8361 (Cg_endo) cc_final: 0.7624 (Cg_exo) REVERT: R 290 THR cc_start: 0.8909 (p) cc_final: 0.8680 (p) REVERT: R 292 GLN cc_start: 0.8280 (tt0) cc_final: 0.7449 (tm-30) REVERT: R 293 MET cc_start: 0.7925 (mtp) cc_final: 0.7590 (mtp) REVERT: R 295 ASP cc_start: 0.7684 (t70) cc_final: 0.7347 (t70) REVERT: R 298 ASN cc_start: 0.7087 (t0) cc_final: 0.6714 (t0) REVERT: R 300 MET cc_start: 0.7127 (mtt) cc_final: 0.6595 (mtt) REVERT: R 321 MET cc_start: 0.7550 (ppp) cc_final: 0.6465 (ppp) REVERT: R 324 LYS cc_start: 0.7920 (ttpt) cc_final: 0.7574 (ttpt) REVERT: R 325 GLU cc_start: 0.8290 (mt-10) cc_final: 0.7661 (mt-10) REVERT: R 326 VAL cc_start: 0.8660 (p) cc_final: 0.8393 (m) REVERT: R 330 MET cc_start: 0.6944 (ppp) cc_final: 0.6701 (ppp) REVERT: R 379 LYS cc_start: 0.8680 (ptpp) cc_final: 0.8213 (pttp) REVERT: R 384 GLN cc_start: 0.8104 (mt0) cc_final: 0.7783 (mt0) REVERT: R 385 PHE cc_start: 0.7552 (t80) cc_final: 0.7096 (t80) REVERT: R 388 MET cc_start: 0.7829 (mtp) cc_final: 0.7044 (mtp) REVERT: R 394 PHE cc_start: 0.8161 (m-80) cc_final: 0.7959 (m-10) REVERT: R 404 ASP cc_start: 0.6237 (t0) cc_final: 0.5860 (t0) REVERT: R 407 GLU cc_start: 0.7915 (mt-10) cc_final: 0.7535 (mt-10) REVERT: R 415 MET cc_start: 0.8032 (mmm) cc_final: 0.7377 (mmm) REVERT: a 62 TYR cc_start: 0.2543 (t80) cc_final: 0.2318 (t80) REVERT: a 92 THR cc_start: 0.6800 (m) cc_final: 0.6574 (p) REVERT: a 95 MET cc_start: 0.5949 (mpp) cc_final: 0.5676 (mpp) REVERT: a 122 MET cc_start: 0.5719 (mmp) cc_final: 0.5300 (mmp) REVERT: a 228 TYR cc_start: 0.6374 (m-10) cc_final: 0.5524 (m-10) outliers start: 5 outliers final: 1 residues processed: 3178 average time/residue: 0.8760 time to fit residues: 4707.1288 Evaluate side-chains 3030 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 3029 time to evaluate : 7.194 ------------------------------------------------------------------------------- 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: 9.9990 chunk 401 optimal weight: 2.9990 chunk 600 optimal weight: 7.9990 chunk 303 optimal weight: 0.5980 chunk 197 optimal weight: 0.0980 chunk 194 optimal weight: 0.9980 chunk 639 optimal weight: 5.9990 chunk 685 optimal weight: 2.9990 chunk 497 optimal weight: 0.5980 chunk 93 optimal weight: 8.9990 chunk 790 optimal weight: 0.7980 overall best weight: 0.6180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Q 292 GLN Y 63 ASN Y 160 ASN ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 412 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 190 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 8 ASN B 348 GLN K 298 ASN ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 35 GLN ** D 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 HIS ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 37 HIS ** W 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 160 ASN ** F 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 222 ASN F 239 GLN F 262 GLN F 289 HIS O 28 HIS ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN O 298 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 306 ASN P 334 GLN P 347 ASN P 384 GLN P 424 GLN ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 255 ASN a 308 ASN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6442 moved from start: 0.5229 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.048 85860 Z= 0.135 Angle : 0.550 8.667 116442 Z= 0.271 Chirality : 0.043 0.308 12825 Planarity : 0.003 0.061 15075 Dihedral : 8.817 157.073 12231 Min Nonbonded Distance : 2.057 Molprobity Statistics. All-atom Clashscore : 12.09 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.48 % Favored : 97.52 % Rotamer: Outliers : 0.07 % Allowed : 0.59 % Favored : 99.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.68 (0.08), residues: 10530 helix: -0.10 (0.08), residues: 4230 sheet: -0.08 (0.12), residues: 1755 loop : -0.81 (0.09), residues: 4545 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.029 0.001 TRP N 21 HIS 0.012 0.001 HIS F 289 PHE 0.024 0.001 PHE P 270 TYR 0.021 0.001 TYR G 230 ARG 0.008 0.000 ARG A 270 *********************** 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 3168 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 3162 time to evaluate : 7.045 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: I 22 GLU cc_start: 0.8098 (pt0) cc_final: 0.7745 (pt0) REVERT: I 70 ARG cc_start: 0.7636 (mtt-85) cc_final: 0.7109 (mtt90) REVERT: I 74 VAL cc_start: 0.7247 (m) cc_final: 0.6984 (p) REVERT: I 89 TYR cc_start: 0.6141 (m-80) cc_final: 0.5858 (m-80) REVERT: I 90 ARG cc_start: 0.7014 (mtm-85) cc_final: 0.6383 (mtm-85) REVERT: I 108 ASN cc_start: 0.6785 (t0) cc_final: 0.6147 (t0) REVERT: I 116 ILE cc_start: 0.7484 (mm) cc_final: 0.7166 (mm) REVERT: I 118 LYS cc_start: 0.8657 (mmtt) cc_final: 0.7890 (mmtt) REVERT: I 144 PHE cc_start: 0.7520 (m-80) cc_final: 0.6588 (m-80) REVERT: I 158 LEU cc_start: 0.8280 (tp) cc_final: 0.7825 (tp) REVERT: I 174 GLU cc_start: 0.6517 (mp0) cc_final: 0.5268 (mp0) REVERT: I 192 ASN cc_start: 0.8407 (m-40) cc_final: 0.7759 (m-40) REVERT: I 194 ILE cc_start: 0.8057 (tt) cc_final: 0.7855 (tt) REVERT: I 209 MET cc_start: 0.6813 (mpp) cc_final: 0.6503 (mpp) REVERT: I 255 ASN cc_start: 0.6908 (m110) cc_final: 0.6534 (m-40) REVERT: I 265 LEU cc_start: 0.7748 (mp) cc_final: 0.7311 (mm) REVERT: I 270 ARG cc_start: 0.7009 (mtp180) cc_final: 0.6725 (ttt180) REVERT: I 298 THR cc_start: 0.8099 (p) cc_final: 0.7806 (t) REVERT: I 306 ASN cc_start: 0.8099 (t0) cc_final: 0.7396 (t0) REVERT: I 309 VAL cc_start: 0.8646 (t) cc_final: 0.8320 (m) REVERT: I 322 CYS cc_start: 0.6587 (p) cc_final: 0.6125 (p) REVERT: I 325 TYR cc_start: 0.8054 (m-10) cc_final: 0.7699 (m-10) REVERT: I 328 ASP cc_start: 0.6464 (p0) cc_final: 0.6014 (p0) REVERT: I 344 LYS cc_start: 0.8298 (ttpt) cc_final: 0.8012 (ttpt) REVERT: I 348 GLN cc_start: 0.7010 (pt0) cc_final: 0.6578 (tm-30) REVERT: I 349 PHE cc_start: 0.8296 (m-80) cc_final: 0.7144 (m-80) REVERT: I 362 ASN cc_start: 0.8068 (t0) cc_final: 0.7535 (t0) REVERT: I 376 LYS cc_start: 0.8077 (tmtt) cc_final: 0.7801 (tmtt) REVERT: I 378 GLN cc_start: 0.7857 (mm110) cc_final: 0.6993 (mm-40) REVERT: I 379 ARG cc_start: 0.8037 (ptp90) cc_final: 0.7737 (ptt-90) REVERT: I 383 MET cc_start: 0.6768 (tpt) cc_final: 0.6081 (tpt) REVERT: I 386 ASN cc_start: 0.6541 (t0) cc_final: 0.6190 (t0) REVERT: I 392 GLU cc_start: 0.7410 (pt0) cc_final: 0.7136 (pt0) REVERT: I 400 LYS cc_start: 0.7581 (ptpt) cc_final: 0.7170 (mtmm) REVERT: I 401 PHE cc_start: 0.7643 (t80) cc_final: 0.7149 (t80) REVERT: I 407 LYS cc_start: 0.8314 (mmmt) cc_final: 0.7675 (mmmt) REVERT: I 408 ARG cc_start: 0.8121 (mpt180) cc_final: 0.7552 (mpt180) REVERT: I 410 PHE cc_start: 0.8763 (m-80) cc_final: 0.8249 (m-10) REVERT: I 434 LEU cc_start: 0.7968 (tt) cc_final: 0.7699 (tp) REVERT: I 440 GLU cc_start: 0.8244 (tt0) cc_final: 0.7862 (tt0) REVERT: Q 14 ASN cc_start: 0.8711 (m110) cc_final: 0.8275 (m110) REVERT: Q 73 MET cc_start: 0.8497 (mmt) cc_final: 0.7887 (mmt) REVERT: Q 103 LYS cc_start: 0.7356 (mttt) cc_final: 0.6459 (mmmm) REVERT: Q 121 ARG cc_start: 0.7964 (ttm110) cc_final: 0.7556 (ttm110) REVERT: Q 147 MET cc_start: 0.5876 (tmm) cc_final: 0.5319 (tmm) REVERT: Q 150 LEU cc_start: 0.8065 (tt) cc_final: 0.7770 (mm) REVERT: Q 160 PRO cc_start: 0.8035 (Cg_endo) cc_final: 0.7627 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6123 (mmt-90) cc_final: 0.5345 (mmt180) REVERT: Q 190 HIS cc_start: 0.7335 (t70) cc_final: 0.6797 (t-90) REVERT: Q 205 GLU cc_start: 0.7762 (tm-30) cc_final: 0.7005 (tp30) REVERT: Q 227 HIS cc_start: 0.7654 (t70) cc_final: 0.7216 (m-70) REVERT: Q 233 MET cc_start: 0.8073 (mtp) cc_final: 0.7709 (mtp) REVERT: Q 240 LEU cc_start: 0.8044 (pp) cc_final: 0.7773 (pp) REVERT: Q 256 ASN cc_start: 0.8477 (m-40) cc_final: 0.8264 (m-40) REVERT: Q 257 MET cc_start: 0.6867 (mmm) cc_final: 0.6575 (mmm) REVERT: Q 260 PHE cc_start: 0.7928 (m-80) cc_final: 0.7659 (m-80) REVERT: Q 266 PHE cc_start: 0.7858 (m-10) cc_final: 0.7559 (m-10) REVERT: Q 276 ARG cc_start: 0.7246 (tpm170) cc_final: 0.6160 (tpm170) REVERT: Q 280 GLN cc_start: 0.7846 (mp-120) cc_final: 0.7257 (mp10) REVERT: Q 290 THR cc_start: 0.8353 (m) cc_final: 0.7772 (t) REVERT: Q 293 MET cc_start: 0.7735 (mtp) cc_final: 0.7038 (mtp) REVERT: Q 294 PHE cc_start: 0.7709 (m-80) cc_final: 0.7475 (m-80) REVERT: Q 295 ASP cc_start: 0.8045 (t70) cc_final: 0.7827 (t70) REVERT: Q 307 HIS cc_start: 0.7537 (m90) cc_final: 0.7298 (m-70) REVERT: Q 318 ARG cc_start: 0.6841 (mtp180) cc_final: 0.6382 (mtp180) REVERT: Q 321 MET cc_start: 0.7857 (ptp) cc_final: 0.7106 (ptp) REVERT: Q 330 MET cc_start: 0.7021 (ppp) cc_final: 0.6537 (ppp) REVERT: Q 335 ASN cc_start: 0.7175 (m110) cc_final: 0.6876 (m110) REVERT: Q 337 ASN cc_start: 0.7672 (m110) cc_final: 0.6765 (m-40) REVERT: Q 340 TYR cc_start: 0.7210 (m-80) cc_final: 0.6463 (m-80) REVERT: Q 350 LYS cc_start: 0.7649 (tmtt) cc_final: 0.6846 (tmtt) REVERT: Q 354 CYS cc_start: 0.7805 (t) cc_final: 0.7506 (t) REVERT: Q 355 ASP cc_start: 0.7917 (m-30) cc_final: 0.7656 (m-30) REVERT: Q 363 MET cc_start: 0.6910 (ppp) cc_final: 0.6602 (ppp) REVERT: Q 375 GLN cc_start: 0.7962 (pt0) cc_final: 0.7727 (pt0) REVERT: Q 383 GLU cc_start: 0.7534 (pp20) cc_final: 0.7262 (pp20) REVERT: Q 384 GLN cc_start: 0.8375 (mt0) cc_final: 0.7997 (mt0) REVERT: Q 385 PHE cc_start: 0.7609 (t80) cc_final: 0.7266 (t80) REVERT: Q 390 ARG cc_start: 0.7713 (ptt-90) cc_final: 0.7205 (ptt-90) REVERT: Q 392 LYS cc_start: 0.7644 (mtmm) cc_final: 0.7414 (mtmm) REVERT: Q 397 TRP cc_start: 0.7669 (m100) cc_final: 0.7029 (m100) REVERT: Q 421 GLU cc_start: 0.7543 (tt0) cc_final: 0.6901 (tt0) REVERT: Y 19 ASN cc_start: 0.7083 (m-40) cc_final: 0.6641 (m-40) REVERT: Y 59 GLU cc_start: 0.7464 (tp30) cc_final: 0.7175 (tp30) REVERT: Y 92 THR cc_start: 0.7157 (p) cc_final: 0.6679 (p) REVERT: Y 122 MET cc_start: 0.5774 (pmm) cc_final: 0.5398 (pmm) REVERT: Y 198 ASN cc_start: 0.6577 (t0) cc_final: 0.5634 (t0) REVERT: Y 226 LYS cc_start: 0.7101 (mtmt) cc_final: 0.6542 (mtmt) REVERT: Y 256 LYS cc_start: 0.7754 (mmmt) cc_final: 0.6849 (mmmt) REVERT: Y 282 MET cc_start: 0.7854 (tpt) cc_final: 0.7388 (tpt) REVERT: Y 311 GLU cc_start: 0.7200 (pp20) cc_final: 0.6886 (pp20) REVERT: Y 313 LYS cc_start: 0.8616 (mtmt) cc_final: 0.8312 (mtmt) REVERT: Y 316 LEU cc_start: 0.7447 (mt) cc_final: 0.7149 (mt) REVERT: Y 320 GLN cc_start: 0.7254 (mt0) cc_final: 0.6950 (mm-40) REVERT: A 22 GLU cc_start: 0.7707 (pt0) cc_final: 0.7347 (pt0) REVERT: A 31 GLN cc_start: 0.7203 (tm-30) cc_final: 0.6777 (tm-30) REVERT: A 36 MET cc_start: 0.7969 (ttp) cc_final: 0.7647 (mtm) REVERT: A 61 GLU cc_start: 0.5382 (tm-30) cc_final: 0.5095 (tm-30) REVERT: A 77 GLU cc_start: 0.6512 (pt0) cc_final: 0.6215 (pt0) REVERT: A 82 ASP cc_start: 0.8008 (p0) cc_final: 0.7653 (p0) REVERT: A 91 GLN cc_start: 0.7495 (mp10) cc_final: 0.7092 (mp10) REVERT: A 93 PHE cc_start: 0.7011 (m-80) cc_final: 0.6424 (m-80) REVERT: A 96 GLU cc_start: 0.7710 (tt0) cc_final: 0.7115 (tt0) REVERT: A 107 ASN cc_start: 0.7167 (m-40) cc_final: 0.6849 (m-40) REVERT: A 116 ILE cc_start: 0.7441 (mm) cc_final: 0.7240 (mm) REVERT: A 127 ARG cc_start: 0.6935 (mmm-85) cc_final: 0.6417 (mmm-85) REVERT: A 142 LEU cc_start: 0.7558 (pt) cc_final: 0.6967 (pt) REVERT: A 144 PHE cc_start: 0.7037 (m-80) cc_final: 0.6748 (m-80) REVERT: A 155 PHE cc_start: 0.7995 (t80) cc_final: 0.6997 (t80) REVERT: A 163 LEU cc_start: 0.8347 (tp) cc_final: 0.7976 (tp) REVERT: A 172 LYS cc_start: 0.7597 (mtmm) cc_final: 0.7349 (mtmm) REVERT: A 174 GLU cc_start: 0.6575 (mp0) cc_final: 0.5805 (mp0) REVERT: A 175 PHE cc_start: 0.7891 (m-80) cc_final: 0.6810 (m-80) REVERT: A 209 MET cc_start: 0.7133 (mpp) cc_final: 0.6883 (mpp) REVERT: A 233 LEU cc_start: 0.8634 (mp) cc_final: 0.8114 (tt) REVERT: A 235 ARG cc_start: 0.8377 (tpp80) cc_final: 0.8011 (tpp80) REVERT: A 259 THR cc_start: 0.7982 (p) cc_final: 0.7459 (p) REVERT: A 290 GLU cc_start: 0.7493 (tp30) cc_final: 0.7004 (tp30) REVERT: A 312 ASP cc_start: 0.7523 (t0) cc_final: 0.7143 (t70) REVERT: A 319 MET cc_start: 0.6268 (mmm) cc_final: 0.5743 (mmm) REVERT: A 322 CYS cc_start: 0.6089 (p) cc_final: 0.5732 (p) REVERT: A 351 ASP cc_start: 0.7956 (p0) cc_final: 0.7381 (p0) REVERT: A 358 LYS cc_start: 0.7273 (tmtt) cc_final: 0.6575 (mmtt) REVERT: A 378 GLN cc_start: 0.8348 (mm110) cc_final: 0.7906 (mm110) REVERT: A 383 MET cc_start: 0.7066 (tpt) cc_final: 0.6494 (tpt) REVERT: A 384 LEU cc_start: 0.7047 (mm) cc_final: 0.6617 (mm) REVERT: A 385 SER cc_start: 0.7819 (m) cc_final: 0.7156 (p) REVERT: A 390 ILE cc_start: 0.7796 (tp) cc_final: 0.7466 (tp) REVERT: A 401 PHE cc_start: 0.8050 (t80) cc_final: 0.7689 (t80) REVERT: A 436 LYS cc_start: 0.7538 (tmmt) cc_final: 0.6880 (tmmt) REVERT: A 439 GLU cc_start: 0.8013 (pt0) cc_final: 0.7640 (pt0) REVERT: A 440 GLU cc_start: 0.8236 (tt0) cc_final: 0.7815 (tt0) REVERT: J 4 ILE cc_start: 0.7799 (mp) cc_final: 0.7579 (mp) REVERT: J 22 GLU cc_start: 0.8224 (mt-10) cc_final: 0.7248 (mt-10) REVERT: J 24 ILE cc_start: 0.8644 (pt) cc_final: 0.8372 (pt) REVERT: J 26 ASP cc_start: 0.7174 (m-30) cc_final: 0.6791 (m-30) REVERT: J 69 GLU cc_start: 0.7296 (mm-30) cc_final: 0.7072 (mm-30) REVERT: J 73 MET cc_start: 0.8456 (mmt) cc_final: 0.7648 (mmt) REVERT: J 106 TYR cc_start: 0.8018 (m-80) cc_final: 0.7664 (m-10) REVERT: J 108 GLU cc_start: 0.6809 (mp0) cc_final: 0.5832 (mp0) REVERT: J 112 LEU cc_start: 0.7895 (tp) cc_final: 0.7170 (tt) REVERT: J 123 GLU cc_start: 0.8063 (mm-30) cc_final: 0.7597 (mm-30) REVERT: J 126 SER cc_start: 0.8094 (p) cc_final: 0.7842 (p) REVERT: J 147 MET cc_start: 0.5874 (tmm) cc_final: 0.5390 (tmm) REVERT: J 157 GLU cc_start: 0.7828 (pt0) cc_final: 0.7413 (pt0) REVERT: J 191 GLN cc_start: 0.8227 (mp10) cc_final: 0.7574 (mp-120) REVERT: J 198 GLU cc_start: 0.6835 (tp30) cc_final: 0.6443 (tp30) REVERT: J 208 TYR cc_start: 0.7672 (m-80) cc_final: 0.7086 (m-80) REVERT: J 257 MET cc_start: 0.6620 (mmm) cc_final: 0.6214 (mmm) REVERT: J 265 PHE cc_start: 0.8469 (m-80) cc_final: 0.7736 (m-10) REVERT: J 267 MET cc_start: 0.7269 (mtt) cc_final: 0.7062 (mtt) REVERT: J 270 PHE cc_start: 0.7006 (t80) cc_final: 0.6384 (t80) REVERT: J 273 LEU cc_start: 0.8158 (mt) cc_final: 0.7869 (mt) REVERT: J 292 GLN cc_start: 0.7303 (tt0) cc_final: 0.6575 (tm-30) REVERT: J 295 ASP cc_start: 0.7805 (t70) cc_final: 0.7345 (t0) REVERT: J 300 MET cc_start: 0.7915 (mtm) cc_final: 0.6846 (mpp) REVERT: J 326 VAL cc_start: 0.8608 (t) cc_final: 0.8114 (t) REVERT: J 330 MET cc_start: 0.7092 (ppp) cc_final: 0.6609 (ppp) REVERT: J 337 ASN cc_start: 0.6308 (t0) cc_final: 0.5567 (t0) REVERT: J 343 GLU cc_start: 0.6698 (pm20) cc_final: 0.6387 (pm20) REVERT: J 367 PHE cc_start: 0.7529 (t80) cc_final: 0.7238 (t80) REVERT: J 375 GLN cc_start: 0.8258 (pp30) cc_final: 0.7750 (tm-30) REVERT: J 384 GLN cc_start: 0.8516 (mt0) cc_final: 0.7819 (mm-40) REVERT: J 388 MET cc_start: 0.8019 (mtp) cc_final: 0.7682 (mtp) REVERT: J 389 PHE cc_start: 0.8293 (t80) cc_final: 0.8010 (t80) REVERT: J 395 LEU cc_start: 0.8568 (mt) cc_final: 0.8171 (mt) REVERT: J 407 GLU cc_start: 0.8156 (mt-10) cc_final: 0.7329 (mt-10) REVERT: S 116 PHE cc_start: 0.6091 (m-80) cc_final: 0.5798 (m-80) REVERT: S 211 ASN cc_start: 0.5906 (t0) cc_final: 0.5473 (t0) REVERT: S 256 LYS cc_start: 0.8409 (mmmt) cc_final: 0.8087 (mmmt) REVERT: S 287 GLN cc_start: 0.7416 (pp30) cc_final: 0.7138 (pm20) REVERT: S 318 PHE cc_start: 0.6910 (t80) cc_final: 0.6557 (t80) REVERT: B 3 GLU cc_start: 0.5377 (mp0) cc_final: 0.5151 (mp0) REVERT: B 96 GLU cc_start: 0.8055 (tt0) cc_final: 0.7444 (tt0) REVERT: B 108 ASN cc_start: 0.6736 (t0) cc_final: 0.6534 (t0) REVERT: B 114 TYR cc_start: 0.8118 (m-80) cc_final: 0.7050 (m-80) REVERT: B 129 ARG cc_start: 0.6388 (tpm170) cc_final: 0.5454 (tpm170) REVERT: B 142 LEU cc_start: 0.7431 (pt) cc_final: 0.7020 (pp) REVERT: B 169 LYS cc_start: 0.7817 (ptmm) cc_final: 0.7449 (ptmm) REVERT: B 193 SER cc_start: 0.8251 (m) cc_final: 0.7978 (p) REVERT: B 235 ARG cc_start: 0.7692 (mtt-85) cc_final: 0.6829 (mmm160) REVERT: B 239 GLN cc_start: 0.7681 (tp-100) cc_final: 0.7314 (tp-100) REVERT: B 282 ILE cc_start: 0.7227 (tp) cc_final: 0.6924 (tp) REVERT: B 289 HIS cc_start: 0.7215 (m170) cc_final: 0.6925 (m170) REVERT: B 290 GLU cc_start: 0.7719 (tp30) cc_final: 0.7420 (tp30) REVERT: B 308 MET cc_start: 0.7782 (mmt) cc_final: 0.7303 (mmt) REVERT: B 311 CYS cc_start: 0.7723 (m) cc_final: 0.7321 (m) REVERT: B 340 THR cc_start: 0.8768 (p) cc_final: 0.8520 (m) REVERT: B 341 ILE cc_start: 0.8894 (mm) cc_final: 0.8555 (mm) REVERT: B 349 PHE cc_start: 0.7735 (m-80) cc_final: 0.7532 (m-10) REVERT: B 379 ARG cc_start: 0.7836 (ptp90) cc_final: 0.7498 (mtm-85) REVERT: B 384 LEU cc_start: 0.7269 (mm) cc_final: 0.6865 (mm) REVERT: B 400 LYS cc_start: 0.7252 (ptpp) cc_final: 0.7050 (pttm) REVERT: B 401 PHE cc_start: 0.7630 (t80) cc_final: 0.7018 (t80) REVERT: B 408 ARG cc_start: 0.7378 (mpt180) cc_final: 0.7003 (mpt180) REVERT: B 410 PHE cc_start: 0.8413 (m-80) cc_final: 0.8117 (m-80) REVERT: B 426 GLU cc_start: 0.7038 (tp30) cc_final: 0.6142 (tp30) REVERT: B 430 ASP cc_start: 0.7848 (t0) cc_final: 0.7442 (t0) REVERT: B 440 GLU cc_start: 0.8182 (tt0) cc_final: 0.7516 (pt0) REVERT: K 1 MET cc_start: 0.7600 (tpp) cc_final: 0.7256 (tpt) REVERT: K 3 GLU cc_start: 0.7060 (mp0) cc_final: 0.6096 (mp0) REVERT: K 15 GLN cc_start: 0.8775 (mm-40) cc_final: 0.8119 (mm-40) REVERT: K 19 LYS cc_start: 0.8025 (tptt) cc_final: 0.7473 (tptt) REVERT: K 22 GLU cc_start: 0.8322 (mt-10) cc_final: 0.7786 (mt-10) REVERT: K 47 ILE cc_start: 0.8364 (tt) cc_final: 0.8133 (tt) REVERT: K 50 TYR cc_start: 0.6970 (m-10) cc_final: 0.6738 (m-10) REVERT: K 53 GLU cc_start: 0.7690 (tp30) cc_final: 0.7487 (tp30) REVERT: K 58 LYS cc_start: 0.7825 (mmmm) cc_final: 0.7433 (mmmm) REVERT: K 59 TYR cc_start: 0.6928 (m-80) cc_final: 0.6578 (m-80) REVERT: K 73 MET cc_start: 0.8373 (mmt) cc_final: 0.7200 (mmt) REVERT: K 117 LEU cc_start: 0.7720 (tp) cc_final: 0.7075 (tp) REVERT: K 121 ARG cc_start: 0.7471 (mtt90) cc_final: 0.7206 (mtt90) REVERT: K 131 GLN cc_start: 0.6771 (tp-100) cc_final: 0.5939 (tp-100) REVERT: K 191 GLN cc_start: 0.8062 (mp10) cc_final: 0.7728 (mp10) REVERT: K 194 GLU cc_start: 0.7400 (pt0) cc_final: 0.7146 (pt0) REVERT: K 213 ARG cc_start: 0.6089 (mtm180) cc_final: 0.5513 (mtm-85) REVERT: K 227 HIS cc_start: 0.7651 (t-90) cc_final: 0.7260 (t-90) REVERT: K 233 MET cc_start: 0.8081 (mtm) cc_final: 0.7771 (mtm) REVERT: K 240 LEU cc_start: 0.8170 (pt) cc_final: 0.7861 (pt) REVERT: K 250 LEU cc_start: 0.6864 (mm) cc_final: 0.6564 (mm) REVERT: K 257 MET cc_start: 0.7707 (mmm) cc_final: 0.6977 (mmm) REVERT: K 262 ARG cc_start: 0.7862 (mmt90) cc_final: 0.7592 (mtt-85) REVERT: K 264 HIS cc_start: 0.7565 (p-80) cc_final: 0.6856 (p90) REVERT: K 280 GLN cc_start: 0.7899 (mp10) cc_final: 0.7624 (mp10) REVERT: K 289 LEU cc_start: 0.7987 (pp) cc_final: 0.7778 (pp) REVERT: K 290 THR cc_start: 0.7502 (m) cc_final: 0.7240 (p) REVERT: K 293 MET cc_start: 0.7531 (mtp) cc_final: 0.6932 (mtp) REVERT: K 298 ASN cc_start: 0.7498 (t0) cc_final: 0.7069 (t0) REVERT: K 299 MET cc_start: 0.5919 (ptt) cc_final: 0.5161 (ptt) REVERT: K 300 MET cc_start: 0.7057 (mtm) cc_final: 0.5778 (mpp) REVERT: K 321 MET cc_start: 0.7606 (pmm) cc_final: 0.7083 (pmm) REVERT: K 323 MET cc_start: 0.7386 (mmp) cc_final: 0.7168 (mmp) REVERT: K 324 LYS cc_start: 0.8115 (ttpt) cc_final: 0.7825 (ttpp) REVERT: K 325 GLU cc_start: 0.8332 (mt-10) cc_final: 0.7753 (mt-10) REVERT: K 327 ASP cc_start: 0.7282 (m-30) cc_final: 0.6172 (m-30) REVERT: K 330 MET cc_start: 0.6369 (ppp) cc_final: 0.6019 (ppp) REVERT: K 335 ASN cc_start: 0.6941 (m110) cc_final: 0.6693 (m-40) REVERT: K 340 TYR cc_start: 0.7871 (m-80) cc_final: 0.7498 (m-80) REVERT: K 375 GLN cc_start: 0.8602 (pt0) cc_final: 0.7747 (pt0) REVERT: K 379 LYS cc_start: 0.8551 (ptpt) cc_final: 0.8232 (ptpt) REVERT: K 390 ARG cc_start: 0.7914 (ptm-80) cc_final: 0.7644 (ptm160) REVERT: K 391 ARG cc_start: 0.3241 (ptt180) cc_final: 0.2417 (mtm180) REVERT: K 408 PHE cc_start: 0.7947 (m-80) cc_final: 0.7521 (m-80) REVERT: K 414 ASN cc_start: 0.8445 (m-40) cc_final: 0.7979 (m-40) REVERT: K 415 MET cc_start: 0.8294 (mmm) cc_final: 0.7904 (mmm) REVERT: T 22 GLU cc_start: 0.6513 (mt-10) cc_final: 0.6003 (mt-10) REVERT: T 40 VAL cc_start: 0.5937 (t) cc_final: 0.5436 (t) REVERT: T 105 MET cc_start: 0.5251 (ptt) cc_final: 0.4713 (ppp) REVERT: T 125 ASN cc_start: 0.7832 (p0) cc_final: 0.7246 (t0) REVERT: T 217 THR cc_start: 0.5469 (p) cc_final: 0.4990 (p) REVERT: T 250 GLU cc_start: 0.6710 (mm-30) cc_final: 0.6290 (mm-30) REVERT: T 287 GLN cc_start: 0.8020 (pp30) cc_final: 0.7799 (pp30) REVERT: T 309 GLU cc_start: 0.6908 (mt-10) cc_final: 0.6619 (mp0) REVERT: C 83 GLU cc_start: 0.7108 (pm20) cc_final: 0.6665 (pm20) REVERT: C 108 ASN cc_start: 0.6640 (t0) cc_final: 0.6269 (t0) REVERT: C 114 TYR cc_start: 0.8113 (m-80) cc_final: 0.7500 (m-80) REVERT: C 119 GLU cc_start: 0.7651 (pp20) cc_final: 0.7288 (pp20) REVERT: C 161 GLU cc_start: 0.8374 (pt0) cc_final: 0.8126 (pt0) REVERT: C 169 LYS cc_start: 0.7873 (ptmm) cc_final: 0.7509 (ptmm) REVERT: C 172 LYS cc_start: 0.7526 (mtmm) cc_final: 0.7145 (mtmm) REVERT: C 192 ASN cc_start: 0.8440 (m-40) cc_final: 0.7683 (m-40) REVERT: C 227 ARG cc_start: 0.7270 (mtm-85) cc_final: 0.6807 (mmm-85) REVERT: C 233 LEU cc_start: 0.8544 (mp) cc_final: 0.7846 (tp) REVERT: C 235 ARG cc_start: 0.7774 (mtt-85) cc_final: 0.7257 (mmm-85) REVERT: C 248 LEU cc_start: 0.8933 (mt) cc_final: 0.8394 (pp) REVERT: C 254 LEU cc_start: 0.7845 (tt) cc_final: 0.7629 (tt) REVERT: C 311 CYS cc_start: 0.8043 (m) cc_final: 0.7191 (p) REVERT: C 351 ASP cc_start: 0.7910 (p0) cc_final: 0.7366 (p0) REVERT: C 355 THR cc_start: 0.8327 (p) cc_final: 0.7758 (t) REVERT: C 362 ASN cc_start: 0.7956 (t0) cc_final: 0.7374 (t0) REVERT: C 363 TYR cc_start: 0.7541 (m-10) cc_final: 0.7279 (m-10) REVERT: C 376 LYS cc_start: 0.7728 (tmtt) cc_final: 0.7169 (tmtt) REVERT: C 378 GLN cc_start: 0.8201 (mm-40) cc_final: 0.7304 (mm-40) REVERT: C 379 ARG cc_start: 0.7807 (ptp90) cc_final: 0.7401 (mtm-85) REVERT: C 383 MET cc_start: 0.7205 (tpt) cc_final: 0.6639 (tpt) REVERT: C 400 LYS cc_start: 0.7127 (ptpt) cc_final: 0.6558 (pttm) REVERT: C 401 PHE cc_start: 0.7617 (t80) cc_final: 0.6989 (t80) REVERT: C 404 MET cc_start: 0.7422 (mtm) cc_final: 0.6817 (mtm) REVERT: C 407 LYS cc_start: 0.8064 (mmmt) cc_final: 0.7806 (mmmm) REVERT: C 408 ARG cc_start: 0.7740 (mmt180) cc_final: 0.7413 (mmt180) REVERT: C 410 PHE cc_start: 0.8509 (m-80) cc_final: 0.7832 (m-10) REVERT: C 419 MET cc_start: 0.7265 (mmp) cc_final: 0.6667 (mmt) REVERT: C 423 GLU cc_start: 0.7367 (pm20) cc_final: 0.7012 (pm20) REVERT: C 426 GLU cc_start: 0.7411 (tp30) cc_final: 0.6578 (tp30) REVERT: C 430 ASP cc_start: 0.7709 (t0) cc_final: 0.7304 (t0) REVERT: C 440 GLU cc_start: 0.8114 (tt0) cc_final: 0.7654 (pt0) REVERT: L 2 ARG cc_start: 0.8172 (mtm110) cc_final: 0.7531 (mmm160) REVERT: L 22 GLU cc_start: 0.8426 (mt-10) cc_final: 0.8023 (mt-10) REVERT: L 24 ILE cc_start: 0.9018 (pt) cc_final: 0.8615 (pt) REVERT: L 45 GLU cc_start: 0.7812 (pp20) cc_final: 0.7573 (pp20) REVERT: L 53 GLU cc_start: 0.7582 (tp30) cc_final: 0.6616 (tp30) REVERT: L 59 TYR cc_start: 0.6194 (m-80) cc_final: 0.5796 (m-80) REVERT: L 66 VAL cc_start: 0.7850 (m) cc_final: 0.7397 (p) REVERT: L 73 MET cc_start: 0.8258 (mmt) cc_final: 0.7514 (mmt) REVERT: L 74 ASP cc_start: 0.7483 (m-30) cc_final: 0.7259 (m-30) REVERT: L 121 ARG cc_start: 0.7970 (mmm-85) cc_final: 0.7691 (mmm-85) REVERT: L 122 LYS cc_start: 0.8013 (pptt) cc_final: 0.7563 (pptt) REVERT: L 136 THR cc_start: 0.8226 (t) cc_final: 0.7944 (p) REVERT: L 147 MET cc_start: 0.6309 (tmm) cc_final: 0.5812 (tmm) REVERT: L 154 LYS cc_start: 0.8336 (mmmt) cc_final: 0.7939 (mmmt) REVERT: L 166 THR cc_start: 0.7124 (t) cc_final: 0.6865 (p) REVERT: L 184 ASN cc_start: 0.7734 (m-40) cc_final: 0.7448 (m-40) REVERT: L 187 LEU cc_start: 0.8684 (mt) cc_final: 0.8210 (mt) REVERT: L 194 GLU cc_start: 0.7120 (pt0) cc_final: 0.6714 (pt0) REVERT: L 241 ARG cc_start: 0.7626 (mtm110) cc_final: 0.7095 (ttp80) REVERT: L 242 PHE cc_start: 0.7934 (m-80) cc_final: 0.7440 (m-80) REVERT: L 245 GLN cc_start: 0.7030 (mm-40) cc_final: 0.6207 (mm-40) REVERT: L 257 MET cc_start: 0.7817 (mmm) cc_final: 0.6865 (mmm) REVERT: L 262 ARG cc_start: 0.7083 (mtm-85) cc_final: 0.6833 (mtm-85) REVERT: L 265 PHE cc_start: 0.8236 (m-80) cc_final: 0.7286 (m-80) REVERT: L 270 PHE cc_start: 0.6784 (t80) cc_final: 0.6477 (t80) REVERT: L 274 THR cc_start: 0.7593 (p) cc_final: 0.7321 (p) REVERT: L 276 ARG cc_start: 0.6873 (tpm170) cc_final: 0.6285 (tpm170) REVERT: L 293 MET cc_start: 0.7470 (mtp) cc_final: 0.7003 (mtp) REVERT: L 299 MET cc_start: 0.7467 (ppp) cc_final: 0.7145 (ppp) REVERT: L 300 MET cc_start: 0.7433 (mtm) cc_final: 0.6861 (mtm) REVERT: L 321 MET cc_start: 0.7818 (ppp) cc_final: 0.6927 (ppp) REVERT: L 324 LYS cc_start: 0.8174 (ttpt) cc_final: 0.7840 (ttpp) REVERT: L 325 GLU cc_start: 0.8040 (mt-10) cc_final: 0.7601 (mt-10) REVERT: L 327 ASP cc_start: 0.7700 (m-30) cc_final: 0.6709 (m-30) REVERT: L 330 MET cc_start: 0.6762 (ppp) cc_final: 0.6442 (ppp) REVERT: L 331 LEU cc_start: 0.7876 (tp) cc_final: 0.7608 (tp) REVERT: L 335 ASN cc_start: 0.7438 (m110) cc_final: 0.6980 (m110) REVERT: L 347 ASN cc_start: 0.7692 (t0) cc_final: 0.7111 (t0) REVERT: L 350 LYS cc_start: 0.8251 (tptp) cc_final: 0.7866 (tptp) REVERT: L 353 VAL cc_start: 0.8013 (p) cc_final: 0.7667 (m) REVERT: L 355 ASP cc_start: 0.7740 (m-30) cc_final: 0.6947 (m-30) REVERT: L 362 LYS cc_start: 0.7680 (mmmt) cc_final: 0.7390 (mmmm) REVERT: L 375 GLN cc_start: 0.8428 (pt0) cc_final: 0.7705 (pt0) REVERT: L 408 PHE cc_start: 0.8078 (m-80) cc_final: 0.7478 (m-80) REVERT: L 414 ASN cc_start: 0.8008 (m-40) cc_final: 0.7461 (m-40) REVERT: L 416 ASN cc_start: 0.7630 (m110) cc_final: 0.7333 (m110) REVERT: L 421 GLU cc_start: 0.8136 (tt0) cc_final: 0.7273 (tt0) REVERT: L 422 TYR cc_start: 0.8095 (m-80) cc_final: 0.7592 (m-80) REVERT: U 44 LYS cc_start: 0.6328 (pttm) cc_final: 0.5726 (pttm) REVERT: U 46 TYR cc_start: 0.6616 (m-80) cc_final: 0.5931 (m-80) REVERT: U 105 MET cc_start: 0.5920 (ptt) cc_final: 0.5361 (ptt) REVERT: U 250 GLU cc_start: 0.6942 (mm-30) cc_final: 0.6601 (mm-30) REVERT: U 256 LYS cc_start: 0.7565 (mmmt) cc_final: 0.7147 (mmmm) REVERT: U 323 LYS cc_start: 0.7126 (tptm) cc_final: 0.6690 (tptm) REVERT: D 11 GLN cc_start: 0.4831 (tm-30) cc_final: 0.4492 (tm-30) REVERT: D 21 TRP cc_start: 0.8386 (m100) cc_final: 0.8132 (m100) REVERT: D 22 GLU cc_start: 0.7859 (pt0) cc_final: 0.7207 (pt0) REVERT: D 70 ARG cc_start: 0.7691 (mtt-85) cc_final: 0.6772 (mpt-90) REVERT: D 76 LEU cc_start: 0.7083 (mp) cc_final: 0.6824 (mm) REVERT: D 93 PHE cc_start: 0.6760 (m-80) cc_final: 0.6451 (m-80) REVERT: D 102 LYS cc_start: 0.7616 (tptp) cc_final: 0.6568 (tptp) REVERT: D 108 ASN cc_start: 0.6993 (t0) cc_final: 0.6444 (t0) REVERT: D 122 ASP cc_start: 0.7410 (p0) cc_final: 0.7182 (p0) REVERT: D 172 LYS cc_start: 0.6931 (mtmm) cc_final: 0.6346 (mtmm) REVERT: D 174 GLU cc_start: 0.6691 (mp0) cc_final: 0.5646 (mp0) REVERT: D 185 THR cc_start: 0.7932 (p) cc_final: 0.7310 (t) REVERT: D 196 THR cc_start: 0.8216 (t) cc_final: 0.7278 (m) REVERT: D 198 HIS cc_start: 0.8664 (t-90) cc_final: 0.8373 (t-90) REVERT: D 201 LEU cc_start: 0.7895 (tt) cc_final: 0.7583 (tt) REVERT: D 222 ASN cc_start: 0.8633 (m-40) cc_final: 0.8405 (m-40) REVERT: D 232 ASN cc_start: 0.8744 (m-40) cc_final: 0.8360 (m-40) REVERT: D 265 LEU cc_start: 0.7539 (mp) cc_final: 0.7305 (mp) REVERT: D 272 HIS cc_start: 0.6961 (p90) cc_final: 0.6168 (p90) REVERT: D 286 LYS cc_start: 0.8211 (mtpp) cc_final: 0.7878 (ttmt) REVERT: D 293 THR cc_start: 0.7953 (t) cc_final: 0.7551 (t) REVERT: D 296 GLU cc_start: 0.7884 (pm20) cc_final: 0.6527 (pm20) REVERT: D 308 MET cc_start: 0.7535 (mmm) cc_final: 0.7179 (mtp) REVERT: D 319 MET cc_start: 0.6139 (mmm) cc_final: 0.5549 (mmm) REVERT: D 338 ILE cc_start: 0.8736 (pt) cc_final: 0.8230 (tp) REVERT: D 344 LYS cc_start: 0.8327 (ttpt) cc_final: 0.7831 (ttpt) REVERT: D 348 GLN cc_start: 0.7552 (pp30) cc_final: 0.6743 (pp30) REVERT: D 358 LYS cc_start: 0.6837 (tmtt) cc_final: 0.6136 (tppt) REVERT: D 363 TYR cc_start: 0.6829 (m-80) cc_final: 0.6435 (m-80) REVERT: D 384 LEU cc_start: 0.7987 (mm) cc_final: 0.7547 (mm) REVERT: D 390 ILE cc_start: 0.8252 (mm) cc_final: 0.7998 (mm) REVERT: D 396 ARG cc_start: 0.8753 (ptt90) cc_final: 0.8405 (ptt90) REVERT: D 400 LYS cc_start: 0.7520 (ptpt) cc_final: 0.7226 (ptmt) REVERT: D 401 PHE cc_start: 0.7545 (t80) cc_final: 0.7065 (t80) REVERT: D 407 LYS cc_start: 0.8575 (mmmt) cc_final: 0.8342 (mmmt) REVERT: D 410 PHE cc_start: 0.8742 (m-80) cc_final: 0.8097 (m-80) REVERT: D 434 LEU cc_start: 0.7515 (tt) cc_final: 0.7304 (tt) REVERT: D 440 GLU cc_start: 0.8086 (tt0) cc_final: 0.7732 (tt0) REVERT: M 3 GLU cc_start: 0.5940 (mp0) cc_final: 0.5257 (mp0) REVERT: M 5 VAL cc_start: 0.5823 (t) cc_final: 0.5548 (t) REVERT: M 14 ASN cc_start: 0.8428 (m110) cc_final: 0.7949 (m110) REVERT: M 22 GLU cc_start: 0.8176 (mt-10) cc_final: 0.7488 (mt-10) REVERT: M 26 ASP cc_start: 0.7458 (m-30) cc_final: 0.7115 (m-30) REVERT: M 59 TYR cc_start: 0.8067 (m-80) cc_final: 0.7808 (m-80) REVERT: M 62 ARG cc_start: 0.8289 (ptp-110) cc_final: 0.7706 (ptp-110) REVERT: M 73 MET cc_start: 0.8230 (mmt) cc_final: 0.7276 (mmt) REVERT: M 121 ARG cc_start: 0.8206 (ttm110) cc_final: 0.7920 (ttm-80) REVERT: M 122 LYS cc_start: 0.8114 (ptmm) cc_final: 0.7869 (ptmm) REVERT: M 123 GLU cc_start: 0.7915 (mm-30) cc_final: 0.7574 (mm-30) REVERT: M 133 PHE cc_start: 0.6763 (m-80) cc_final: 0.5313 (m-80) REVERT: M 147 MET cc_start: 0.5397 (tmm) cc_final: 0.5016 (tmm) REVERT: M 158 GLU cc_start: 0.8184 (tt0) cc_final: 0.6305 (tt0) REVERT: M 159 TYR cc_start: 0.8061 (m-10) cc_final: 0.7479 (m-10) REVERT: M 164 MET cc_start: 0.6788 (mmp) cc_final: 0.6498 (tpp) REVERT: M 181 GLU cc_start: 0.8285 (pt0) cc_final: 0.7508 (pt0) REVERT: M 204 ASN cc_start: 0.8499 (m-40) cc_final: 0.8162 (m-40) REVERT: M 267 MET cc_start: 0.7954 (mtt) cc_final: 0.7271 (mtt) REVERT: M 270 PHE cc_start: 0.7241 (t80) cc_final: 0.6855 (t80) REVERT: M 290 THR cc_start: 0.8070 (m) cc_final: 0.7842 (p) REVERT: M 292 GLN cc_start: 0.8264 (tt0) cc_final: 0.7845 (tt0) REVERT: M 293 MET cc_start: 0.7666 (mtp) cc_final: 0.7016 (mtp) REVERT: M 295 ASP cc_start: 0.8211 (t70) cc_final: 0.7742 (t70) REVERT: M 300 MET cc_start: 0.7442 (mtt) cc_final: 0.6853 (mmm) REVERT: M 321 MET cc_start: 0.7408 (ptp) cc_final: 0.6759 (ptp) REVERT: M 327 ASP cc_start: 0.7414 (m-30) cc_final: 0.6641 (m-30) REVERT: M 330 MET cc_start: 0.7419 (ppp) cc_final: 0.6972 (ppp) REVERT: M 337 ASN cc_start: 0.7278 (m-40) cc_final: 0.6760 (m-40) REVERT: M 340 TYR cc_start: 0.7219 (m-80) cc_final: 0.6533 (m-80) REVERT: M 344 TRP cc_start: 0.7150 (p-90) cc_final: 0.6794 (p-90) REVERT: M 351 THR cc_start: 0.7897 (t) cc_final: 0.7680 (t) REVERT: M 353 VAL cc_start: 0.8145 (m) cc_final: 0.7700 (p) REVERT: M 380 ARG cc_start: 0.7955 (ptp-170) cc_final: 0.7564 (ptp-170) REVERT: M 383 GLU cc_start: 0.7533 (pp20) cc_final: 0.7136 (pp20) REVERT: M 384 GLN cc_start: 0.8250 (mt0) cc_final: 0.7738 (mt0) REVERT: M 388 MET cc_start: 0.7973 (mtp) cc_final: 0.7568 (mtp) REVERT: M 397 TRP cc_start: 0.7925 (m100) cc_final: 0.7526 (m100) REVERT: M 404 ASP cc_start: 0.8116 (t0) cc_final: 0.7881 (t70) REVERT: M 415 MET cc_start: 0.8023 (mmm) cc_final: 0.7256 (mmm) REVERT: M 421 GLU cc_start: 0.7415 (tt0) cc_final: 0.6900 (tt0) REVERT: V 12 MET cc_start: 0.6823 (mpp) cc_final: 0.6357 (mpp) REVERT: V 19 ASN cc_start: 0.6777 (m-40) cc_final: 0.6407 (m-40) REVERT: V 32 LYS cc_start: 0.7494 (tttt) cc_final: 0.7216 (tptt) REVERT: V 33 PHE cc_start: 0.6559 (m-80) cc_final: 0.5982 (m-80) REVERT: V 81 ILE cc_start: 0.6617 (mp) cc_final: 0.6414 (mp) REVERT: V 87 THR cc_start: 0.6096 (p) cc_final: 0.5726 (p) REVERT: V 197 MET cc_start: 0.6967 (tpt) cc_final: 0.6077 (tpt) REVERT: V 198 ASN cc_start: 0.6071 (t0) cc_final: 0.5602 (t0) REVERT: V 256 LYS cc_start: 0.8112 (mmmt) cc_final: 0.7357 (mmmt) REVERT: V 274 TYR cc_start: 0.5003 (t80) cc_final: 0.4342 (t80) REVERT: V 313 LYS cc_start: 0.8371 (mtmt) cc_final: 0.8036 (mtmt) REVERT: E 22 GLU cc_start: 0.7618 (pt0) cc_final: 0.7286 (pt0) REVERT: E 57 THR cc_start: 0.8589 (t) cc_final: 0.7965 (m) REVERT: E 70 ARG cc_start: 0.6981 (mtt90) cc_final: 0.6515 (mtt90) REVERT: E 90 ARG cc_start: 0.6778 (mtm-85) cc_final: 0.6538 (mmm-85) REVERT: E 108 ASN cc_start: 0.7623 (t0) cc_final: 0.7010 (t0) REVERT: E 127 ARG cc_start: 0.7164 (mmm-85) cc_final: 0.6447 (mmm-85) REVERT: E 129 ARG cc_start: 0.8058 (ttm-80) cc_final: 0.7522 (ttp-110) REVERT: E 141 PHE cc_start: 0.7243 (m-80) cc_final: 0.6731 (m-10) REVERT: E 172 LYS cc_start: 0.7853 (mtmm) cc_final: 0.7402 (mtmm) REVERT: E 175 PHE cc_start: 0.7646 (m-80) cc_final: 0.7076 (m-10) REVERT: E 187 VAL cc_start: 0.8281 (p) cc_final: 0.8059 (p) REVERT: E 220 ARG cc_start: 0.7151 (tpp80) cc_final: 0.6785 (tpp80) REVERT: E 222 ASN cc_start: 0.7953 (m110) cc_final: 0.7540 (m110) REVERT: E 225 ILE cc_start: 0.6511 (mm) cc_final: 0.6105 (tp) REVERT: E 239 GLN cc_start: 0.7809 (tp-100) cc_final: 0.7400 (tp40) REVERT: E 248 LEU cc_start: 0.8852 (mt) cc_final: 0.8387 (mm) REVERT: E 249 ARG cc_start: 0.8005 (mtt90) cc_final: 0.7554 (ptp90) REVERT: E 254 LEU cc_start: 0.7993 (tt) cc_final: 0.7724 (tt) REVERT: E 255 ASN cc_start: 0.6651 (m110) cc_final: 0.6328 (m-40) REVERT: E 286 LYS cc_start: 0.8453 (mttp) cc_final: 0.8109 (mtpt) REVERT: E 288 TYR cc_start: 0.7578 (m-80) cc_final: 0.7105 (m-80) REVERT: E 290 GLU cc_start: 0.7452 (tp30) cc_final: 0.6674 (tp30) REVERT: E 306 ASN cc_start: 0.7862 (t0) cc_final: 0.6767 (t0) REVERT: E 308 MET cc_start: 0.8285 (mmm) cc_final: 0.7294 (mmm) REVERT: E 319 MET cc_start: 0.6528 (mmm) cc_final: 0.5848 (mmm) REVERT: E 342 LYS cc_start: 0.8849 (mtpp) cc_final: 0.8512 (mtmm) REVERT: E 358 LYS cc_start: 0.7305 (tptp) cc_final: 0.7003 (tppt) REVERT: E 378 GLN cc_start: 0.8083 (mm110) cc_final: 0.7749 (mm110) REVERT: E 382 CYS cc_start: 0.7538 (t) cc_final: 0.7287 (t) REVERT: E 383 MET cc_start: 0.6542 (tpt) cc_final: 0.6060 (tpt) REVERT: E 384 LEU cc_start: 0.7113 (mm) cc_final: 0.6703 (mm) REVERT: E 401 PHE cc_start: 0.8198 (t80) cc_final: 0.7813 (t80) REVERT: E 439 GLU cc_start: 0.7906 (pt0) cc_final: 0.7668 (pt0) REVERT: N 2 ARG cc_start: 0.8000 (mtm180) cc_final: 0.7720 (mtm110) REVERT: N 20 PHE cc_start: 0.8454 (t80) cc_final: 0.8215 (t80) REVERT: N 47 ILE cc_start: 0.8183 (tt) cc_final: 0.7973 (tt) REVERT: N 58 LYS cc_start: 0.7387 (tttt) cc_final: 0.7145 (tttt) REVERT: N 62 ARG cc_start: 0.8253 (ptp-110) cc_final: 0.8032 (ptp-110) REVERT: N 73 MET cc_start: 0.8355 (mmt) cc_final: 0.8013 (mmt) REVERT: N 83 GLN cc_start: 0.7561 (mm-40) cc_final: 0.6834 (mm-40) REVERT: N 111 GLU cc_start: 0.6658 (pp20) cc_final: 0.6414 (pp20) REVERT: N 131 GLN cc_start: 0.6567 (tp40) cc_final: 0.5857 (tp40) REVERT: N 161 ASP cc_start: 0.7910 (p0) cc_final: 0.7213 (p0) REVERT: N 164 MET cc_start: 0.7047 (mmp) cc_final: 0.5998 (mmp) REVERT: N 181 GLU cc_start: 0.7839 (pt0) cc_final: 0.7459 (pt0) REVERT: N 188 SER cc_start: 0.8550 (m) cc_final: 0.8329 (m) REVERT: N 189 VAL cc_start: 0.8559 (m) cc_final: 0.8212 (m) REVERT: N 197 ASP cc_start: 0.6690 (m-30) cc_final: 0.6313 (m-30) REVERT: N 199 THR cc_start: 0.7464 (m) cc_final: 0.6980 (p) REVERT: N 200 TYR cc_start: 0.7828 (m-80) cc_final: 0.6371 (m-80) REVERT: N 215 LEU cc_start: 0.7525 (tp) cc_final: 0.7322 (tp) REVERT: N 233 MET cc_start: 0.8059 (mtp) cc_final: 0.7433 (mtp) REVERT: N 257 MET cc_start: 0.7043 (mmm) cc_final: 0.6355 (mmm) REVERT: N 261 PRO cc_start: 0.8338 (Cg_exo) cc_final: 0.7480 (Cg_endo) REVERT: N 264 HIS cc_start: 0.7722 (p-80) cc_final: 0.6901 (p-80) REVERT: N 265 PHE cc_start: 0.8595 (m-80) cc_final: 0.7725 (m-80) REVERT: N 267 MET cc_start: 0.7739 (mtt) cc_final: 0.7515 (mtt) REVERT: N 270 PHE cc_start: 0.7172 (t80) cc_final: 0.6851 (t80) REVERT: N 276 ARG cc_start: 0.7403 (tpm170) cc_final: 0.6297 (tpm170) REVERT: N 280 GLN cc_start: 0.8092 (mp10) cc_final: 0.7592 (mp10) REVERT: N 282 ARG cc_start: 0.6997 (ttt180) cc_final: 0.6764 (mmm-85) REVERT: N 290 THR cc_start: 0.8445 (m) cc_final: 0.7983 (p) REVERT: N 292 GLN cc_start: 0.7107 (tm-30) cc_final: 0.6907 (tm-30) REVERT: N 293 MET cc_start: 0.7793 (mtp) cc_final: 0.7402 (mtp) REVERT: N 295 ASP cc_start: 0.8050 (t70) cc_final: 0.7704 (t70) REVERT: N 300 MET cc_start: 0.7619 (mtt) cc_final: 0.6342 (mpp) REVERT: N 340 TYR cc_start: 0.6774 (m-80) cc_final: 0.6142 (m-10) REVERT: N 350 LYS cc_start: 0.8415 (tmtt) cc_final: 0.7923 (tmtt) REVERT: N 375 GLN cc_start: 0.8516 (pp30) cc_final: 0.7856 (pp30) REVERT: N 379 LYS cc_start: 0.8441 (ptpt) cc_final: 0.8075 (ptpt) REVERT: N 384 GLN cc_start: 0.8303 (mt0) cc_final: 0.7699 (mt0) REVERT: N 385 PHE cc_start: 0.7616 (t80) cc_final: 0.7268 (t80) REVERT: N 388 MET cc_start: 0.7431 (mtp) cc_final: 0.6890 (mtp) REVERT: N 392 LYS cc_start: 0.7823 (mtmm) cc_final: 0.7402 (mtmm) REVERT: N 404 ASP cc_start: 0.7579 (t70) cc_final: 0.7170 (t70) REVERT: N 406 MET cc_start: 0.8013 (mmp) cc_final: 0.7790 (mmp) REVERT: W 19 ASN cc_start: 0.6195 (m-40) cc_final: 0.5935 (m-40) REVERT: W 59 GLU cc_start: 0.6629 (tt0) cc_final: 0.6415 (tm-30) REVERT: W 92 THR cc_start: 0.6889 (m) cc_final: 0.6654 (p) REVERT: W 122 MET cc_start: 0.3712 (mmp) cc_final: 0.2333 (tpt) REVERT: W 134 TYR cc_start: 0.5612 (t80) cc_final: 0.5171 (t80) REVERT: W 198 ASN cc_start: 0.4802 (t0) cc_final: 0.4418 (t0) REVERT: W 228 TYR cc_start: 0.6429 (m-80) cc_final: 0.6121 (m-80) REVERT: W 256 LYS cc_start: 0.8545 (mmmt) cc_final: 0.8257 (mmmt) REVERT: W 259 SER cc_start: 0.7341 (p) cc_final: 0.7012 (p) REVERT: W 263 ASN cc_start: 0.6469 (m-40) cc_final: 0.6083 (m-40) REVERT: W 313 LYS cc_start: 0.8753 (mtmt) cc_final: 0.8497 (mtmt) REVERT: F 11 GLN cc_start: 0.6113 (tp-100) cc_final: 0.5716 (tp-100) REVERT: F 24 TYR cc_start: 0.8226 (m-80) cc_final: 0.7823 (m-80) REVERT: F 31 GLN cc_start: 0.7424 (mt0) cc_final: 0.7140 (mt0) REVERT: F 36 MET cc_start: 0.7004 (tmm) cc_final: 0.6322 (tmm) REVERT: F 73 PHE cc_start: 0.7250 (m-80) cc_final: 0.7000 (m-80) REVERT: F 77 GLU cc_start: 0.7061 (mm-30) cc_final: 0.6484 (mm-30) REVERT: F 83 GLU cc_start: 0.6772 (pm20) cc_final: 0.6107 (pm20) REVERT: F 91 GLN cc_start: 0.6858 (mp10) cc_final: 0.6498 (mp10) REVERT: F 95 PRO cc_start: 0.7788 (Cg_endo) cc_final: 0.7495 (Cg_exo) REVERT: F 97 GLN cc_start: 0.7293 (mp10) cc_final: 0.6212 (mp10) REVERT: F 114 TYR cc_start: 0.7550 (m-80) cc_final: 0.7090 (m-80) REVERT: F 119 GLU cc_start: 0.7821 (pp20) cc_final: 0.7448 (pp20) REVERT: F 155 PHE cc_start: 0.7977 (t80) cc_final: 0.7684 (t80) REVERT: F 169 LYS cc_start: 0.7465 (ptmm) cc_final: 0.7157 (ptmm) REVERT: F 192 ASN cc_start: 0.8236 (m-40) cc_final: 0.7636 (m-40) REVERT: F 206 CYS cc_start: 0.7071 (p) cc_final: 0.6860 (p) REVERT: F 227 ARG cc_start: 0.7654 (mtm-85) cc_final: 0.7347 (mtm-85) REVERT: F 232 ASN cc_start: 0.7941 (m-40) cc_final: 0.7719 (p0) REVERT: F 235 ARG cc_start: 0.7264 (mtt-85) cc_final: 0.6509 (mmm160) REVERT: F 254 LEU cc_start: 0.7624 (tt) cc_final: 0.7264 (tp) REVERT: F 265 LEU cc_start: 0.7324 (mt) cc_final: 0.6841 (mp) REVERT: F 310 LYS cc_start: 0.7862 (mtpt) cc_final: 0.7478 (mtpt) REVERT: F 319 MET cc_start: 0.6618 (mmm) cc_final: 0.5879 (mmm) REVERT: F 348 GLN cc_start: 0.7581 (tt0) cc_final: 0.6984 (tm-30) REVERT: F 349 PHE cc_start: 0.7113 (m-80) cc_final: 0.6861 (m-80) REVERT: F 359 VAL cc_start: 0.8273 (t) cc_final: 0.7839 (p) REVERT: F 363 TYR cc_start: 0.7306 (m-10) cc_final: 0.7083 (m-80) REVERT: F 376 LYS cc_start: 0.7735 (tmtt) cc_final: 0.7375 (tmtt) REVERT: F 382 CYS cc_start: 0.7983 (t) cc_final: 0.7432 (t) REVERT: F 383 MET cc_start: 0.7591 (tpt) cc_final: 0.7156 (tpt) REVERT: F 390 ILE cc_start: 0.7644 (mp) cc_final: 0.7340 (mm) REVERT: F 400 LYS cc_start: 0.6378 (ptpt) cc_final: 0.6001 (ptmt) REVERT: F 401 PHE cc_start: 0.7375 (t80) cc_final: 0.6974 (t80) REVERT: F 410 PHE cc_start: 0.8452 (m-80) cc_final: 0.8169 (m-80) REVERT: F 426 GLU cc_start: 0.7158 (tp30) cc_final: 0.6434 (tp30) REVERT: F 430 ASP cc_start: 0.7738 (t0) cc_final: 0.7044 (t0) REVERT: F 434 LEU cc_start: 0.7670 (mt) cc_final: 0.7282 (mm) REVERT: O 22 GLU cc_start: 0.8268 (mt-10) cc_final: 0.7466 (mt-10) REVERT: O 46 ARG cc_start: 0.8660 (mmm-85) cc_final: 0.8120 (mmm-85) REVERT: O 53 GLU cc_start: 0.7493 (tp30) cc_final: 0.6879 (tp30) REVERT: O 62 ARG cc_start: 0.7563 (ptp-110) cc_final: 0.6883 (ptp-110) REVERT: O 74 ASP cc_start: 0.7310 (m-30) cc_final: 0.7068 (m-30) REVERT: O 117 LEU cc_start: 0.7802 (mm) cc_final: 0.7466 (mt) REVERT: O 121 ARG cc_start: 0.7444 (mtt180) cc_final: 0.6935 (mtt-85) REVERT: O 123 GLU cc_start: 0.7613 (tp30) cc_final: 0.7058 (tp30) REVERT: O 147 MET cc_start: 0.6492 (tmm) cc_final: 0.6015 (tmm) REVERT: O 151 LEU cc_start: 0.7609 (pp) cc_final: 0.7250 (pp) REVERT: O 158 GLU cc_start: 0.7973 (tt0) cc_final: 0.7319 (tt0) REVERT: O 164 MET cc_start: 0.7622 (mmm) cc_final: 0.7420 (mmm) REVERT: O 165 ASN cc_start: 0.7212 (m-40) cc_final: 0.7005 (m-40) REVERT: O 179 VAL cc_start: 0.8428 (m) cc_final: 0.8103 (p) REVERT: O 184 ASN cc_start: 0.7566 (m-40) cc_final: 0.7233 (m-40) REVERT: O 191 GLN cc_start: 0.8419 (mp10) cc_final: 0.8010 (mp-120) REVERT: O 194 GLU cc_start: 0.7581 (mt-10) cc_final: 0.7152 (mt-10) REVERT: O 201 SER cc_start: 0.8178 (m) cc_final: 0.7703 (t) REVERT: O 232 THR cc_start: 0.7927 (p) cc_final: 0.7406 (m) REVERT: O 262 ARG cc_start: 0.7876 (mtt-85) cc_final: 0.7439 (mtm-85) REVERT: O 276 ARG cc_start: 0.7281 (tpm170) cc_final: 0.6181 (tpm170) REVERT: O 280 GLN cc_start: 0.7864 (pp30) cc_final: 0.7460 (pp30) REVERT: O 289 LEU cc_start: 0.8385 (pp) cc_final: 0.8156 (pp) REVERT: O 290 THR cc_start: 0.8246 (m) cc_final: 0.7890 (p) REVERT: O 291 GLN cc_start: 0.7904 (pp30) cc_final: 0.7647 (pp30) REVERT: O 292 GLN cc_start: 0.8011 (tt0) cc_final: 0.7661 (tt0) REVERT: O 293 MET cc_start: 0.7599 (mtp) cc_final: 0.6792 (mtp) REVERT: O 295 ASP cc_start: 0.8146 (t70) cc_final: 0.7759 (t70) REVERT: O 299 MET cc_start: 0.6816 (ppp) cc_final: 0.6609 (tmm) REVERT: O 312 THR cc_start: 0.7081 (t) cc_final: 0.6630 (t) REVERT: O 321 MET cc_start: 0.7293 (pmm) cc_final: 0.6501 (pmm) REVERT: O 324 LYS cc_start: 0.7705 (ttpt) cc_final: 0.7458 (ttpp) REVERT: O 327 ASP cc_start: 0.7900 (m-30) cc_final: 0.6937 (m-30) REVERT: O 330 MET cc_start: 0.7484 (ppp) cc_final: 0.6827 (ppp) REVERT: O 331 LEU cc_start: 0.7955 (tp) cc_final: 0.7390 (tp) REVERT: O 347 ASN cc_start: 0.6941 (t0) cc_final: 0.6640 (t0) REVERT: O 362 LYS cc_start: 0.8035 (mmmt) cc_final: 0.7674 (mmmm) REVERT: O 379 LYS cc_start: 0.8471 (ptpp) cc_final: 0.7765 (ptpp) REVERT: O 406 MET cc_start: 0.6574 (mpp) cc_final: 0.6158 (tpp) REVERT: O 415 MET cc_start: 0.7938 (mmm) cc_final: 0.7248 (mmm) REVERT: O 416 ASN cc_start: 0.7385 (m110) cc_final: 0.7020 (m110) REVERT: O 421 GLU cc_start: 0.7351 (tt0) cc_final: 0.6736 (tt0) REVERT: O 422 TYR cc_start: 0.7879 (m-80) cc_final: 0.7514 (m-80) REVERT: X 12 MET cc_start: 0.4942 (mtm) cc_final: 0.4370 (mtm) REVERT: X 19 ASN cc_start: 0.6502 (m-40) cc_final: 0.5227 (m-40) REVERT: X 22 GLU cc_start: 0.6565 (mt-10) cc_final: 0.6104 (mt-10) REVERT: X 48 PHE cc_start: 0.4863 (m-80) cc_final: 0.4648 (m-80) REVERT: X 105 MET cc_start: 0.5515 (ptt) cc_final: 0.5300 (ppp) REVERT: X 180 MET cc_start: 0.6167 (mmt) cc_final: 0.5921 (mmt) REVERT: X 197 MET cc_start: 0.6141 (tpt) cc_final: 0.5198 (tpt) REVERT: X 207 ILE cc_start: 0.3441 (tt) cc_final: 0.3230 (tt) REVERT: X 250 GLU cc_start: 0.6857 (mm-30) cc_final: 0.6409 (mm-30) REVERT: X 255 ASN cc_start: 0.7393 (m-40) cc_final: 0.7004 (t0) REVERT: X 313 LYS cc_start: 0.7116 (mtmt) cc_final: 0.6844 (mtmt) REVERT: X 323 LYS cc_start: 0.6321 (tptm) cc_final: 0.6073 (tptm) REVERT: G 23 LEU cc_start: 0.8019 (tt) cc_final: 0.7487 (tp) REVERT: G 24 TYR cc_start: 0.7595 (m-80) cc_final: 0.7354 (m-80) REVERT: G 70 ARG cc_start: 0.6663 (mtt90) cc_final: 0.6168 (mtt90) REVERT: G 89 TYR cc_start: 0.5274 (m-80) cc_final: 0.4906 (m-80) REVERT: G 90 ARG cc_start: 0.6744 (mtm-85) cc_final: 0.6283 (mtm-85) REVERT: G 102 LYS cc_start: 0.7346 (tptp) cc_final: 0.6674 (tptp) REVERT: G 118 LYS cc_start: 0.8643 (mmtt) cc_final: 0.8028 (mmtt) REVERT: G 119 GLU cc_start: 0.7464 (pp20) cc_final: 0.7168 (pp20) REVERT: G 127 ARG cc_start: 0.7828 (mmm160) cc_final: 0.7563 (mmm160) REVERT: G 138 LEU cc_start: 0.7112 (tp) cc_final: 0.6905 (tp) REVERT: G 153 SER cc_start: 0.7439 (p) cc_final: 0.7049 (p) REVERT: G 174 GLU cc_start: 0.5844 (mp0) cc_final: 0.5244 (mp0) REVERT: G 175 PHE cc_start: 0.6999 (m-10) cc_final: 0.6503 (m-80) REVERT: G 191 TYR cc_start: 0.6801 (m-80) cc_final: 0.6536 (m-80) REVERT: G 209 MET cc_start: 0.6884 (mpp) cc_final: 0.6266 (mpp) REVERT: G 215 ILE cc_start: 0.7994 (tt) cc_final: 0.7676 (tt) REVERT: G 237 ILE cc_start: 0.6956 (tp) cc_final: 0.6745 (tt) REVERT: G 240 ILE cc_start: 0.7054 (mt) cc_final: 0.6676 (mt) REVERT: G 241 VAL cc_start: 0.7874 (t) cc_final: 0.7641 (p) REVERT: G 265 LEU cc_start: 0.7416 (mt) cc_final: 0.7055 (mt) REVERT: G 283 SER cc_start: 0.8258 (m) cc_final: 0.7690 (p) REVERT: G 296 GLU cc_start: 0.7906 (pm20) cc_final: 0.7561 (pm20) REVERT: G 308 MET cc_start: 0.7734 (mmm) cc_final: 0.7342 (mtt) REVERT: G 319 MET cc_start: 0.5953 (mmm) cc_final: 0.5551 (mmm) REVERT: G 322 CYS cc_start: 0.6754 (p) cc_final: 0.6443 (p) REVERT: G 324 LEU cc_start: 0.7792 (pp) cc_final: 0.7583 (pp) REVERT: G 328 ASP cc_start: 0.6784 (p0) cc_final: 0.6491 (p0) REVERT: G 329 VAL cc_start: 0.8542 (t) cc_final: 0.8113 (p) REVERT: G 344 LYS cc_start: 0.8513 (ttpt) cc_final: 0.8160 (ttpt) REVERT: G 351 ASP cc_start: 0.7110 (p0) cc_final: 0.6905 (p0) REVERT: G 358 LYS cc_start: 0.7051 (tmtt) cc_final: 0.6475 (tmtt) REVERT: G 362 ASN cc_start: 0.7867 (t0) cc_final: 0.7335 (t0) REVERT: G 376 LYS cc_start: 0.7628 (tmtt) cc_final: 0.7399 (tmtt) REVERT: G 378 GLN cc_start: 0.8393 (mm110) cc_final: 0.7669 (mm-40) REVERT: G 401 PHE cc_start: 0.6970 (t80) cc_final: 0.6563 (t80) REVERT: G 407 LYS cc_start: 0.8347 (mmmt) cc_final: 0.7564 (mtpt) REVERT: G 408 ARG cc_start: 0.8116 (mpt180) cc_final: 0.7480 (mpt180) REVERT: G 440 GLU cc_start: 0.8070 (tt0) cc_final: 0.7737 (tt0) REVERT: P 19 LYS cc_start: 0.8337 (mmmt) cc_final: 0.6736 (mmmt) REVERT: P 21 TRP cc_start: 0.8022 (m100) cc_final: 0.7814 (m100) REVERT: P 22 GLU cc_start: 0.7664 (mt-10) cc_final: 0.7314 (mt-10) REVERT: P 46 ARG cc_start: 0.8502 (mmm-85) cc_final: 0.8110 (mmm-85) REVERT: P 53 GLU cc_start: 0.6350 (tp30) cc_final: 0.5850 (tp30) REVERT: P 62 ARG cc_start: 0.7275 (ptp-110) cc_final: 0.6373 (ptp-110) REVERT: P 73 MET cc_start: 0.8469 (mmt) cc_final: 0.8031 (mmt) REVERT: P 74 ASP cc_start: 0.7665 (m-30) cc_final: 0.7386 (m-30) REVERT: P 86 ARG cc_start: 0.7669 (ttm-80) cc_final: 0.7431 (mtp-110) REVERT: P 103 LYS cc_start: 0.7472 (mttt) cc_final: 0.6724 (mmmm) REVERT: P 121 ARG cc_start: 0.7288 (mtt180) cc_final: 0.6991 (mtt90) REVERT: P 123 GLU cc_start: 0.8215 (mm-30) cc_final: 0.7438 (tp30) REVERT: P 147 MET cc_start: 0.5473 (tmm) cc_final: 0.4965 (tmm) REVERT: P 157 GLU cc_start: 0.8213 (pt0) cc_final: 0.7889 (pt0) REVERT: P 196 THR cc_start: 0.6150 (p) cc_final: 0.5592 (t) REVERT: P 209 ASP cc_start: 0.6608 (t0) cc_final: 0.6306 (t0) REVERT: P 228 LEU cc_start: 0.8000 (mm) cc_final: 0.7522 (tp) REVERT: P 237 THR cc_start: 0.8136 (m) cc_final: 0.7464 (t) REVERT: P 257 MET cc_start: 0.6765 (mmm) cc_final: 0.6198 (mmm) REVERT: P 266 PHE cc_start: 0.7690 (m-10) cc_final: 0.7465 (m-10) REVERT: P 276 ARG cc_start: 0.7280 (tpm170) cc_final: 0.6506 (tpm170) REVERT: P 280 GLN cc_start: 0.8108 (mt0) cc_final: 0.7789 (mp10) REVERT: P 293 MET cc_start: 0.7666 (mtp) cc_final: 0.7111 (mtp) REVERT: P 295 ASP cc_start: 0.7757 (t70) cc_final: 0.7490 (t70) REVERT: P 309 ARG cc_start: 0.5212 (mtp180) cc_final: 0.4768 (mtp85) REVERT: P 340 TYR cc_start: 0.7131 (m-80) cc_final: 0.6666 (m-80) REVERT: P 375 GLN cc_start: 0.7704 (pp30) cc_final: 0.6912 (pp30) REVERT: P 379 LYS cc_start: 0.8041 (ptpt) cc_final: 0.7681 (ptpt) REVERT: P 395 LEU cc_start: 0.7326 (mt) cc_final: 0.6965 (mm) REVERT: P 404 ASP cc_start: 0.7699 (m-30) cc_final: 0.7374 (t70) REVERT: P 421 GLU cc_start: 0.7741 (tt0) cc_final: 0.6815 (tt0) REVERT: Z 12 MET cc_start: 0.5936 (mtm) cc_final: 0.5547 (mtm) REVERT: Z 19 ASN cc_start: 0.6576 (m110) cc_final: 0.6211 (m110) REVERT: Z 59 GLU cc_start: 0.7016 (tp30) cc_final: 0.6246 (tp30) REVERT: Z 105 MET cc_start: 0.4756 (ptt) cc_final: 0.4423 (ptt) REVERT: Z 118 TYR cc_start: 0.7426 (t80) cc_final: 0.7055 (t80) REVERT: Z 197 MET cc_start: 0.6511 (tpt) cc_final: 0.6212 (tpt) REVERT: Z 229 LEU cc_start: 0.5844 (mt) cc_final: 0.5627 (mt) REVERT: Z 282 MET cc_start: 0.7224 (tpt) cc_final: 0.6909 (tpt) REVERT: Z 286 LEU cc_start: 0.7251 (mm) cc_final: 0.6825 (mm) REVERT: Z 313 LYS cc_start: 0.8263 (mtmt) cc_final: 0.8026 (mtmt) REVERT: Z 320 GLN cc_start: 0.6604 (mt0) cc_final: 0.6206 (mm-40) REVERT: H 11 GLN cc_start: 0.5307 (tp40) cc_final: 0.5001 (tm-30) REVERT: H 21 TRP cc_start: 0.8010 (m100) cc_final: 0.7322 (m100) REVERT: H 24 TYR cc_start: 0.7544 (m-80) cc_final: 0.7064 (m-80) REVERT: H 70 ARG cc_start: 0.6762 (mtt90) cc_final: 0.6127 (mtt90) REVERT: H 90 ARG cc_start: 0.6712 (mtm-85) cc_final: 0.6354 (mtm-85) REVERT: H 96 GLU cc_start: 0.7253 (tt0) cc_final: 0.6861 (pt0) REVERT: H 107 ASN cc_start: 0.7223 (m-40) cc_final: 0.6929 (m-40) REVERT: H 119 GLU cc_start: 0.7013 (pp20) cc_final: 0.6714 (pp20) REVERT: H 139 GLN cc_start: 0.7714 (mm-40) cc_final: 0.7389 (mp10) REVERT: H 155 PHE cc_start: 0.8211 (t80) cc_final: 0.7693 (t80) REVERT: H 156 THR cc_start: 0.8132 (p) cc_final: 0.7470 (p) REVERT: H 174 GLU cc_start: 0.5977 (mp0) cc_final: 0.5327 (mp0) REVERT: H 175 PHE cc_start: 0.7499 (m-80) cc_final: 0.7000 (m-10) REVERT: H 191 TYR cc_start: 0.7367 (m-80) cc_final: 0.7009 (m-80) REVERT: H 195 LEU cc_start: 0.8091 (mt) cc_final: 0.7609 (tt) REVERT: H 209 MET cc_start: 0.7573 (mpp) cc_final: 0.7328 (mpp) REVERT: H 239 GLN cc_start: 0.7455 (mm110) cc_final: 0.6898 (tp40) REVERT: H 245 THR cc_start: 0.7284 (t) cc_final: 0.6912 (p) REVERT: H 255 ASN cc_start: 0.6450 (m110) cc_final: 0.6243 (m110) REVERT: H 265 LEU cc_start: 0.8016 (mt) cc_final: 0.7756 (mm) REVERT: H 289 HIS cc_start: 0.6858 (t-170) cc_final: 0.6044 (t-170) REVERT: H 290 GLU cc_start: 0.8016 (tp30) cc_final: 0.6749 (mm-30) REVERT: H 293 THR cc_start: 0.7453 (t) cc_final: 0.7167 (p) REVERT: H 312 ASP cc_start: 0.7461 (t0) cc_final: 0.7239 (t70) REVERT: H 319 MET cc_start: 0.6157 (mmm) cc_final: 0.5433 (mmm) REVERT: H 322 CYS cc_start: 0.5934 (p) cc_final: 0.5505 (p) REVERT: H 348 GLN cc_start: 0.6702 (mp10) cc_final: 0.6479 (mp-120) REVERT: H 358 LYS cc_start: 0.7592 (tptt) cc_final: 0.7291 (tptt) REVERT: H 383 MET cc_start: 0.6649 (tpt) cc_final: 0.5919 (tpt) REVERT: H 385 SER cc_start: 0.7360 (m) cc_final: 0.7137 (m) REVERT: H 396 ARG cc_start: 0.7814 (tmm160) cc_final: 0.7392 (ptt90) REVERT: H 404 MET cc_start: 0.7558 (mpp) cc_final: 0.7169 (mpp) REVERT: H 407 LYS cc_start: 0.7416 (mmmt) cc_final: 0.7152 (mttm) REVERT: H 410 PHE cc_start: 0.7559 (m-10) cc_final: 0.7184 (m-80) REVERT: R 2 ARG cc_start: 0.7956 (mtm110) cc_final: 0.7329 (mtm110) REVERT: R 20 PHE cc_start: 0.8523 (t80) cc_final: 0.8093 (t80) REVERT: R 24 ILE cc_start: 0.8280 (pt) cc_final: 0.8079 (pt) REVERT: R 58 LYS cc_start: 0.7912 (tttt) cc_final: 0.7356 (tttt) REVERT: R 103 LYS cc_start: 0.7866 (mmmm) cc_final: 0.7208 (mmmm) REVERT: R 108 GLU cc_start: 0.6552 (mp0) cc_final: 0.5954 (mp0) REVERT: R 121 ARG cc_start: 0.7486 (mtt90) cc_final: 0.7121 (mtm-85) REVERT: R 128 ASP cc_start: 0.7713 (t0) cc_final: 0.7274 (t0) REVERT: R 129 CYS cc_start: 0.8147 (t) cc_final: 0.7834 (t) REVERT: R 147 MET cc_start: 0.6233 (tmm) cc_final: 0.5962 (tmm) REVERT: R 184 ASN cc_start: 0.7591 (m-40) cc_final: 0.7136 (m-40) REVERT: R 192 LEU cc_start: 0.8914 (mm) cc_final: 0.8490 (mm) REVERT: R 199 THR cc_start: 0.7307 (m) cc_final: 0.6311 (p) REVERT: R 200 TYR cc_start: 0.7346 (m-80) cc_final: 0.6168 (m-80) REVERT: R 232 THR cc_start: 0.8546 (p) cc_final: 0.8229 (t) REVERT: R 233 MET cc_start: 0.7654 (mtp) cc_final: 0.7221 (mtp) REVERT: R 251 ARG cc_start: 0.7781 (mtp85) cc_final: 0.6861 (mmm-85) REVERT: R 264 HIS cc_start: 0.7914 (p-80) cc_final: 0.7500 (p-80) REVERT: R 265 PHE cc_start: 0.8462 (m-80) cc_final: 0.7898 (m-80) REVERT: R 266 PHE cc_start: 0.7569 (m-80) cc_final: 0.6762 (m-80) REVERT: R 267 MET cc_start: 0.7847 (mtt) cc_final: 0.7422 (mtt) REVERT: R 292 GLN cc_start: 0.8262 (tt0) cc_final: 0.7436 (tm-30) REVERT: R 293 MET cc_start: 0.7932 (mtp) cc_final: 0.7649 (mtp) REVERT: R 295 ASP cc_start: 0.7759 (t70) cc_final: 0.7358 (t70) REVERT: R 298 ASN cc_start: 0.7160 (t0) cc_final: 0.6671 (t0) REVERT: R 300 MET cc_start: 0.7186 (mtt) cc_final: 0.6507 (mtt) REVERT: R 321 MET cc_start: 0.7667 (ppp) cc_final: 0.6719 (ppp) REVERT: R 375 GLN cc_start: 0.7952 (pt0) cc_final: 0.7264 (tp40) REVERT: R 379 LYS cc_start: 0.8653 (ptpp) cc_final: 0.7889 (pttm) REVERT: R 384 GLN cc_start: 0.8122 (mt0) cc_final: 0.7792 (mt0) REVERT: R 385 PHE cc_start: 0.7554 (t80) cc_final: 0.7104 (t80) REVERT: R 388 MET cc_start: 0.7816 (mtp) cc_final: 0.7137 (mtp) REVERT: R 407 GLU cc_start: 0.7895 (mt-10) cc_final: 0.7604 (mt-10) REVERT: R 415 MET cc_start: 0.7788 (mmm) cc_final: 0.7251 (mmm) REVERT: R 424 GLN cc_start: 0.7425 (tm-30) cc_final: 0.7218 (tm-30) REVERT: a 62 TYR cc_start: 0.2680 (t80) cc_final: 0.2336 (t80) REVERT: a 92 THR cc_start: 0.6795 (m) cc_final: 0.6572 (p) REVERT: a 95 MET cc_start: 0.5955 (mpp) cc_final: 0.5684 (mpp) REVERT: a 122 MET cc_start: 0.5657 (mmp) cc_final: 0.5242 (mmp) REVERT: a 228 TYR cc_start: 0.6343 (m-10) cc_final: 0.5529 (m-10) outliers start: 6 outliers final: 2 residues processed: 3163 average time/residue: 0.8176 time to fit residues: 4346.4498 Evaluate side-chains 2984 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 2982 time to evaluate : 6.929 ------------------------------------------------------------------------------- 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: 20.0000 chunk 964 optimal weight: 0.3980 chunk 879 optimal weight: 0.7980 chunk 937 optimal weight: 4.9990 chunk 963 optimal weight: 0.5980 chunk 564 optimal weight: 9.9990 chunk 408 optimal weight: 1.9990 chunk 736 optimal weight: 4.9990 chunk 287 optimal weight: 8.9990 chunk 847 optimal weight: 0.9990 chunk 886 optimal weight: 9.9990 overall best weight: 0.9584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 307 GLN Q 204 ASN Q 292 GLN Q 298 ASN ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 190 HIS ** J 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 15 GLN B 348 GLN K 298 ASN ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 198 ASN ** C 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 384 GLN U 8 ASN D 192 ASN ** D 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 HIS ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 198 HIS ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 37 HIS ** N 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 139 GLN F 239 GLN F 289 HIS O 28 HIS ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 315 HIS P 195 ASN P 334 GLN P 347 ASN P 424 GLN P 426 GLN ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 263 ASN ** H 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 412 HIS R 165 ASN ** R 256 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 347 ASN ** R 414 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 287 GLN Total number of N/Q/H flips: 31 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6458 moved from start: 0.5435 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.047 85860 Z= 0.147 Angle : 0.564 13.154 116442 Z= 0.278 Chirality : 0.043 0.293 12825 Planarity : 0.003 0.073 15075 Dihedral : 8.800 160.093 12231 Min Nonbonded Distance : 2.067 Molprobity Statistics. All-atom Clashscore : 12.65 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.57 % Favored : 97.43 % Rotamer: Outliers : 0.08 % Allowed : 0.49 % Favored : 99.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.63 (0.08), residues: 10530 helix: -0.08 (0.08), residues: 4230 sheet: 0.01 (0.12), residues: 1755 loop : -0.79 (0.09), residues: 4545 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.029 0.002 TRP N 21 HIS 0.010 0.001 HIS J 6 PHE 0.029 0.001 PHE R 389 TYR 0.020 0.001 TYR H 438 ARG 0.014 0.000 ARG J 390 *********************** 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 3153 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 3146 time to evaluate : 7.102 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: I 22 GLU cc_start: 0.8135 (pt0) cc_final: 0.7759 (pt0) REVERT: I 70 ARG cc_start: 0.7570 (mtt-85) cc_final: 0.7101 (mtt90) REVERT: I 89 TYR cc_start: 0.6137 (m-80) cc_final: 0.5918 (m-80) REVERT: I 90 ARG cc_start: 0.7038 (mtm-85) cc_final: 0.6381 (mtm-85) REVERT: I 108 ASN cc_start: 0.6794 (t0) cc_final: 0.6158 (t0) REVERT: I 116 ILE cc_start: 0.7487 (mm) cc_final: 0.7193 (mm) REVERT: I 118 LYS cc_start: 0.8689 (mmtt) cc_final: 0.7886 (mmtt) REVERT: I 144 PHE cc_start: 0.7427 (m-80) cc_final: 0.6785 (m-80) REVERT: I 158 LEU cc_start: 0.8243 (tp) cc_final: 0.7751 (tp) REVERT: I 192 ASN cc_start: 0.8444 (m-40) cc_final: 0.7717 (m-40) REVERT: I 194 ILE cc_start: 0.8228 (tt) cc_final: 0.7945 (tt) REVERT: I 196 THR cc_start: 0.8339 (t) cc_final: 0.7371 (m) REVERT: I 209 MET cc_start: 0.6823 (mpp) cc_final: 0.6525 (mpp) REVERT: I 255 ASN cc_start: 0.6876 (m110) cc_final: 0.6589 (m-40) REVERT: I 265 LEU cc_start: 0.7682 (mp) cc_final: 0.7332 (mm) REVERT: I 270 ARG cc_start: 0.7088 (mtp180) cc_final: 0.6787 (ttt180) REVERT: I 298 THR cc_start: 0.8088 (p) cc_final: 0.7803 (t) REVERT: I 322 CYS cc_start: 0.6717 (p) cc_final: 0.6501 (p) REVERT: I 325 TYR cc_start: 0.7956 (m-10) cc_final: 0.7694 (m-10) REVERT: I 328 ASP cc_start: 0.6467 (p0) cc_final: 0.6028 (p0) REVERT: I 344 LYS cc_start: 0.8307 (ttpt) cc_final: 0.7996 (ttpt) REVERT: I 348 GLN cc_start: 0.7030 (pt0) cc_final: 0.6517 (mp10) REVERT: I 349 PHE cc_start: 0.8248 (m-80) cc_final: 0.6942 (m-80) REVERT: I 362 ASN cc_start: 0.8104 (t0) cc_final: 0.7525 (t0) REVERT: I 376 LYS cc_start: 0.8114 (tmtt) cc_final: 0.7881 (tmtt) REVERT: I 378 GLN cc_start: 0.7857 (mm110) cc_final: 0.6997 (mm-40) REVERT: I 379 ARG cc_start: 0.8039 (ptp90) cc_final: 0.7810 (ptt-90) REVERT: I 386 ASN cc_start: 0.6523 (t0) cc_final: 0.6197 (t0) REVERT: I 392 GLU cc_start: 0.7347 (pt0) cc_final: 0.7107 (pt0) REVERT: I 396 ARG cc_start: 0.8818 (ptm-80) cc_final: 0.8496 (ptm-80) REVERT: I 400 LYS cc_start: 0.7632 (ptpt) cc_final: 0.7238 (mtmm) REVERT: I 401 PHE cc_start: 0.7685 (t80) cc_final: 0.7169 (t80) REVERT: I 407 LYS cc_start: 0.8316 (mmmt) cc_final: 0.7645 (mmmt) REVERT: I 408 ARG cc_start: 0.8119 (mpt180) cc_final: 0.7677 (mpt180) REVERT: I 410 PHE cc_start: 0.8752 (m-80) cc_final: 0.8218 (m-10) REVERT: I 434 LEU cc_start: 0.7774 (tt) cc_final: 0.7549 (tp) REVERT: I 440 GLU cc_start: 0.8241 (tt0) cc_final: 0.7863 (tt0) REVERT: Q 14 ASN cc_start: 0.8732 (m110) cc_final: 0.8287 (m110) REVERT: Q 73 MET cc_start: 0.8523 (mmt) cc_final: 0.7882 (mmt) REVERT: Q 83 GLN cc_start: 0.6692 (mm-40) cc_final: 0.6206 (mm-40) REVERT: Q 103 LYS cc_start: 0.7391 (mttt) cc_final: 0.6567 (mmmm) REVERT: Q 121 ARG cc_start: 0.7982 (ttm110) cc_final: 0.7580 (ttm110) REVERT: Q 147 MET cc_start: 0.6039 (tmm) cc_final: 0.5398 (tmm) REVERT: Q 149 THR cc_start: 0.8656 (p) cc_final: 0.8382 (p) REVERT: Q 150 LEU cc_start: 0.8025 (tt) cc_final: 0.7628 (mm) REVERT: Q 157 GLU cc_start: 0.8416 (pt0) cc_final: 0.8189 (pt0) REVERT: Q 160 PRO cc_start: 0.8138 (Cg_endo) cc_final: 0.7800 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6176 (mmt-90) cc_final: 0.5353 (mmt180) REVERT: Q 190 HIS cc_start: 0.7602 (t70) cc_final: 0.7089 (t-90) REVERT: Q 205 GLU cc_start: 0.7789 (tm-30) cc_final: 0.7039 (tp30) REVERT: Q 213 ARG cc_start: 0.8235 (ttp80) cc_final: 0.7923 (tmm-80) REVERT: Q 224 ASP cc_start: 0.7519 (m-30) cc_final: 0.7234 (m-30) REVERT: Q 225 LEU cc_start: 0.8562 (mt) cc_final: 0.8080 (mm) REVERT: Q 227 HIS cc_start: 0.7650 (t70) cc_final: 0.7234 (m-70) REVERT: Q 233 MET cc_start: 0.8123 (mtp) cc_final: 0.7662 (mtp) REVERT: Q 240 LEU cc_start: 0.8063 (pp) cc_final: 0.7767 (pp) REVERT: Q 256 ASN cc_start: 0.8467 (m-40) cc_final: 0.8244 (m-40) REVERT: Q 257 MET cc_start: 0.6786 (mmm) cc_final: 0.6442 (mmm) REVERT: Q 266 PHE cc_start: 0.7812 (m-10) cc_final: 0.7469 (m-10) REVERT: Q 276 ARG cc_start: 0.7340 (tpm170) cc_final: 0.6210 (tpm170) REVERT: Q 280 GLN cc_start: 0.7851 (mp-120) cc_final: 0.7177 (mp10) REVERT: Q 290 THR cc_start: 0.8456 (m) cc_final: 0.8209 (m) REVERT: Q 293 MET cc_start: 0.7742 (mtp) cc_final: 0.7012 (mtp) REVERT: Q 300 MET cc_start: 0.7009 (mtt) cc_final: 0.6568 (mmm) REVERT: Q 307 HIS cc_start: 0.7521 (m90) cc_final: 0.7313 (m-70) REVERT: Q 312 THR cc_start: 0.7713 (t) cc_final: 0.6792 (t) REVERT: Q 321 MET cc_start: 0.8060 (ptp) cc_final: 0.7206 (ptp) REVERT: Q 330 MET cc_start: 0.7005 (ppp) cc_final: 0.6562 (ppp) REVERT: Q 332 ASN cc_start: 0.6802 (p0) cc_final: 0.6602 (p0) REVERT: Q 335 ASN cc_start: 0.7161 (m110) cc_final: 0.6850 (m110) REVERT: Q 337 ASN cc_start: 0.7702 (m110) cc_final: 0.6728 (m-40) REVERT: Q 340 TYR cc_start: 0.7228 (m-80) cc_final: 0.6436 (m-80) REVERT: Q 350 LYS cc_start: 0.7626 (tmtt) cc_final: 0.6772 (tmtt) REVERT: Q 354 CYS cc_start: 0.7826 (t) cc_final: 0.7522 (t) REVERT: Q 355 ASP cc_start: 0.7912 (m-30) cc_final: 0.7668 (m-30) REVERT: Q 363 MET cc_start: 0.7012 (ppp) cc_final: 0.6738 (ppp) REVERT: Q 375 GLN cc_start: 0.7979 (pt0) cc_final: 0.7691 (pt0) REVERT: Q 379 LYS cc_start: 0.8434 (ptpt) cc_final: 0.8099 (pttt) REVERT: Q 383 GLU cc_start: 0.7494 (pp20) cc_final: 0.7256 (pp20) REVERT: Q 384 GLN cc_start: 0.8264 (mt0) cc_final: 0.7878 (mt0) REVERT: Q 385 PHE cc_start: 0.7556 (t80) cc_final: 0.7285 (t80) REVERT: Q 392 LYS cc_start: 0.7696 (mtmm) cc_final: 0.7478 (mtmm) REVERT: Q 397 TRP cc_start: 0.7713 (m100) cc_final: 0.7038 (m100) REVERT: Q 401 GLU cc_start: 0.7921 (mm-30) cc_final: 0.7311 (mm-30) REVERT: Q 404 ASP cc_start: 0.7922 (t0) cc_final: 0.7671 (t0) REVERT: Q 417 ASP cc_start: 0.7058 (m-30) cc_final: 0.6835 (m-30) REVERT: Q 421 GLU cc_start: 0.7564 (tt0) cc_final: 0.6909 (tt0) REVERT: Q 424 GLN cc_start: 0.5913 (tp40) cc_final: 0.5372 (tp40) REVERT: Y 19 ASN cc_start: 0.7119 (m-40) cc_final: 0.6695 (m-40) REVERT: Y 59 GLU cc_start: 0.7442 (tp30) cc_final: 0.7193 (tp30) REVERT: Y 122 MET cc_start: 0.5742 (pmm) cc_final: 0.5416 (pmm) REVERT: Y 198 ASN cc_start: 0.6705 (t0) cc_final: 0.5794 (t0) REVERT: Y 226 LYS cc_start: 0.7142 (mtmt) cc_final: 0.6604 (mtmt) REVERT: Y 256 LYS cc_start: 0.7798 (mmmt) cc_final: 0.6870 (mmmt) REVERT: Y 282 MET cc_start: 0.7887 (tpt) cc_final: 0.7411 (tpt) REVERT: Y 313 LYS cc_start: 0.8686 (mtmt) cc_final: 0.8348 (mtmt) REVERT: Y 316 LEU cc_start: 0.7465 (mt) cc_final: 0.7161 (mt) REVERT: Y 320 GLN cc_start: 0.7266 (mt0) cc_final: 0.6957 (mm-40) REVERT: A 22 GLU cc_start: 0.7719 (pt0) cc_final: 0.7371 (pt0) REVERT: A 31 GLN cc_start: 0.7241 (tm-30) cc_final: 0.6774 (tm-30) REVERT: A 77 GLU cc_start: 0.6435 (pt0) cc_final: 0.6170 (pt0) REVERT: A 91 GLN cc_start: 0.7513 (mp10) cc_final: 0.7131 (mp10) REVERT: A 93 PHE cc_start: 0.7050 (m-80) cc_final: 0.6519 (m-80) REVERT: A 96 GLU cc_start: 0.7731 (tt0) cc_final: 0.7147 (tt0) REVERT: A 107 ASN cc_start: 0.7248 (m-40) cc_final: 0.6846 (m-40) REVERT: A 127 ARG cc_start: 0.6933 (mmm-85) cc_final: 0.6405 (mmm-85) REVERT: A 142 LEU cc_start: 0.7594 (pt) cc_final: 0.7018 (pt) REVERT: A 144 PHE cc_start: 0.7014 (m-80) cc_final: 0.6756 (m-80) REVERT: A 155 PHE cc_start: 0.8003 (t80) cc_final: 0.7019 (t80) REVERT: A 163 LEU cc_start: 0.8252 (tp) cc_final: 0.7905 (tp) REVERT: A 172 LYS cc_start: 0.7578 (mtmm) cc_final: 0.7376 (mtmm) REVERT: A 174 GLU cc_start: 0.6632 (mp0) cc_final: 0.5867 (mp0) REVERT: A 175 PHE cc_start: 0.7914 (m-80) cc_final: 0.6754 (m-80) REVERT: A 233 LEU cc_start: 0.8585 (mp) cc_final: 0.8066 (tt) REVERT: A 235 ARG cc_start: 0.8379 (tpp80) cc_final: 0.7996 (tpp80) REVERT: A 259 THR cc_start: 0.7977 (p) cc_final: 0.7447 (p) REVERT: A 290 GLU cc_start: 0.7502 (tp30) cc_final: 0.7091 (tp30) REVERT: A 312 ASP cc_start: 0.7559 (t0) cc_final: 0.7141 (t70) REVERT: A 319 MET cc_start: 0.6262 (mmm) cc_final: 0.5755 (mmm) REVERT: A 322 CYS cc_start: 0.6105 (p) cc_final: 0.5500 (p) REVERT: A 351 ASP cc_start: 0.7954 (p0) cc_final: 0.7404 (p0) REVERT: A 358 LYS cc_start: 0.7288 (tmtt) cc_final: 0.6780 (mmtt) REVERT: A 378 GLN cc_start: 0.8300 (mm110) cc_final: 0.7877 (mm110) REVERT: A 383 MET cc_start: 0.7137 (tpt) cc_final: 0.6451 (tpt) REVERT: A 384 LEU cc_start: 0.7025 (mm) cc_final: 0.6672 (mm) REVERT: A 385 SER cc_start: 0.7670 (m) cc_final: 0.7180 (p) REVERT: A 390 ILE cc_start: 0.7892 (tp) cc_final: 0.7482 (tp) REVERT: A 401 PHE cc_start: 0.8047 (t80) cc_final: 0.7741 (t80) REVERT: A 410 PHE cc_start: 0.7639 (m-10) cc_final: 0.7360 (m-10) REVERT: A 436 LYS cc_start: 0.7578 (tmmt) cc_final: 0.6897 (tmmt) REVERT: A 439 GLU cc_start: 0.8040 (pt0) cc_final: 0.7649 (pt0) REVERT: A 440 GLU cc_start: 0.8293 (tt0) cc_final: 0.7878 (tt0) REVERT: J 20 PHE cc_start: 0.8717 (t80) cc_final: 0.8434 (t80) REVERT: J 22 GLU cc_start: 0.8187 (mt-10) cc_final: 0.7168 (mt-10) REVERT: J 26 ASP cc_start: 0.7338 (m-30) cc_final: 0.6859 (m-30) REVERT: J 58 LYS cc_start: 0.7503 (tttt) cc_final: 0.7251 (tttt) REVERT: J 69 GLU cc_start: 0.7200 (mm-30) cc_final: 0.6997 (mm-30) REVERT: J 73 MET cc_start: 0.8472 (mmt) cc_final: 0.7793 (mmt) REVERT: J 106 TYR cc_start: 0.7973 (m-80) cc_final: 0.7656 (m-10) REVERT: J 108 GLU cc_start: 0.6744 (mp0) cc_final: 0.5875 (mp0) REVERT: J 123 GLU cc_start: 0.8050 (mm-30) cc_final: 0.7577 (mm-30) REVERT: J 147 MET cc_start: 0.5847 (tmm) cc_final: 0.5411 (tmm) REVERT: J 157 GLU cc_start: 0.7839 (pt0) cc_final: 0.7446 (pt0) REVERT: J 191 GLN cc_start: 0.8269 (mp10) cc_final: 0.7807 (mp10) REVERT: J 198 GLU cc_start: 0.6944 (tp30) cc_final: 0.6479 (tp30) REVERT: J 208 TYR cc_start: 0.7624 (m-80) cc_final: 0.7128 (m-80) REVERT: J 237 THR cc_start: 0.8618 (t) cc_final: 0.8295 (p) REVERT: J 240 LEU cc_start: 0.7663 (pt) cc_final: 0.6556 (tp) REVERT: J 257 MET cc_start: 0.6630 (mmm) cc_final: 0.6263 (mmm) REVERT: J 265 PHE cc_start: 0.8495 (m-80) cc_final: 0.7815 (m-80) REVERT: J 270 PHE cc_start: 0.7066 (t80) cc_final: 0.6399 (t80) REVERT: J 273 LEU cc_start: 0.8126 (mt) cc_final: 0.7891 (mt) REVERT: J 292 GLN cc_start: 0.7323 (tt0) cc_final: 0.6579 (tm-30) REVERT: J 295 ASP cc_start: 0.7685 (t70) cc_final: 0.7374 (t0) REVERT: J 300 MET cc_start: 0.7948 (mtm) cc_final: 0.6875 (mpp) REVERT: J 326 VAL cc_start: 0.8585 (t) cc_final: 0.8083 (t) REVERT: J 330 MET cc_start: 0.7094 (ppp) cc_final: 0.6831 (ppp) REVERT: J 337 ASN cc_start: 0.6090 (t0) cc_final: 0.5349 (t0) REVERT: J 343 GLU cc_start: 0.7056 (pm20) cc_final: 0.6816 (pm20) REVERT: J 367 PHE cc_start: 0.7578 (t80) cc_final: 0.7267 (t80) REVERT: J 375 GLN cc_start: 0.8314 (pp30) cc_final: 0.7789 (tm-30) REVERT: J 384 GLN cc_start: 0.8501 (mt0) cc_final: 0.7828 (mm-40) REVERT: J 388 MET cc_start: 0.8058 (mtp) cc_final: 0.7778 (mtp) REVERT: J 389 PHE cc_start: 0.8327 (t80) cc_final: 0.8024 (t80) REVERT: J 390 ARG cc_start: 0.8086 (mtm110) cc_final: 0.7866 (mtm110) REVERT: J 395 LEU cc_start: 0.8542 (mt) cc_final: 0.8131 (mt) REVERT: J 407 GLU cc_start: 0.8119 (mt-10) cc_final: 0.7599 (pm20) REVERT: J 418 LEU cc_start: 0.8582 (tp) cc_final: 0.8373 (tp) REVERT: S 56 THR cc_start: 0.5526 (m) cc_final: 0.5187 (p) REVERT: S 117 ASN cc_start: 0.7362 (m-40) cc_final: 0.7156 (m110) REVERT: S 122 MET cc_start: 0.5549 (mmp) cc_final: 0.4806 (mmp) REVERT: S 211 ASN cc_start: 0.6013 (t0) cc_final: 0.5539 (t0) REVERT: S 229 LEU cc_start: 0.7222 (mt) cc_final: 0.7021 (mt) REVERT: S 256 LYS cc_start: 0.8438 (mmmt) cc_final: 0.8165 (mmmt) REVERT: S 287 GLN cc_start: 0.7455 (pp30) cc_final: 0.7018 (pm20) REVERT: B 11 GLN cc_start: 0.6054 (tp40) cc_final: 0.5525 (tp-100) REVERT: B 96 GLU cc_start: 0.8053 (tt0) cc_final: 0.7436 (tt0) REVERT: B 108 ASN cc_start: 0.6784 (t0) cc_final: 0.6532 (t0) REVERT: B 114 TYR cc_start: 0.8074 (m-80) cc_final: 0.7060 (m-80) REVERT: B 134 GLN cc_start: 0.7966 (tm-30) cc_final: 0.7625 (tm-30) REVERT: B 142 LEU cc_start: 0.7503 (pt) cc_final: 0.7068 (pp) REVERT: B 169 LYS cc_start: 0.7788 (ptmm) cc_final: 0.7401 (ptmm) REVERT: B 193 SER cc_start: 0.8238 (m) cc_final: 0.7930 (p) REVERT: B 235 ARG cc_start: 0.7729 (mtt-85) cc_final: 0.6895 (mmm160) REVERT: B 290 GLU cc_start: 0.7748 (tp30) cc_final: 0.6915 (tp30) REVERT: B 308 MET cc_start: 0.7770 (mmt) cc_final: 0.7115 (mmt) REVERT: B 311 CYS cc_start: 0.7798 (m) cc_final: 0.7512 (m) REVERT: B 340 THR cc_start: 0.8698 (p) cc_final: 0.8452 (m) REVERT: B 341 ILE cc_start: 0.8954 (mm) cc_final: 0.8662 (mm) REVERT: B 379 ARG cc_start: 0.7850 (ptp90) cc_final: 0.7557 (mtm-85) REVERT: B 401 PHE cc_start: 0.7667 (t80) cc_final: 0.7069 (t80) REVERT: B 407 LYS cc_start: 0.8205 (tptt) cc_final: 0.7749 (tptt) REVERT: B 410 PHE cc_start: 0.8393 (m-80) cc_final: 0.8148 (m-80) REVERT: B 426 GLU cc_start: 0.6939 (tp30) cc_final: 0.5979 (tp30) REVERT: B 430 ASP cc_start: 0.7780 (t0) cc_final: 0.7313 (t0) REVERT: B 440 GLU cc_start: 0.8108 (tt0) cc_final: 0.7443 (pt0) REVERT: K 1 MET cc_start: 0.7621 (tpp) cc_final: 0.7352 (tpt) REVERT: K 3 GLU cc_start: 0.7043 (mp0) cc_final: 0.6227 (mp0) REVERT: K 15 GLN cc_start: 0.8748 (mm-40) cc_final: 0.8123 (mm-40) REVERT: K 19 LYS cc_start: 0.8041 (tptt) cc_final: 0.7479 (tptt) REVERT: K 20 PHE cc_start: 0.8774 (t80) cc_final: 0.8552 (t80) REVERT: K 22 GLU cc_start: 0.8335 (mt-10) cc_final: 0.7809 (mt-10) REVERT: K 53 GLU cc_start: 0.7701 (tp30) cc_final: 0.7486 (tp30) REVERT: K 58 LYS cc_start: 0.7856 (mmmm) cc_final: 0.7476 (mmmm) REVERT: K 59 TYR cc_start: 0.6913 (m-80) cc_final: 0.6547 (m-80) REVERT: K 73 MET cc_start: 0.8386 (mmt) cc_final: 0.7203 (mmt) REVERT: K 117 LEU cc_start: 0.7742 (tp) cc_final: 0.7100 (tp) REVERT: K 131 GLN cc_start: 0.6836 (tp-100) cc_final: 0.5991 (tp-100) REVERT: K 164 MET cc_start: 0.7736 (tpt) cc_final: 0.7394 (mmm) REVERT: K 184 ASN cc_start: 0.8003 (m110) cc_final: 0.7623 (m-40) REVERT: K 191 GLN cc_start: 0.8107 (mp10) cc_final: 0.7826 (mp10) REVERT: K 194 GLU cc_start: 0.7396 (pt0) cc_final: 0.7097 (pt0) REVERT: K 227 HIS cc_start: 0.7648 (t-90) cc_final: 0.7224 (t-90) REVERT: K 233 MET cc_start: 0.8107 (mtm) cc_final: 0.7819 (mtm) REVERT: K 250 LEU cc_start: 0.6902 (mm) cc_final: 0.6685 (mm) REVERT: K 257 MET cc_start: 0.7709 (mmm) cc_final: 0.6906 (mmm) REVERT: K 262 ARG cc_start: 0.7908 (mmt90) cc_final: 0.7633 (mtm-85) REVERT: K 264 HIS cc_start: 0.7582 (p-80) cc_final: 0.6778 (p90) REVERT: K 280 GLN cc_start: 0.7908 (mp10) cc_final: 0.7634 (mp10) REVERT: K 289 LEU cc_start: 0.7989 (pp) cc_final: 0.7759 (pp) REVERT: K 290 THR cc_start: 0.7576 (m) cc_final: 0.7240 (p) REVERT: K 293 MET cc_start: 0.7552 (mtp) cc_final: 0.6790 (mtp) REVERT: K 298 ASN cc_start: 0.7456 (t160) cc_final: 0.7113 (t0) REVERT: K 299 MET cc_start: 0.5941 (ptt) cc_final: 0.5330 (ptt) REVERT: K 300 MET cc_start: 0.7111 (mtm) cc_final: 0.5825 (mpp) REVERT: K 321 MET cc_start: 0.7610 (pmm) cc_final: 0.7065 (pmm) REVERT: K 323 MET cc_start: 0.7447 (mmp) cc_final: 0.7211 (mmp) REVERT: K 324 LYS cc_start: 0.8149 (ttpt) cc_final: 0.7846 (ttpp) REVERT: K 325 GLU cc_start: 0.8332 (mt-10) cc_final: 0.7754 (mt-10) REVERT: K 327 ASP cc_start: 0.7355 (m-30) cc_final: 0.6367 (m-30) REVERT: K 330 MET cc_start: 0.6407 (ppp) cc_final: 0.6042 (ppp) REVERT: K 335 ASN cc_start: 0.6950 (m110) cc_final: 0.6749 (m-40) REVERT: K 340 TYR cc_start: 0.8000 (m-80) cc_final: 0.7665 (m-80) REVERT: K 375 GLN cc_start: 0.8662 (pt0) cc_final: 0.7770 (pt0) REVERT: K 379 LYS cc_start: 0.8580 (ptpt) cc_final: 0.8292 (ptpt) REVERT: K 390 ARG cc_start: 0.7910 (ptm-80) cc_final: 0.7685 (ptm-80) REVERT: K 391 ARG cc_start: 0.3291 (ptt180) cc_final: 0.1572 (ptp90) REVERT: K 401 GLU cc_start: 0.7113 (mm-30) cc_final: 0.6217 (mm-30) REVERT: K 404 ASP cc_start: 0.6500 (t0) cc_final: 0.5324 (t0) REVERT: K 406 MET cc_start: 0.7138 (mpp) cc_final: 0.6881 (mpp) REVERT: K 408 PHE cc_start: 0.7966 (m-80) cc_final: 0.7503 (m-80) REVERT: K 414 ASN cc_start: 0.8456 (m-40) cc_final: 0.8028 (m-40) REVERT: K 415 MET cc_start: 0.8275 (mmm) cc_final: 0.7925 (mmm) REVERT: T 22 GLU cc_start: 0.6578 (mt-10) cc_final: 0.6073 (mt-10) REVERT: T 40 VAL cc_start: 0.5989 (t) cc_final: 0.5724 (t) REVERT: T 105 MET cc_start: 0.5312 (ptt) cc_final: 0.4783 (ppp) REVERT: T 125 ASN cc_start: 0.7891 (p0) cc_final: 0.7180 (t0) REVERT: T 217 THR cc_start: 0.5437 (p) cc_final: 0.4902 (p) REVERT: T 250 GLU cc_start: 0.6718 (mm-30) cc_final: 0.6283 (mm-30) REVERT: T 287 GLN cc_start: 0.8018 (pp30) cc_final: 0.7813 (pp30) REVERT: C 83 GLU cc_start: 0.7190 (pm20) cc_final: 0.6850 (pm20) REVERT: C 108 ASN cc_start: 0.6679 (t0) cc_final: 0.6293 (t0) REVERT: C 114 TYR cc_start: 0.8111 (m-80) cc_final: 0.7581 (m-80) REVERT: C 119 GLU cc_start: 0.7645 (pp20) cc_final: 0.7334 (pp20) REVERT: C 161 GLU cc_start: 0.8393 (pt0) cc_final: 0.8111 (pt0) REVERT: C 169 LYS cc_start: 0.7888 (ptmm) cc_final: 0.7523 (ptmm) REVERT: C 172 LYS cc_start: 0.7516 (mtmm) cc_final: 0.7145 (mtmm) REVERT: C 192 ASN cc_start: 0.8465 (m-40) cc_final: 0.7714 (m-40) REVERT: C 227 ARG cc_start: 0.7269 (mtm-85) cc_final: 0.6884 (mmm-85) REVERT: C 232 ASN cc_start: 0.8242 (m-40) cc_final: 0.7897 (p0) REVERT: C 233 LEU cc_start: 0.8544 (mp) cc_final: 0.8127 (tp) REVERT: C 235 ARG cc_start: 0.7730 (mtt-85) cc_final: 0.7206 (mmm-85) REVERT: C 248 LEU cc_start: 0.8945 (mt) cc_final: 0.8446 (pp) REVERT: C 263 THR cc_start: 0.8348 (p) cc_final: 0.8036 (t) REVERT: C 311 CYS cc_start: 0.8100 (m) cc_final: 0.7174 (p) REVERT: C 351 ASP cc_start: 0.7933 (p0) cc_final: 0.7364 (p0) REVERT: C 355 THR cc_start: 0.8419 (p) cc_final: 0.7703 (t) REVERT: C 358 LYS cc_start: 0.7413 (tptt) cc_final: 0.6584 (tptt) REVERT: C 362 ASN cc_start: 0.7890 (t0) cc_final: 0.7409 (t0) REVERT: C 376 LYS cc_start: 0.7666 (tmtt) cc_final: 0.7235 (tmtt) REVERT: C 378 GLN cc_start: 0.8220 (mm-40) cc_final: 0.7382 (mm-40) REVERT: C 379 ARG cc_start: 0.7785 (ptp90) cc_final: 0.7390 (mtm-85) REVERT: C 383 MET cc_start: 0.7218 (tpt) cc_final: 0.6613 (tpt) REVERT: C 400 LYS cc_start: 0.7159 (ptpt) cc_final: 0.6504 (pttm) REVERT: C 401 PHE cc_start: 0.7632 (t80) cc_final: 0.7107 (t80) REVERT: C 402 ASP cc_start: 0.7272 (m-30) cc_final: 0.6873 (m-30) REVERT: C 404 MET cc_start: 0.7506 (mtm) cc_final: 0.7017 (mtm) REVERT: C 407 LYS cc_start: 0.8096 (mmmt) cc_final: 0.7854 (mmmm) REVERT: C 408 ARG cc_start: 0.7794 (mmt180) cc_final: 0.7423 (mmt180) REVERT: C 410 PHE cc_start: 0.8523 (m-80) cc_final: 0.7852 (m-10) REVERT: C 419 MET cc_start: 0.7253 (mmp) cc_final: 0.6766 (mmt) REVERT: C 423 GLU cc_start: 0.7342 (pm20) cc_final: 0.6902 (pm20) REVERT: C 426 GLU cc_start: 0.7384 (tp30) cc_final: 0.6603 (tp30) REVERT: C 430 ASP cc_start: 0.7745 (t0) cc_final: 0.7285 (t0) REVERT: C 440 GLU cc_start: 0.7971 (tt0) cc_final: 0.7424 (pt0) REVERT: L 2 ARG cc_start: 0.8207 (mtm110) cc_final: 0.7523 (mmm160) REVERT: L 4 ILE cc_start: 0.8385 (mp) cc_final: 0.7879 (mp) REVERT: L 22 GLU cc_start: 0.8438 (mt-10) cc_final: 0.8027 (mt-10) REVERT: L 24 ILE cc_start: 0.9010 (pt) cc_final: 0.8579 (pt) REVERT: L 45 GLU cc_start: 0.7794 (pp20) cc_final: 0.7443 (pp20) REVERT: L 53 GLU cc_start: 0.7564 (tp30) cc_final: 0.6594 (tp30) REVERT: L 59 TYR cc_start: 0.6219 (m-80) cc_final: 0.5829 (m-80) REVERT: L 66 VAL cc_start: 0.7830 (m) cc_final: 0.7381 (p) REVERT: L 73 MET cc_start: 0.8270 (mmt) cc_final: 0.7539 (mmt) REVERT: L 74 ASP cc_start: 0.7500 (m-30) cc_final: 0.7293 (m-30) REVERT: L 121 ARG cc_start: 0.7912 (mmm-85) cc_final: 0.7639 (mmm-85) REVERT: L 122 LYS cc_start: 0.8110 (pptt) cc_final: 0.7607 (pptt) REVERT: L 136 THR cc_start: 0.8250 (t) cc_final: 0.7737 (p) REVERT: L 147 MET cc_start: 0.6324 (tmm) cc_final: 0.5817 (tmm) REVERT: L 166 THR cc_start: 0.7169 (t) cc_final: 0.6928 (p) REVERT: L 184 ASN cc_start: 0.7753 (m-40) cc_final: 0.7443 (m-40) REVERT: L 187 LEU cc_start: 0.8665 (mt) cc_final: 0.8214 (mt) REVERT: L 194 GLU cc_start: 0.7099 (pt0) cc_final: 0.6752 (pt0) REVERT: L 224 ASP cc_start: 0.7232 (m-30) cc_final: 0.7007 (m-30) REVERT: L 237 THR cc_start: 0.8090 (t) cc_final: 0.7621 (t) REVERT: L 241 ARG cc_start: 0.7626 (mtm110) cc_final: 0.6297 (ttp-110) REVERT: L 257 MET cc_start: 0.7923 (mmm) cc_final: 0.6974 (mmm) REVERT: L 265 PHE cc_start: 0.8223 (m-80) cc_final: 0.7361 (m-80) REVERT: L 270 PHE cc_start: 0.6767 (t80) cc_final: 0.6437 (t80) REVERT: L 276 ARG cc_start: 0.6905 (tpm170) cc_final: 0.6324 (tpm170) REVERT: L 293 MET cc_start: 0.7489 (mtp) cc_final: 0.7014 (mtp) REVERT: L 299 MET cc_start: 0.7460 (ppp) cc_final: 0.7198 (ppp) REVERT: L 300 MET cc_start: 0.7423 (mtm) cc_final: 0.6875 (mtm) REVERT: L 321 MET cc_start: 0.7935 (ppp) cc_final: 0.7073 (ppp) REVERT: L 323 MET cc_start: 0.7869 (mmp) cc_final: 0.7612 (mmp) REVERT: L 324 LYS cc_start: 0.8257 (ttpt) cc_final: 0.7922 (ttpp) REVERT: L 325 GLU cc_start: 0.8096 (mt-10) cc_final: 0.7683 (mt-10) REVERT: L 327 ASP cc_start: 0.7707 (m-30) cc_final: 0.6744 (m-30) REVERT: L 330 MET cc_start: 0.6847 (ppp) cc_final: 0.6519 (ppp) REVERT: L 331 LEU cc_start: 0.7885 (tp) cc_final: 0.7604 (tp) REVERT: L 335 ASN cc_start: 0.7459 (m110) cc_final: 0.6994 (m110) REVERT: L 347 ASN cc_start: 0.7687 (t0) cc_final: 0.7031 (t0) REVERT: L 350 LYS cc_start: 0.8240 (tptp) cc_final: 0.7891 (tptp) REVERT: L 353 VAL cc_start: 0.8030 (p) cc_final: 0.7683 (m) REVERT: L 362 LYS cc_start: 0.7762 (mmmt) cc_final: 0.7459 (mmmm) REVERT: L 375 GLN cc_start: 0.8381 (pt0) cc_final: 0.7692 (pt0) REVERT: L 380 ARG cc_start: 0.7593 (tmt170) cc_final: 0.6884 (tmt170) REVERT: L 395 LEU cc_start: 0.7476 (mt) cc_final: 0.6867 (mt) REVERT: L 401 GLU cc_start: 0.6901 (mm-30) cc_final: 0.6218 (mm-30) REVERT: L 408 PHE cc_start: 0.8120 (m-80) cc_final: 0.7439 (m-80) REVERT: L 414 ASN cc_start: 0.7983 (m-40) cc_final: 0.7433 (m-40) REVERT: L 416 ASN cc_start: 0.7646 (m110) cc_final: 0.7381 (m110) REVERT: L 421 GLU cc_start: 0.8198 (tt0) cc_final: 0.7279 (tt0) REVERT: L 422 TYR cc_start: 0.8082 (m-80) cc_final: 0.7654 (m-80) REVERT: U 32 LYS cc_start: 0.6683 (tttt) cc_final: 0.6417 (tttt) REVERT: U 44 LYS cc_start: 0.6398 (pttm) cc_final: 0.5778 (pttm) REVERT: U 46 TYR cc_start: 0.6573 (m-80) cc_final: 0.5908 (m-80) REVERT: U 105 MET cc_start: 0.5933 (ptt) cc_final: 0.5552 (ptt) REVERT: U 116 PHE cc_start: 0.5759 (m-10) cc_final: 0.5423 (m-10) REVERT: U 250 GLU cc_start: 0.6979 (mm-30) cc_final: 0.6635 (mm-30) REVERT: U 252 LYS cc_start: 0.7639 (mttm) cc_final: 0.7415 (mtpp) REVERT: U 256 LYS cc_start: 0.7710 (mmmt) cc_final: 0.7255 (mmmm) REVERT: U 323 LYS cc_start: 0.7229 (tptm) cc_final: 0.6702 (tptm) REVERT: D 11 GLN cc_start: 0.4812 (tm-30) cc_final: 0.4572 (tm-30) REVERT: D 21 TRP cc_start: 0.8416 (m100) cc_final: 0.8169 (m100) REVERT: D 22 GLU cc_start: 0.7855 (pt0) cc_final: 0.7230 (pt0) REVERT: D 35 GLN cc_start: 0.7267 (mp10) cc_final: 0.6964 (mp10) REVERT: D 56 ASN cc_start: 0.7146 (t0) cc_final: 0.6707 (t0) REVERT: D 70 ARG cc_start: 0.7688 (mtt-85) cc_final: 0.6739 (mpt-90) REVERT: D 93 PHE cc_start: 0.6817 (m-80) cc_final: 0.6556 (m-80) REVERT: D 102 LYS cc_start: 0.7492 (tptp) cc_final: 0.6763 (tptp) REVERT: D 122 ASP cc_start: 0.7351 (p0) cc_final: 0.7141 (p0) REVERT: D 172 LYS cc_start: 0.6961 (mtmm) cc_final: 0.6333 (mtmm) REVERT: D 174 GLU cc_start: 0.6724 (mp0) cc_final: 0.5712 (mp0) REVERT: D 185 THR cc_start: 0.8004 (p) cc_final: 0.7355 (t) REVERT: D 197 THR cc_start: 0.8835 (m) cc_final: 0.8433 (t) REVERT: D 198 HIS cc_start: 0.8616 (t-90) cc_final: 0.8319 (t-90) REVERT: D 209 MET cc_start: 0.7136 (mpp) cc_final: 0.6704 (mpp) REVERT: D 232 ASN cc_start: 0.8882 (m-40) cc_final: 0.8634 (m-40) REVERT: D 265 LEU cc_start: 0.7559 (mp) cc_final: 0.7158 (mp) REVERT: D 272 HIS cc_start: 0.6904 (p90) cc_final: 0.5962 (p90) REVERT: D 286 LYS cc_start: 0.8078 (mtpp) cc_final: 0.7760 (ttmt) REVERT: D 293 THR cc_start: 0.7958 (t) cc_final: 0.7678 (t) REVERT: D 296 GLU cc_start: 0.8006 (pm20) cc_final: 0.7330 (pm20) REVERT: D 308 MET cc_start: 0.7478 (mmm) cc_final: 0.7157 (mtp) REVERT: D 319 MET cc_start: 0.6155 (mmm) cc_final: 0.5510 (mmm) REVERT: D 338 ILE cc_start: 0.8747 (pt) cc_final: 0.8181 (tp) REVERT: D 344 LYS cc_start: 0.8373 (ttpt) cc_final: 0.7598 (ttpt) REVERT: D 348 GLN cc_start: 0.7420 (pp30) cc_final: 0.6532 (pp30) REVERT: D 349 PHE cc_start: 0.7993 (m-80) cc_final: 0.7336 (m-80) REVERT: D 358 LYS cc_start: 0.6844 (tmtt) cc_final: 0.6160 (tppt) REVERT: D 384 LEU cc_start: 0.7925 (mm) cc_final: 0.7527 (mm) REVERT: D 396 ARG cc_start: 0.8715 (ptt90) cc_final: 0.8387 (ptt90) REVERT: D 398 ASP cc_start: 0.6320 (t0) cc_final: 0.5616 (t0) REVERT: D 401 PHE cc_start: 0.7532 (t80) cc_final: 0.6925 (t80) REVERT: D 407 LYS cc_start: 0.8594 (mmmt) cc_final: 0.8336 (mmmt) REVERT: D 419 MET cc_start: 0.5912 (mmp) cc_final: 0.5620 (mmt) REVERT: D 430 ASP cc_start: 0.7507 (t0) cc_final: 0.7223 (t0) REVERT: D 434 LEU cc_start: 0.7755 (tt) cc_final: 0.7476 (mm) REVERT: D 440 GLU cc_start: 0.8114 (tt0) cc_final: 0.7765 (tt0) REVERT: M 3 GLU cc_start: 0.6267 (mp0) cc_final: 0.5462 (mp0) REVERT: M 14 ASN cc_start: 0.8430 (m110) cc_final: 0.7949 (m110) REVERT: M 22 GLU cc_start: 0.8217 (mt-10) cc_final: 0.7480 (mt-10) REVERT: M 26 ASP cc_start: 0.7450 (m-30) cc_final: 0.7114 (m-30) REVERT: M 59 TYR cc_start: 0.8067 (m-80) cc_final: 0.7844 (m-80) REVERT: M 62 ARG cc_start: 0.8301 (ptp-110) cc_final: 0.7731 (ptp-110) REVERT: M 73 MET cc_start: 0.8240 (mmt) cc_final: 0.7317 (mmt) REVERT: M 121 ARG cc_start: 0.8196 (ttm110) cc_final: 0.7861 (ttm-80) REVERT: M 122 LYS cc_start: 0.8162 (ptmm) cc_final: 0.7816 (ptmm) REVERT: M 123 GLU cc_start: 0.7927 (mm-30) cc_final: 0.7628 (mm-30) REVERT: M 133 PHE cc_start: 0.6752 (m-80) cc_final: 0.4944 (m-80) REVERT: M 147 MET cc_start: 0.5483 (tmm) cc_final: 0.4899 (tmm) REVERT: M 158 GLU cc_start: 0.8074 (tt0) cc_final: 0.6165 (tt0) REVERT: M 159 TYR cc_start: 0.8096 (m-10) cc_final: 0.7516 (m-10) REVERT: M 179 VAL cc_start: 0.8410 (t) cc_final: 0.8128 (t) REVERT: M 181 GLU cc_start: 0.8340 (pt0) cc_final: 0.7520 (pt0) REVERT: M 204 ASN cc_start: 0.8461 (m-40) cc_final: 0.8052 (m-40) REVERT: M 267 MET cc_start: 0.8017 (mtt) cc_final: 0.7292 (mtt) REVERT: M 270 PHE cc_start: 0.7245 (t80) cc_final: 0.6849 (t80) REVERT: M 290 THR cc_start: 0.8187 (m) cc_final: 0.7670 (p) REVERT: M 292 GLN cc_start: 0.8288 (tt0) cc_final: 0.7906 (tt0) REVERT: M 293 MET cc_start: 0.7628 (mtp) cc_final: 0.7026 (mtp) REVERT: M 295 ASP cc_start: 0.8166 (t70) cc_final: 0.7773 (t70) REVERT: M 299 MET cc_start: 0.6448 (ptt) cc_final: 0.6178 (ptt) REVERT: M 300 MET cc_start: 0.7540 (mtt) cc_final: 0.6902 (mmm) REVERT: M 321 MET cc_start: 0.7561 (ptp) cc_final: 0.6775 (ptp) REVERT: M 327 ASP cc_start: 0.7449 (m-30) cc_final: 0.6657 (m-30) REVERT: M 330 MET cc_start: 0.7430 (ppp) cc_final: 0.6963 (ppp) REVERT: M 337 ASN cc_start: 0.7256 (m-40) cc_final: 0.6738 (m-40) REVERT: M 340 TYR cc_start: 0.7185 (m-80) cc_final: 0.6524 (m-80) REVERT: M 344 TRP cc_start: 0.7188 (p-90) cc_final: 0.6829 (p-90) REVERT: M 353 VAL cc_start: 0.8137 (m) cc_final: 0.7675 (p) REVERT: M 380 ARG cc_start: 0.7944 (ptp-170) cc_final: 0.7388 (ptp-170) REVERT: M 383 GLU cc_start: 0.7500 (pp20) cc_final: 0.7077 (pp20) REVERT: M 384 GLN cc_start: 0.8261 (mt0) cc_final: 0.7750 (mt0) REVERT: M 388 MET cc_start: 0.8025 (mtp) cc_final: 0.7754 (mtp) REVERT: M 404 ASP cc_start: 0.8120 (t0) cc_final: 0.7883 (t70) REVERT: M 415 MET cc_start: 0.8018 (mmm) cc_final: 0.7239 (mmm) REVERT: M 421 GLU cc_start: 0.7466 (tt0) cc_final: 0.6711 (tt0) REVERT: V 12 MET cc_start: 0.6837 (mpp) cc_final: 0.6526 (mpp) REVERT: V 19 ASN cc_start: 0.6901 (m-40) cc_final: 0.6550 (m-40) REVERT: V 33 PHE cc_start: 0.6521 (m-80) cc_final: 0.5974 (m-10) REVERT: V 87 THR cc_start: 0.6159 (p) cc_final: 0.5792 (p) REVERT: V 197 MET cc_start: 0.6998 (tpt) cc_final: 0.6093 (tpt) REVERT: V 198 ASN cc_start: 0.6174 (t0) cc_final: 0.5722 (t0) REVERT: V 256 LYS cc_start: 0.8116 (mmmt) cc_final: 0.7371 (mmmt) REVERT: V 313 LYS cc_start: 0.8395 (mtmt) cc_final: 0.8054 (mtmt) REVERT: E 22 GLU cc_start: 0.7711 (pt0) cc_final: 0.7412 (pt0) REVERT: E 57 THR cc_start: 0.8584 (t) cc_final: 0.7711 (m) REVERT: E 70 ARG cc_start: 0.6962 (mtt90) cc_final: 0.5690 (mtt-85) REVERT: E 90 ARG cc_start: 0.6790 (mtm-85) cc_final: 0.6510 (mmm-85) REVERT: E 93 PHE cc_start: 0.6905 (m-10) cc_final: 0.6679 (m-10) REVERT: E 108 ASN cc_start: 0.7599 (t0) cc_final: 0.7019 (t0) REVERT: E 127 ARG cc_start: 0.7131 (mmm-85) cc_final: 0.6849 (mmm160) REVERT: E 129 ARG cc_start: 0.8008 (ttm-80) cc_final: 0.7417 (ttp-110) REVERT: E 141 PHE cc_start: 0.7218 (m-80) cc_final: 0.6700 (m-10) REVERT: E 144 PHE cc_start: 0.7652 (m-80) cc_final: 0.7235 (m-80) REVERT: E 172 LYS cc_start: 0.7875 (mtmm) cc_final: 0.7433 (mtmm) REVERT: E 175 PHE cc_start: 0.7770 (m-80) cc_final: 0.7001 (m-10) REVERT: E 220 ARG cc_start: 0.7177 (tpp80) cc_final: 0.6771 (tpp80) REVERT: E 222 ASN cc_start: 0.7816 (m110) cc_final: 0.7426 (m110) REVERT: E 225 ILE cc_start: 0.6526 (mm) cc_final: 0.6144 (tp) REVERT: E 235 ARG cc_start: 0.8605 (tpp80) cc_final: 0.8038 (mmm-85) REVERT: E 239 GLN cc_start: 0.7854 (tp-100) cc_final: 0.7389 (tp40) REVERT: E 248 LEU cc_start: 0.8769 (mt) cc_final: 0.8163 (mm) REVERT: E 249 ARG cc_start: 0.7887 (mtt90) cc_final: 0.7586 (ptp-110) REVERT: E 255 ASN cc_start: 0.6626 (m110) cc_final: 0.6155 (m-40) REVERT: E 256 VAL cc_start: 0.7879 (m) cc_final: 0.7232 (p) REVERT: E 260 GLU cc_start: 0.8011 (mm-30) cc_final: 0.7709 (mm-30) REVERT: E 286 LYS cc_start: 0.8291 (mttp) cc_final: 0.7867 (mtpt) REVERT: E 288 TYR cc_start: 0.7631 (m-80) cc_final: 0.7119 (m-80) REVERT: E 290 GLU cc_start: 0.7422 (tp30) cc_final: 0.6576 (tp30) REVERT: E 306 ASN cc_start: 0.7909 (t0) cc_final: 0.6787 (t0) REVERT: E 308 MET cc_start: 0.8253 (mmm) cc_final: 0.7302 (mmm) REVERT: E 319 MET cc_start: 0.6556 (mmm) cc_final: 0.5898 (mmm) REVERT: E 334 VAL cc_start: 0.8452 (m) cc_final: 0.8143 (t) REVERT: E 342 LYS cc_start: 0.8864 (mtpp) cc_final: 0.8495 (mtmm) REVERT: E 358 LYS cc_start: 0.7442 (tptp) cc_final: 0.7082 (tppt) REVERT: E 378 GLN cc_start: 0.8086 (mm110) cc_final: 0.7622 (mm110) REVERT: E 379 ARG cc_start: 0.8083 (ptp90) cc_final: 0.7818 (mtm110) REVERT: E 382 CYS cc_start: 0.7545 (t) cc_final: 0.7261 (t) REVERT: E 383 MET cc_start: 0.6615 (tpt) cc_final: 0.5983 (tpt) REVERT: E 384 LEU cc_start: 0.7195 (mm) cc_final: 0.6792 (mm) REVERT: E 396 ARG cc_start: 0.8403 (ttp80) cc_final: 0.8046 (ttp80) REVERT: E 401 PHE cc_start: 0.8070 (t80) cc_final: 0.7664 (t80) REVERT: E 431 MET cc_start: 0.8210 (tpp) cc_final: 0.7394 (ptt) REVERT: E 439 GLU cc_start: 0.7895 (pt0) cc_final: 0.7675 (pt0) REVERT: N 2 ARG cc_start: 0.8005 (mtm180) cc_final: 0.7632 (mtm110) REVERT: N 20 PHE cc_start: 0.8388 (t80) cc_final: 0.8132 (t80) REVERT: N 24 ILE cc_start: 0.8500 (pt) cc_final: 0.8296 (pt) REVERT: N 46 ARG cc_start: 0.8207 (mmt-90) cc_final: 0.7584 (mmt-90) REVERT: N 47 ILE cc_start: 0.8166 (tt) cc_final: 0.7945 (tt) REVERT: N 58 LYS cc_start: 0.7371 (tttt) cc_final: 0.7116 (tttt) REVERT: N 73 MET cc_start: 0.8367 (mmt) cc_final: 0.8012 (mmt) REVERT: N 83 GLN cc_start: 0.7559 (mm-40) cc_final: 0.6845 (mm-40) REVERT: N 100 ASN cc_start: 0.7709 (t0) cc_final: 0.7427 (t0) REVERT: N 121 ARG cc_start: 0.8076 (ttm-80) cc_final: 0.7682 (ttm-80) REVERT: N 131 GLN cc_start: 0.6494 (tp40) cc_final: 0.5826 (tp40) REVERT: N 143 THR cc_start: 0.8477 (t) cc_final: 0.7579 (t) REVERT: N 157 GLU cc_start: 0.8127 (pt0) cc_final: 0.7814 (pt0) REVERT: N 161 ASP cc_start: 0.7956 (p0) cc_final: 0.7294 (p0) REVERT: N 164 MET cc_start: 0.7072 (mmp) cc_final: 0.6014 (mmp) REVERT: N 181 GLU cc_start: 0.7775 (pt0) cc_final: 0.7405 (pt0) REVERT: N 197 ASP cc_start: 0.6721 (m-30) cc_final: 0.6345 (m-30) REVERT: N 200 TYR cc_start: 0.7826 (m-80) cc_final: 0.6375 (m-80) REVERT: N 215 LEU cc_start: 0.7546 (tp) cc_final: 0.7324 (tp) REVERT: N 233 MET cc_start: 0.8078 (mtp) cc_final: 0.7502 (mtp) REVERT: N 257 MET cc_start: 0.7026 (mmm) cc_final: 0.6286 (mmm) REVERT: N 261 PRO cc_start: 0.8330 (Cg_exo) cc_final: 0.7600 (Cg_endo) REVERT: N 264 HIS cc_start: 0.7741 (p-80) cc_final: 0.7073 (p-80) REVERT: N 265 PHE cc_start: 0.8552 (m-80) cc_final: 0.7973 (m-80) REVERT: N 267 MET cc_start: 0.7794 (mtt) cc_final: 0.7555 (mtt) REVERT: N 270 PHE cc_start: 0.7291 (t80) cc_final: 0.6878 (t80) REVERT: N 276 ARG cc_start: 0.7452 (tpm170) cc_final: 0.6326 (tpm170) REVERT: N 278 SER cc_start: 0.8178 (m) cc_final: 0.7872 (m) REVERT: N 280 GLN cc_start: 0.7996 (mp10) cc_final: 0.7458 (mp10) REVERT: N 281 TYR cc_start: 0.7239 (m-80) cc_final: 0.6815 (m-80) REVERT: N 282 ARG cc_start: 0.7172 (ttt180) cc_final: 0.6764 (mmm-85) REVERT: N 290 THR cc_start: 0.8493 (m) cc_final: 0.8023 (p) REVERT: N 293 MET cc_start: 0.7822 (mtp) cc_final: 0.7446 (mtp) REVERT: N 295 ASP cc_start: 0.7991 (t70) cc_final: 0.7665 (t70) REVERT: N 299 MET cc_start: 0.6963 (ptt) cc_final: 0.6705 (ptt) REVERT: N 300 MET cc_start: 0.7617 (mtt) cc_final: 0.6291 (mpp) REVERT: N 318 ARG cc_start: 0.6026 (mtp180) cc_final: 0.5607 (tpp80) REVERT: N 340 TYR cc_start: 0.6740 (m-80) cc_final: 0.6101 (m-10) REVERT: N 350 LYS cc_start: 0.8302 (tmtt) cc_final: 0.7916 (tmtt) REVERT: N 375 GLN cc_start: 0.8526 (pp30) cc_final: 0.8185 (pp30) REVERT: N 379 LYS cc_start: 0.8428 (ptpt) cc_final: 0.8129 (ptpt) REVERT: N 384 GLN cc_start: 0.8305 (mt0) cc_final: 0.7691 (mt0) REVERT: N 388 MET cc_start: 0.7452 (mtp) cc_final: 0.6872 (mtp) REVERT: N 392 LYS cc_start: 0.7843 (mtmm) cc_final: 0.7398 (mtmm) REVERT: N 404 ASP cc_start: 0.7591 (t70) cc_final: 0.7239 (t70) REVERT: N 406 MET cc_start: 0.8154 (mmp) cc_final: 0.7850 (mmp) REVERT: W 19 ASN cc_start: 0.6263 (m-40) cc_final: 0.6046 (m-40) REVERT: W 92 THR cc_start: 0.6969 (m) cc_final: 0.6671 (p) REVERT: W 95 MET cc_start: 0.6661 (mpp) cc_final: 0.6286 (mpp) REVERT: W 134 TYR cc_start: 0.5618 (t80) cc_final: 0.5166 (t80) REVERT: W 198 ASN cc_start: 0.4436 (t0) cc_final: 0.4057 (t0) REVERT: W 228 TYR cc_start: 0.6444 (m-80) cc_final: 0.6127 (m-80) REVERT: W 256 LYS cc_start: 0.8565 (mmmt) cc_final: 0.8281 (mmmt) REVERT: W 259 SER cc_start: 0.7311 (p) cc_final: 0.7007 (p) REVERT: W 263 ASN cc_start: 0.6452 (m-40) cc_final: 0.6125 (m-40) REVERT: W 311 GLU cc_start: 0.7864 (pp20) cc_final: 0.6864 (pm20) REVERT: W 313 LYS cc_start: 0.8766 (mtmt) cc_final: 0.8437 (mtmt) REVERT: F 11 GLN cc_start: 0.5970 (tp-100) cc_final: 0.5601 (tp-100) REVERT: F 24 TYR cc_start: 0.8315 (m-80) cc_final: 0.7862 (m-80) REVERT: F 31 GLN cc_start: 0.7486 (mt0) cc_final: 0.7146 (mt0) REVERT: F 36 MET cc_start: 0.7015 (tmm) cc_final: 0.6310 (tmm) REVERT: F 73 PHE cc_start: 0.7119 (m-80) cc_final: 0.6889 (m-80) REVERT: F 83 GLU cc_start: 0.6657 (pm20) cc_final: 0.5977 (pm20) REVERT: F 108 ASN cc_start: 0.6857 (t0) cc_final: 0.6454 (t0) REVERT: F 114 TYR cc_start: 0.7676 (m-80) cc_final: 0.7090 (m-80) REVERT: F 119 GLU cc_start: 0.7840 (pp20) cc_final: 0.7482 (pp20) REVERT: F 155 PHE cc_start: 0.7922 (t80) cc_final: 0.7172 (t80) REVERT: F 169 LYS cc_start: 0.7498 (ptmm) cc_final: 0.7211 (ptmm) REVERT: F 192 ASN cc_start: 0.8269 (m-40) cc_final: 0.7654 (m-40) REVERT: F 227 ARG cc_start: 0.7692 (mtm-85) cc_final: 0.7277 (mtm-85) REVERT: F 232 ASN cc_start: 0.7703 (m-40) cc_final: 0.7470 (p0) REVERT: F 235 ARG cc_start: 0.7308 (mtt-85) cc_final: 0.6553 (mmm160) REVERT: F 254 LEU cc_start: 0.7586 (tt) cc_final: 0.7177 (tp) REVERT: F 260 GLU cc_start: 0.7687 (mp0) cc_final: 0.7351 (mp0) REVERT: F 265 LEU cc_start: 0.7223 (mt) cc_final: 0.6728 (mp) REVERT: F 283 SER cc_start: 0.8124 (m) cc_final: 0.7799 (p) REVERT: F 310 LYS cc_start: 0.7857 (mtpt) cc_final: 0.7439 (mtpt) REVERT: F 311 CYS cc_start: 0.7917 (m) cc_final: 0.7704 (m) REVERT: F 348 GLN cc_start: 0.7616 (tt0) cc_final: 0.6914 (tm-30) REVERT: F 349 PHE cc_start: 0.7169 (m-80) cc_final: 0.6878 (m-80) REVERT: F 363 TYR cc_start: 0.7367 (m-10) cc_final: 0.7165 (m-80) REVERT: F 383 MET cc_start: 0.7444 (tpt) cc_final: 0.7107 (tpt) REVERT: F 400 LYS cc_start: 0.6343 (ptpt) cc_final: 0.5906 (ptmt) REVERT: F 401 PHE cc_start: 0.7393 (t80) cc_final: 0.6924 (t80) REVERT: F 410 PHE cc_start: 0.8456 (m-80) cc_final: 0.8181 (m-80) REVERT: F 426 GLU cc_start: 0.7195 (tp30) cc_final: 0.6464 (tp30) REVERT: F 430 ASP cc_start: 0.7672 (t0) cc_final: 0.6920 (t0) REVERT: F 434 LEU cc_start: 0.7656 (mt) cc_final: 0.7297 (mm) REVERT: F 440 GLU cc_start: 0.7916 (tt0) cc_final: 0.7437 (pt0) REVERT: O 22 GLU cc_start: 0.8242 (mt-10) cc_final: 0.7455 (mt-10) REVERT: O 46 ARG cc_start: 0.8575 (mmm-85) cc_final: 0.8004 (mmm-85) REVERT: O 53 GLU cc_start: 0.7496 (tp30) cc_final: 0.6890 (tp30) REVERT: O 62 ARG cc_start: 0.7618 (ptp-110) cc_final: 0.6900 (ptp-110) REVERT: O 74 ASP cc_start: 0.7311 (m-30) cc_final: 0.7077 (m-30) REVERT: O 106 TYR cc_start: 0.7644 (m-80) cc_final: 0.7153 (m-80) REVERT: O 108 GLU cc_start: 0.6237 (mp0) cc_final: 0.5723 (mp0) REVERT: O 117 LEU cc_start: 0.7823 (mm) cc_final: 0.7319 (tp) REVERT: O 121 ARG cc_start: 0.7431 (mtt180) cc_final: 0.6798 (mtt-85) REVERT: O 123 GLU cc_start: 0.7628 (tp30) cc_final: 0.7090 (tp30) REVERT: O 147 MET cc_start: 0.6510 (tmm) cc_final: 0.5985 (tmm) REVERT: O 158 GLU cc_start: 0.8051 (tt0) cc_final: 0.7454 (tt0) REVERT: O 164 MET cc_start: 0.7634 (mmm) cc_final: 0.7424 (mmm) REVERT: O 179 VAL cc_start: 0.8468 (m) cc_final: 0.8159 (p) REVERT: O 184 ASN cc_start: 0.7589 (m-40) cc_final: 0.7207 (m-40) REVERT: O 191 GLN cc_start: 0.8438 (mp10) cc_final: 0.8214 (mp-120) REVERT: O 194 GLU cc_start: 0.7600 (mt-10) cc_final: 0.7219 (mt-10) REVERT: O 201 SER cc_start: 0.8087 (m) cc_final: 0.7752 (t) REVERT: O 232 THR cc_start: 0.7773 (p) cc_final: 0.7397 (m) REVERT: O 242 PHE cc_start: 0.8450 (m-80) cc_final: 0.8241 (m-10) REVERT: O 262 ARG cc_start: 0.7873 (mtt-85) cc_final: 0.7450 (mtm-85) REVERT: O 263 LEU cc_start: 0.8098 (mt) cc_final: 0.7856 (mt) REVERT: O 276 ARG cc_start: 0.7307 (tpm170) cc_final: 0.6213 (tpm170) REVERT: O 280 GLN cc_start: 0.7873 (pp30) cc_final: 0.7477 (pp30) REVERT: O 289 LEU cc_start: 0.8389 (pp) cc_final: 0.8158 (pp) REVERT: O 290 THR cc_start: 0.8232 (m) cc_final: 0.7860 (p) REVERT: O 291 GLN cc_start: 0.7913 (pp30) cc_final: 0.7658 (pp30) REVERT: O 292 GLN cc_start: 0.8011 (tt0) cc_final: 0.7648 (tt0) REVERT: O 293 MET cc_start: 0.7588 (mtp) cc_final: 0.6762 (mtp) REVERT: O 295 ASP cc_start: 0.8181 (t70) cc_final: 0.7750 (t70) REVERT: O 312 THR cc_start: 0.6953 (t) cc_final: 0.6310 (t) REVERT: O 324 LYS cc_start: 0.7832 (ttpt) cc_final: 0.7543 (ttpp) REVERT: O 327 ASP cc_start: 0.7891 (m-30) cc_final: 0.6953 (m-30) REVERT: O 330 MET cc_start: 0.7482 (ppp) cc_final: 0.6858 (ppp) REVERT: O 331 LEU cc_start: 0.7986 (tp) cc_final: 0.7449 (tp) REVERT: O 347 ASN cc_start: 0.7008 (t0) cc_final: 0.6702 (t0) REVERT: O 379 LYS cc_start: 0.8544 (ptpp) cc_final: 0.7793 (ptpp) REVERT: O 406 MET cc_start: 0.6730 (mpp) cc_final: 0.6245 (tpp) REVERT: O 415 MET cc_start: 0.7945 (mmm) cc_final: 0.7342 (mmm) REVERT: O 416 ASN cc_start: 0.7349 (m110) cc_final: 0.7023 (m110) REVERT: O 421 GLU cc_start: 0.7293 (tt0) cc_final: 0.6718 (tt0) REVERT: X 12 MET cc_start: 0.4948 (mtm) cc_final: 0.4414 (mtm) REVERT: X 19 ASN cc_start: 0.6695 (m-40) cc_final: 0.5438 (m-40) REVERT: X 22 GLU cc_start: 0.6580 (mt-10) cc_final: 0.6127 (mt-10) REVERT: X 105 MET cc_start: 0.5451 (ptt) cc_final: 0.5085 (ppp) REVERT: X 180 MET cc_start: 0.6114 (mmt) cc_final: 0.5901 (mmt) REVERT: X 197 MET cc_start: 0.6162 (tpt) cc_final: 0.5207 (tpt) REVERT: X 250 GLU cc_start: 0.6894 (mm-30) cc_final: 0.6441 (mm-30) REVERT: X 255 ASN cc_start: 0.7406 (m-40) cc_final: 0.6907 (t0) REVERT: X 258 LEU cc_start: 0.6587 (pp) cc_final: 0.5960 (mp) REVERT: X 313 LYS cc_start: 0.7135 (mtmt) cc_final: 0.6881 (mtmt) REVERT: X 323 LYS cc_start: 0.6320 (tptm) cc_final: 0.6080 (tptm) REVERT: G 23 LEU cc_start: 0.8076 (tt) cc_final: 0.7633 (tp) REVERT: G 56 ASN cc_start: 0.6687 (t0) cc_final: 0.6445 (t0) REVERT: G 89 TYR cc_start: 0.5215 (m-80) cc_final: 0.4662 (m-80) REVERT: G 90 ARG cc_start: 0.6754 (mtm-85) cc_final: 0.6329 (mtm-85) REVERT: G 102 LYS cc_start: 0.7194 (tptp) cc_final: 0.6780 (tptp) REVERT: G 118 LYS cc_start: 0.8650 (mmtt) cc_final: 0.8038 (mmtt) REVERT: G 119 GLU cc_start: 0.7423 (pp20) cc_final: 0.7133 (pp20) REVERT: G 127 ARG cc_start: 0.7853 (mmm160) cc_final: 0.7585 (mmm160) REVERT: G 138 LEU cc_start: 0.7127 (tp) cc_final: 0.6899 (tp) REVERT: G 153 SER cc_start: 0.7521 (p) cc_final: 0.7012 (p) REVERT: G 155 PHE cc_start: 0.7948 (t80) cc_final: 0.7745 (t80) REVERT: G 174 GLU cc_start: 0.5910 (mp0) cc_final: 0.5075 (mp0) REVERT: G 175 PHE cc_start: 0.7038 (m-10) cc_final: 0.6573 (m-10) REVERT: G 191 TYR cc_start: 0.6803 (m-80) cc_final: 0.6526 (m-80) REVERT: G 209 MET cc_start: 0.6901 (mpp) cc_final: 0.6270 (mpp) REVERT: G 230 TYR cc_start: 0.5514 (m-80) cc_final: 0.4990 (m-80) REVERT: G 237 ILE cc_start: 0.6532 (tp) cc_final: 0.6327 (tt) REVERT: G 240 ILE cc_start: 0.7181 (mt) cc_final: 0.6878 (mt) REVERT: G 263 THR cc_start: 0.8420 (p) cc_final: 0.7988 (p) REVERT: G 283 SER cc_start: 0.8258 (m) cc_final: 0.7635 (p) REVERT: G 308 MET cc_start: 0.7730 (mmm) cc_final: 0.7265 (mtt) REVERT: G 311 CYS cc_start: 0.8052 (m) cc_final: 0.7564 (m) REVERT: G 319 MET cc_start: 0.5959 (mmm) cc_final: 0.5638 (mmm) REVERT: G 322 CYS cc_start: 0.6802 (p) cc_final: 0.6542 (p) REVERT: G 324 LEU cc_start: 0.7764 (pp) cc_final: 0.7548 (pp) REVERT: G 328 ASP cc_start: 0.6824 (p0) cc_final: 0.6590 (p0) REVERT: G 329 VAL cc_start: 0.8562 (t) cc_final: 0.8117 (p) REVERT: G 334 VAL cc_start: 0.8597 (m) cc_final: 0.8040 (t) REVERT: G 344 LYS cc_start: 0.8513 (ttpt) cc_final: 0.8150 (ttpt) REVERT: G 358 LYS cc_start: 0.7093 (tmtt) cc_final: 0.6556 (tmtt) REVERT: G 362 ASN cc_start: 0.7908 (t0) cc_final: 0.7285 (t0) REVERT: G 376 LYS cc_start: 0.7634 (tmtt) cc_final: 0.7394 (tmtt) REVERT: G 378 GLN cc_start: 0.8540 (mm110) cc_final: 0.7726 (mm-40) REVERT: G 401 PHE cc_start: 0.6974 (t80) cc_final: 0.6609 (t80) REVERT: G 407 LYS cc_start: 0.8403 (mmmt) cc_final: 0.7717 (mtpt) REVERT: G 408 ARG cc_start: 0.8247 (mpt180) cc_final: 0.7895 (mpt180) REVERT: G 440 GLU cc_start: 0.7970 (tt0) cc_final: 0.7696 (tt0) REVERT: P 19 LYS cc_start: 0.8435 (mmmt) cc_final: 0.6978 (mmmt) REVERT: P 22 GLU cc_start: 0.7675 (mt-10) cc_final: 0.7360 (mt-10) REVERT: P 53 GLU cc_start: 0.6126 (tp30) cc_final: 0.5570 (tp30) REVERT: P 73 MET cc_start: 0.8440 (mmt) cc_final: 0.7954 (mmt) REVERT: P 74 ASP cc_start: 0.7663 (m-30) cc_final: 0.7389 (m-30) REVERT: P 86 ARG cc_start: 0.7694 (ttm-80) cc_final: 0.7406 (mtp-110) REVERT: P 103 LYS cc_start: 0.7492 (mttt) cc_final: 0.6714 (mmmm) REVERT: P 121 ARG cc_start: 0.7304 (mtt180) cc_final: 0.7006 (mtt90) REVERT: P 123 GLU cc_start: 0.8355 (mm-30) cc_final: 0.7622 (mm-30) REVERT: P 147 MET cc_start: 0.5480 (tmm) cc_final: 0.4962 (tmm) REVERT: P 157 GLU cc_start: 0.8204 (pt0) cc_final: 0.7888 (pt0) REVERT: P 166 THR cc_start: 0.6828 (p) cc_final: 0.6469 (p) REVERT: P 181 GLU cc_start: 0.7668 (pt0) cc_final: 0.7391 (pt0) REVERT: P 196 THR cc_start: 0.6211 (p) cc_final: 0.5868 (t) REVERT: P 209 ASP cc_start: 0.6559 (t0) cc_final: 0.6275 (t0) REVERT: P 228 LEU cc_start: 0.7970 (mm) cc_final: 0.7498 (tp) REVERT: P 237 THR cc_start: 0.8186 (m) cc_final: 0.7564 (t) REVERT: P 253 LEU cc_start: 0.8191 (mt) cc_final: 0.7894 (tt) REVERT: P 257 MET cc_start: 0.6778 (mmm) cc_final: 0.6131 (mmm) REVERT: P 266 PHE cc_start: 0.7764 (m-10) cc_final: 0.7560 (m-10) REVERT: P 276 ARG cc_start: 0.7339 (tpm170) cc_final: 0.6574 (tpm170) REVERT: P 280 GLN cc_start: 0.8126 (mt0) cc_final: 0.7776 (mp10) REVERT: P 293 MET cc_start: 0.7692 (mtp) cc_final: 0.7164 (mtp) REVERT: P 295 ASP cc_start: 0.7630 (t70) cc_final: 0.7330 (t70) REVERT: P 296 SER cc_start: 0.8389 (m) cc_final: 0.8029 (t) REVERT: P 309 ARG cc_start: 0.5226 (mtp180) cc_final: 0.4735 (mtp85) REVERT: P 340 TYR cc_start: 0.7102 (m-80) cc_final: 0.6748 (m-80) REVERT: P 363 MET cc_start: 0.7311 (ppp) cc_final: 0.7089 (ppp) REVERT: P 375 GLN cc_start: 0.7700 (pp30) cc_final: 0.6933 (pp30) REVERT: P 379 LYS cc_start: 0.8105 (ptpt) cc_final: 0.7728 (ptpt) REVERT: P 386 THR cc_start: 0.8276 (m) cc_final: 0.8048 (m) REVERT: P 390 ARG cc_start: 0.7566 (ptt-90) cc_final: 0.6879 (ptt-90) REVERT: P 395 LEU cc_start: 0.7342 (mt) cc_final: 0.6988 (mm) REVERT: P 404 ASP cc_start: 0.7730 (m-30) cc_final: 0.7366 (t70) REVERT: P 421 GLU cc_start: 0.7744 (tt0) cc_final: 0.6779 (tt0) REVERT: Z 12 MET cc_start: 0.5969 (mtm) cc_final: 0.5616 (mtm) REVERT: Z 19 ASN cc_start: 0.6628 (m110) cc_final: 0.6242 (m110) REVERT: Z 59 GLU cc_start: 0.6928 (tp30) cc_final: 0.6570 (tp30) REVERT: Z 105 MET cc_start: 0.4762 (ptt) cc_final: 0.4468 (ptt) REVERT: Z 118 TYR cc_start: 0.7470 (t80) cc_final: 0.7068 (t80) REVERT: Z 197 MET cc_start: 0.6610 (tpt) cc_final: 0.6339 (tpt) REVERT: Z 229 LEU cc_start: 0.5840 (mt) cc_final: 0.5612 (mt) REVERT: Z 282 MET cc_start: 0.7322 (tpt) cc_final: 0.6931 (tpt) REVERT: Z 286 LEU cc_start: 0.7257 (mm) cc_final: 0.6801 (mm) REVERT: Z 313 LYS cc_start: 0.8288 (mtmt) cc_final: 0.8045 (mtmt) REVERT: Z 320 GLN cc_start: 0.6614 (mt0) cc_final: 0.6233 (mm-40) REVERT: H 11 GLN cc_start: 0.5383 (tp40) cc_final: 0.5057 (tm-30) REVERT: H 21 TRP cc_start: 0.8031 (m100) cc_final: 0.7285 (m100) REVERT: H 24 TYR cc_start: 0.7538 (m-80) cc_final: 0.7090 (m-80) REVERT: H 70 ARG cc_start: 0.6663 (mtt90) cc_final: 0.6036 (mtt90) REVERT: H 90 ARG cc_start: 0.6715 (mtm-85) cc_final: 0.6371 (mtm-85) REVERT: H 107 ASN cc_start: 0.7230 (m-40) cc_final: 0.6962 (m-40) REVERT: H 119 GLU cc_start: 0.6865 (pp20) cc_final: 0.6653 (pp20) REVERT: H 139 GLN cc_start: 0.7707 (mm-40) cc_final: 0.7335 (mp10) REVERT: H 155 PHE cc_start: 0.8257 (t80) cc_final: 0.7622 (t80) REVERT: H 174 GLU cc_start: 0.5956 (mp0) cc_final: 0.5510 (mp0) REVERT: H 175 PHE cc_start: 0.7543 (m-80) cc_final: 0.7048 (m-10) REVERT: H 191 TYR cc_start: 0.7382 (m-80) cc_final: 0.7032 (m-80) REVERT: H 195 LEU cc_start: 0.8224 (mt) cc_final: 0.7682 (tt) REVERT: H 209 MET cc_start: 0.7540 (mpp) cc_final: 0.7333 (mpp) REVERT: H 239 GLN cc_start: 0.7475 (mm110) cc_final: 0.6884 (tp40) REVERT: H 245 THR cc_start: 0.7260 (t) cc_final: 0.6851 (p) REVERT: H 265 LEU cc_start: 0.8034 (mt) cc_final: 0.7752 (mm) REVERT: H 289 HIS cc_start: 0.6840 (t-170) cc_final: 0.6006 (t-170) REVERT: H 290 GLU cc_start: 0.8045 (tp30) cc_final: 0.6792 (mm-30) REVERT: H 293 THR cc_start: 0.7407 (t) cc_final: 0.7161 (p) REVERT: H 312 ASP cc_start: 0.7578 (t0) cc_final: 0.7332 (t70) REVERT: H 319 MET cc_start: 0.6122 (mmm) cc_final: 0.5473 (mmm) REVERT: H 348 GLN cc_start: 0.6702 (mp10) cc_final: 0.6480 (mp-120) REVERT: H 397 LEU cc_start: 0.7769 (mm) cc_final: 0.7358 (pp) REVERT: H 404 MET cc_start: 0.7583 (mpp) cc_final: 0.7155 (mpp) REVERT: H 407 LYS cc_start: 0.7434 (mmmt) cc_final: 0.7163 (mttm) REVERT: H 410 PHE cc_start: 0.7594 (m-10) cc_final: 0.7248 (m-80) REVERT: H 430 ASP cc_start: 0.7853 (t0) cc_final: 0.7582 (t0) REVERT: R 2 ARG cc_start: 0.7969 (mtm110) cc_final: 0.7397 (mtm110) REVERT: R 20 PHE cc_start: 0.8530 (t80) cc_final: 0.8105 (t80) REVERT: R 24 ILE cc_start: 0.8349 (pt) cc_final: 0.8149 (pt) REVERT: R 37 HIS cc_start: 0.8037 (m-70) cc_final: 0.7775 (m90) REVERT: R 46 ARG cc_start: 0.8166 (mmm160) cc_final: 0.7938 (mmm160) REVERT: R 103 LYS cc_start: 0.7857 (mmmm) cc_final: 0.7139 (mmmm) REVERT: R 108 GLU cc_start: 0.6533 (mp0) cc_final: 0.5937 (mp0) REVERT: R 121 ARG cc_start: 0.7508 (mtt90) cc_final: 0.7141 (mtm-85) REVERT: R 128 ASP cc_start: 0.7625 (t0) cc_final: 0.7306 (t0) REVERT: R 129 CYS cc_start: 0.8199 (t) cc_final: 0.7884 (t) REVERT: R 147 MET cc_start: 0.6316 (tmm) cc_final: 0.6052 (tmm) REVERT: R 165 ASN cc_start: 0.7016 (OUTLIER) cc_final: 0.6795 (m-40) REVERT: R 182 PRO cc_start: 0.7668 (Cg_exo) cc_final: 0.6904 (Cg_endo) REVERT: R 200 TYR cc_start: 0.7382 (m-80) cc_final: 0.6138 (m-80) REVERT: R 208 TYR cc_start: 0.7841 (m-80) cc_final: 0.7508 (m-80) REVERT: R 232 THR cc_start: 0.8543 (p) cc_final: 0.8240 (t) REVERT: R 233 MET cc_start: 0.7669 (mtp) cc_final: 0.7235 (mtp) REVERT: R 251 ARG cc_start: 0.7704 (mtp85) cc_final: 0.6628 (mmm-85) REVERT: R 257 MET cc_start: 0.6931 (mpp) cc_final: 0.6452 (mpp) REVERT: R 264 HIS cc_start: 0.7869 (p-80) cc_final: 0.7648 (p-80) REVERT: R 266 PHE cc_start: 0.7504 (m-80) cc_final: 0.6761 (m-80) REVERT: R 267 MET cc_start: 0.8034 (mtt) cc_final: 0.7477 (mtt) REVERT: R 268 PRO cc_start: 0.8330 (Cg_endo) cc_final: 0.7487 (Cg_exo) REVERT: R 292 GLN cc_start: 0.8260 (tt0) cc_final: 0.7542 (tm-30) REVERT: R 293 MET cc_start: 0.7931 (mtp) cc_final: 0.7623 (mtp) REVERT: R 295 ASP cc_start: 0.7729 (t70) cc_final: 0.7414 (t70) REVERT: R 298 ASN cc_start: 0.7309 (t0) cc_final: 0.7002 (t0) REVERT: R 300 MET cc_start: 0.7198 (mtt) cc_final: 0.6594 (mtt) REVERT: R 321 MET cc_start: 0.7674 (ppp) cc_final: 0.6719 (ppp) REVERT: R 326 VAL cc_start: 0.8971 (p) cc_final: 0.8518 (m) REVERT: R 372 THR cc_start: 0.7956 (p) cc_final: 0.7695 (p) REVERT: R 375 GLN cc_start: 0.8015 (pt0) cc_final: 0.7175 (tp40) REVERT: R 379 LYS cc_start: 0.8650 (ptpp) cc_final: 0.7695 (pttm) REVERT: R 384 GLN cc_start: 0.8057 (mt0) cc_final: 0.7650 (mt0) REVERT: R 385 PHE cc_start: 0.7461 (t80) cc_final: 0.7082 (t80) REVERT: R 388 MET cc_start: 0.7629 (mtp) cc_final: 0.6867 (mtp) REVERT: R 404 ASP cc_start: 0.6262 (t0) cc_final: 0.6019 (t70) REVERT: R 407 GLU cc_start: 0.7940 (mt-10) cc_final: 0.7607 (mt-10) REVERT: R 415 MET cc_start: 0.7772 (mmm) cc_final: 0.7254 (mmm) REVERT: R 424 GLN cc_start: 0.7508 (tm-30) cc_final: 0.7183 (tm-30) REVERT: a 92 THR cc_start: 0.6593 (m) cc_final: 0.6345 (p) REVERT: a 95 MET cc_start: 0.5948 (mpp) cc_final: 0.5653 (mpp) REVERT: a 122 MET cc_start: 0.5219 (mmp) cc_final: 0.4970 (mmp) REVERT: a 228 TYR cc_start: 0.6358 (m-10) cc_final: 0.5483 (m-10) outliers start: 7 outliers final: 3 residues processed: 3147 average time/residue: 0.8141 time to fit residues: 4301.6948 Evaluate side-chains 2991 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 2987 time to evaluate : 7.198 ------------------------------------------------------------------------------- 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: 2.9990 chunk 615 optimal weight: 0.0770 chunk 991 optimal weight: 5.9990 chunk 605 optimal weight: 0.2980 chunk 470 optimal weight: 7.9990 chunk 689 optimal weight: 0.9990 chunk 1040 optimal weight: 8.9990 chunk 957 optimal weight: 9.9990 chunk 828 optimal weight: 3.9990 chunk 85 optimal weight: 6.9990 chunk 639 optimal weight: 0.9980 overall best weight: 1.0742 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** I 8 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 292 GLN ** Q 298 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 63 ASN Y 160 ASN ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 190 HIS B 348 GLN K 28 HIS ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 335 ASN ** C 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 8 ASN ** D 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 HIS M 414 ASN ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 37 HIS ** W 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 139 GLN F 222 ASN F 239 GLN F 289 HIS O 28 HIS ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 347 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 198 HIS ** G 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 306 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 307 HIS P 334 GLN P 347 ASN P 424 GLN ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 15 GLN ** H 107 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 378 GLN R 347 ASN Total number of N/Q/H flips: 25 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6466 moved from start: 0.5640 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.045 85860 Z= 0.153 Angle : 0.581 10.346 116442 Z= 0.287 Chirality : 0.044 0.304 12825 Planarity : 0.003 0.068 15075 Dihedral : 8.808 163.405 12231 Min Nonbonded Distance : 2.017 Molprobity Statistics. All-atom Clashscore : 13.50 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.82 % Favored : 97.18 % Rotamer: Outliers : 0.05 % Allowed : 0.28 % Favored : 99.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.61 (0.08), residues: 10530 helix: -0.07 (0.08), residues: 4221 sheet: 0.07 (0.13), residues: 1755 loop : -0.78 (0.09), residues: 4554 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.046 0.002 TRP H 413 HIS 0.011 0.001 HIS J 6 PHE 0.028 0.001 PHE M 389 TYR 0.022 0.001 TYR H 438 ARG 0.014 0.000 ARG J 390 ********************** 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 3173 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 3168 time to evaluate : 7.165 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: I 22 GLU cc_start: 0.8128 (pt0) cc_final: 0.7691 (pt0) REVERT: I 70 ARG cc_start: 0.7564 (mtt-85) cc_final: 0.7223 (mtt90) REVERT: I 90 ARG cc_start: 0.6999 (mtm-85) cc_final: 0.6393 (mtm-85) REVERT: I 107 ASN cc_start: 0.6566 (m110) cc_final: 0.6040 (m110) REVERT: I 108 ASN cc_start: 0.6838 (t0) cc_final: 0.6165 (t0) REVERT: I 116 ILE cc_start: 0.7457 (mm) cc_final: 0.7143 (mm) REVERT: I 118 LYS cc_start: 0.8720 (mmtt) cc_final: 0.7904 (mmtt) REVERT: I 158 LEU cc_start: 0.8228 (tp) cc_final: 0.7785 (tp) REVERT: I 192 ASN cc_start: 0.8514 (m-40) cc_final: 0.7774 (m-40) REVERT: I 194 ILE cc_start: 0.8237 (tt) cc_final: 0.7956 (tt) REVERT: I 196 THR cc_start: 0.8425 (t) cc_final: 0.7546 (m) REVERT: I 209 MET cc_start: 0.6928 (mpp) cc_final: 0.6592 (mpp) REVERT: I 265 LEU cc_start: 0.7658 (mp) cc_final: 0.7267 (mm) REVERT: I 270 ARG cc_start: 0.7091 (mtp180) cc_final: 0.6767 (ttt180) REVERT: I 306 ASN cc_start: 0.8020 (t0) cc_final: 0.7642 (t0) REVERT: I 319 MET cc_start: 0.6866 (mmm) cc_final: 0.6408 (mmm) REVERT: I 325 TYR cc_start: 0.8028 (m-10) cc_final: 0.7743 (m-10) REVERT: I 328 ASP cc_start: 0.6439 (p0) cc_final: 0.6006 (p0) REVERT: I 344 LYS cc_start: 0.8254 (ttpt) cc_final: 0.7950 (ttpt) REVERT: I 348 GLN cc_start: 0.7830 (pt0) cc_final: 0.6748 (mt0) REVERT: I 349 PHE cc_start: 0.7970 (m-80) cc_final: 0.7138 (m-80) REVERT: I 358 LYS cc_start: 0.7072 (tmtt) cc_final: 0.6154 (tppt) REVERT: I 362 ASN cc_start: 0.8099 (t0) cc_final: 0.7523 (t0) REVERT: I 376 LYS cc_start: 0.8094 (tmtt) cc_final: 0.7854 (tmtt) REVERT: I 378 GLN cc_start: 0.7866 (mm110) cc_final: 0.6973 (mm-40) REVERT: I 379 ARG cc_start: 0.8023 (ptp90) cc_final: 0.7742 (ptt-90) REVERT: I 386 ASN cc_start: 0.6644 (t0) cc_final: 0.6333 (t0) REVERT: I 392 GLU cc_start: 0.7336 (pt0) cc_final: 0.7093 (pt0) REVERT: I 396 ARG cc_start: 0.8771 (ptm-80) cc_final: 0.8502 (ptm-80) REVERT: I 400 LYS cc_start: 0.7679 (ptpt) cc_final: 0.7297 (mtmm) REVERT: I 401 PHE cc_start: 0.7672 (t80) cc_final: 0.7182 (t80) REVERT: I 407 LYS cc_start: 0.8311 (mmmt) cc_final: 0.7645 (mmmt) REVERT: I 408 ARG cc_start: 0.8170 (mpt180) cc_final: 0.7694 (mpt180) REVERT: I 410 PHE cc_start: 0.8767 (m-80) cc_final: 0.8240 (m-10) REVERT: I 434 LEU cc_start: 0.8021 (tt) cc_final: 0.7788 (tp) REVERT: I 440 GLU cc_start: 0.8222 (tt0) cc_final: 0.7833 (tt0) REVERT: Q 14 ASN cc_start: 0.8755 (m110) cc_final: 0.8333 (m110) REVERT: Q 22 GLU cc_start: 0.8268 (mt-10) cc_final: 0.7863 (mt-10) REVERT: Q 24 ILE cc_start: 0.8835 (pt) cc_final: 0.8587 (pt) REVERT: Q 73 MET cc_start: 0.8521 (mmt) cc_final: 0.7913 (mmt) REVERT: Q 83 GLN cc_start: 0.6702 (mm-40) cc_final: 0.6276 (mm-40) REVERT: Q 100 ASN cc_start: 0.7605 (t0) cc_final: 0.6665 (m-40) REVERT: Q 103 LYS cc_start: 0.7376 (mttt) cc_final: 0.6563 (mmmm) REVERT: Q 106 TYR cc_start: 0.7866 (m-80) cc_final: 0.7340 (m-10) REVERT: Q 121 ARG cc_start: 0.8025 (ttm110) cc_final: 0.7708 (ttm110) REVERT: Q 147 MET cc_start: 0.6093 (tmm) cc_final: 0.5466 (tmm) REVERT: Q 149 THR cc_start: 0.8551 (p) cc_final: 0.8309 (p) REVERT: Q 150 LEU cc_start: 0.8008 (tt) cc_final: 0.7594 (mm) REVERT: Q 157 GLU cc_start: 0.8366 (pt0) cc_final: 0.8165 (pt0) REVERT: Q 160 PRO cc_start: 0.8101 (Cg_endo) cc_final: 0.7798 (Cg_exo) REVERT: Q 162 ARG cc_start: 0.6110 (mmt-90) cc_final: 0.5799 (mmt-90) REVERT: Q 184 ASN cc_start: 0.7721 (m-40) cc_final: 0.6471 (t0) REVERT: Q 190 HIS cc_start: 0.7374 (t70) cc_final: 0.6796 (t-90) REVERT: Q 204 ASN cc_start: 0.8440 (m-40) cc_final: 0.8196 (m-40) REVERT: Q 205 GLU cc_start: 0.7806 (tm-30) cc_final: 0.6950 (tp30) REVERT: Q 213 ARG cc_start: 0.8242 (ttp80) cc_final: 0.7508 (tmm-80) REVERT: Q 224 ASP cc_start: 0.7495 (m-30) cc_final: 0.7291 (m-30) REVERT: Q 225 LEU cc_start: 0.8524 (mt) cc_final: 0.8095 (mm) REVERT: Q 227 HIS cc_start: 0.7681 (t70) cc_final: 0.7324 (t70) REVERT: Q 240 LEU cc_start: 0.8092 (pp) cc_final: 0.7827 (pp) REVERT: Q 256 ASN cc_start: 0.8472 (m-40) cc_final: 0.8265 (m-40) REVERT: Q 257 MET cc_start: 0.6786 (mmm) cc_final: 0.6433 (mmm) REVERT: Q 260 PHE cc_start: 0.7926 (m-80) cc_final: 0.7597 (m-10) REVERT: Q 276 ARG cc_start: 0.7367 (tpm170) cc_final: 0.6287 (tpm170) REVERT: Q 280 GLN cc_start: 0.7839 (mp-120) cc_final: 0.7181 (mp10) REVERT: Q 290 THR cc_start: 0.8437 (m) cc_final: 0.8181 (m) REVERT: Q 293 MET cc_start: 0.7749 (mtp) cc_final: 0.7014 (mtp) REVERT: Q 307 HIS cc_start: 0.7478 (m90) cc_final: 0.7235 (m-70) REVERT: Q 312 THR cc_start: 0.7746 (t) cc_final: 0.6810 (t) REVERT: Q 321 MET cc_start: 0.8065 (ptp) cc_final: 0.7174 (ptp) REVERT: Q 330 MET cc_start: 0.7019 (ppp) cc_final: 0.6567 (ppp) REVERT: Q 335 ASN cc_start: 0.7161 (m110) cc_final: 0.6831 (m110) REVERT: Q 337 ASN cc_start: 0.7778 (m110) cc_final: 0.6496 (t0) REVERT: Q 340 TYR cc_start: 0.7231 (m-80) cc_final: 0.6159 (m-80) REVERT: Q 350 LYS cc_start: 0.7621 (tmtt) cc_final: 0.6740 (tmtt) REVERT: Q 354 CYS cc_start: 0.7854 (t) cc_final: 0.7547 (t) REVERT: Q 363 MET cc_start: 0.7057 (ppp) cc_final: 0.6818 (ppp) REVERT: Q 375 GLN cc_start: 0.8008 (pt0) cc_final: 0.7703 (pt0) REVERT: Q 379 LYS cc_start: 0.8437 (ptpt) cc_final: 0.8134 (pttt) REVERT: Q 383 GLU cc_start: 0.7470 (pp20) cc_final: 0.7263 (pp20) REVERT: Q 384 GLN cc_start: 0.8226 (mt0) cc_final: 0.7804 (mt0) REVERT: Q 385 PHE cc_start: 0.7669 (t80) cc_final: 0.7411 (t80) REVERT: Q 388 MET cc_start: 0.7921 (mtp) cc_final: 0.7642 (mtp) REVERT: Q 397 TRP cc_start: 0.7693 (m100) cc_final: 0.6944 (m100) REVERT: Q 401 GLU cc_start: 0.7907 (mm-30) cc_final: 0.7355 (mm-30) REVERT: Q 421 GLU cc_start: 0.7595 (tt0) cc_final: 0.6941 (tt0) REVERT: Q 424 GLN cc_start: 0.5991 (tp40) cc_final: 0.5379 (tp40) REVERT: Y 19 ASN cc_start: 0.7162 (m-40) cc_final: 0.6748 (m-40) REVERT: Y 59 GLU cc_start: 0.7347 (tp30) cc_final: 0.7141 (tp30) REVERT: Y 92 THR cc_start: 0.7269 (p) cc_final: 0.6856 (p) REVERT: Y 122 MET cc_start: 0.5692 (pmm) cc_final: 0.5337 (pmm) REVERT: Y 198 ASN cc_start: 0.6758 (t0) cc_final: 0.5878 (t0) REVERT: Y 226 LYS cc_start: 0.7176 (mtmt) cc_final: 0.6620 (mtmt) REVERT: Y 256 LYS cc_start: 0.7770 (mmmt) cc_final: 0.6883 (mmmt) REVERT: Y 282 MET cc_start: 0.7891 (tpt) cc_final: 0.7426 (tpt) REVERT: Y 313 LYS cc_start: 0.8708 (mtmt) cc_final: 0.8331 (mtmt) REVERT: Y 320 GLN cc_start: 0.7262 (mt0) cc_final: 0.6977 (mm-40) REVERT: A 6 SER cc_start: 0.7213 (p) cc_final: 0.6804 (p) REVERT: A 22 GLU cc_start: 0.7745 (pt0) cc_final: 0.7426 (pt0) REVERT: A 31 GLN cc_start: 0.7223 (tm-30) cc_final: 0.6728 (tm-30) REVERT: A 70 ARG cc_start: 0.8125 (mtp85) cc_final: 0.7402 (mtt-85) REVERT: A 77 GLU cc_start: 0.6443 (pt0) cc_final: 0.6190 (pt0) REVERT: A 82 ASP cc_start: 0.8047 (p0) cc_final: 0.7593 (p0) REVERT: A 91 GLN cc_start: 0.7519 (mp10) cc_final: 0.7134 (mp10) REVERT: A 93 PHE cc_start: 0.7052 (m-80) cc_final: 0.6531 (m-80) REVERT: A 96 GLU cc_start: 0.7736 (tt0) cc_final: 0.7326 (pt0) REVERT: A 107 ASN cc_start: 0.7384 (m-40) cc_final: 0.7065 (m-40) REVERT: A 127 ARG cc_start: 0.6972 (mmm-85) cc_final: 0.6734 (mmm160) REVERT: A 142 LEU cc_start: 0.7615 (pt) cc_final: 0.7064 (pt) REVERT: A 144 PHE cc_start: 0.7011 (m-80) cc_final: 0.6792 (m-80) REVERT: A 155 PHE cc_start: 0.7954 (t80) cc_final: 0.6977 (t80) REVERT: A 163 LEU cc_start: 0.8191 (tp) cc_final: 0.7856 (tp) REVERT: A 174 GLU cc_start: 0.6677 (mp0) cc_final: 0.6065 (mp0) REVERT: A 209 MET cc_start: 0.7215 (mpp) cc_final: 0.6963 (mpp) REVERT: A 259 THR cc_start: 0.7955 (p) cc_final: 0.7383 (p) REVERT: A 290 GLU cc_start: 0.7512 (tp30) cc_final: 0.7145 (tp30) REVERT: A 312 ASP cc_start: 0.7518 (t0) cc_final: 0.7100 (t70) REVERT: A 319 MET cc_start: 0.6367 (mmm) cc_final: 0.5746 (mmm) REVERT: A 322 CYS cc_start: 0.6234 (p) cc_final: 0.5958 (p) REVERT: A 351 ASP cc_start: 0.7944 (p0) cc_final: 0.7373 (p0) REVERT: A 358 LYS cc_start: 0.7220 (tmtt) cc_final: 0.6665 (mmtt) REVERT: A 378 GLN cc_start: 0.8272 (mm110) cc_final: 0.8039 (mm110) REVERT: A 390 ILE cc_start: 0.7892 (tp) cc_final: 0.7498 (tp) REVERT: A 401 PHE cc_start: 0.8063 (t80) cc_final: 0.7653 (t80) REVERT: A 410 PHE cc_start: 0.7745 (m-10) cc_final: 0.7519 (m-10) REVERT: A 436 LYS cc_start: 0.7726 (tmmt) cc_final: 0.6941 (tmmt) REVERT: A 440 GLU cc_start: 0.8353 (tt0) cc_final: 0.7925 (tt0) REVERT: J 22 GLU cc_start: 0.8103 (mt-10) cc_final: 0.7483 (mt-10) REVERT: J 47 ILE cc_start: 0.8069 (tt) cc_final: 0.7865 (tt) REVERT: J 58 LYS cc_start: 0.7473 (tttt) cc_final: 0.7157 (tttt) REVERT: J 69 GLU cc_start: 0.7137 (mm-30) cc_final: 0.6801 (mm-30) REVERT: J 73 MET cc_start: 0.8464 (mmt) cc_final: 0.7691 (mmt) REVERT: J 74 ASP cc_start: 0.7616 (m-30) cc_final: 0.7412 (m-30) REVERT: J 106 TYR cc_start: 0.8074 (m-80) cc_final: 0.7775 (m-10) REVERT: J 108 GLU cc_start: 0.6702 (mp0) cc_final: 0.5734 (mp0) REVERT: J 123 GLU cc_start: 0.8009 (mm-30) cc_final: 0.7396 (mm-30) REVERT: J 147 MET cc_start: 0.6106 (tmm) cc_final: 0.5636 (tmm) REVERT: J 157 GLU cc_start: 0.7840 (pt0) cc_final: 0.7443 (pt0) REVERT: J 191 GLN cc_start: 0.8202 (mp10) cc_final: 0.7279 (mp-120) REVERT: J 195 ASN cc_start: 0.6728 (m110) cc_final: 0.6127 (m110) REVERT: J 198 GLU cc_start: 0.7235 (tp30) cc_final: 0.6385 (tp30) REVERT: J 208 TYR cc_start: 0.7691 (m-80) cc_final: 0.7094 (m-80) REVERT: J 237 THR cc_start: 0.8584 (t) cc_final: 0.8330 (p) REVERT: J 238 THR cc_start: 0.7181 (p) cc_final: 0.6950 (p) REVERT: J 257 MET cc_start: 0.6466 (mmm) cc_final: 0.6126 (mmm) REVERT: J 265 PHE cc_start: 0.8479 (m-80) cc_final: 0.7809 (m-80) REVERT: J 266 PHE cc_start: 0.7878 (m-10) cc_final: 0.7344 (m-10) REVERT: J 270 PHE cc_start: 0.7113 (t80) cc_final: 0.6390 (t80) REVERT: J 273 LEU cc_start: 0.8270 (mt) cc_final: 0.7920 (mt) REVERT: J 280 GLN cc_start: 0.8155 (mp10) cc_final: 0.7953 (mp10) REVERT: J 282 ARG cc_start: 0.7014 (ptm160) cc_final: 0.6452 (tmm-80) REVERT: J 292 GLN cc_start: 0.7523 (tt0) cc_final: 0.6518 (tm-30) REVERT: J 295 ASP cc_start: 0.7670 (t70) cc_final: 0.7339 (t0) REVERT: J 300 MET cc_start: 0.7938 (mtm) cc_final: 0.6838 (mpp) REVERT: J 326 VAL cc_start: 0.8575 (t) cc_final: 0.8042 (t) REVERT: J 330 MET cc_start: 0.7221 (ppp) cc_final: 0.6928 (ppp) REVERT: J 337 ASN cc_start: 0.6079 (t0) cc_final: 0.5395 (t0) REVERT: J 343 GLU cc_start: 0.7124 (pm20) cc_final: 0.6922 (pm20) REVERT: J 367 PHE cc_start: 0.7579 (t80) cc_final: 0.7302 (t80) REVERT: J 379 LYS cc_start: 0.8639 (ptpt) cc_final: 0.8078 (pttp) REVERT: J 384 GLN cc_start: 0.8495 (mt0) cc_final: 0.7820 (mm-40) REVERT: J 388 MET cc_start: 0.8081 (mtp) cc_final: 0.7820 (mtp) REVERT: J 389 PHE cc_start: 0.8401 (t80) cc_final: 0.8065 (t80) REVERT: J 390 ARG cc_start: 0.8142 (mtm110) cc_final: 0.7915 (mtm110) REVERT: J 395 LEU cc_start: 0.8510 (mt) cc_final: 0.8129 (mt) REVERT: J 407 GLU cc_start: 0.8021 (mt-10) cc_final: 0.7472 (pm20) REVERT: S 56 THR cc_start: 0.5729 (m) cc_final: 0.5490 (p) REVERT: S 58 GLN cc_start: 0.6621 (pp30) cc_final: 0.5414 (pp30) REVERT: S 211 ASN cc_start: 0.6048 (t0) cc_final: 0.5572 (t0) REVERT: S 229 LEU cc_start: 0.7222 (mt) cc_final: 0.6982 (mt) REVERT: B 3 GLU cc_start: 0.5373 (mp0) cc_final: 0.5151 (mp0) REVERT: B 53 ASP cc_start: 0.7913 (t70) cc_final: 0.7697 (t70) REVERT: B 77 GLU cc_start: 0.7386 (mm-30) cc_final: 0.6302 (mm-30) REVERT: B 108 ASN cc_start: 0.6696 (t0) cc_final: 0.6362 (t0) REVERT: B 114 TYR cc_start: 0.7945 (m-80) cc_final: 0.7170 (m-80) REVERT: B 129 ARG cc_start: 0.6425 (tpm170) cc_final: 0.5525 (tpm170) REVERT: B 142 LEU cc_start: 0.7567 (pt) cc_final: 0.7124 (pp) REVERT: B 169 LYS cc_start: 0.7734 (ptmm) cc_final: 0.7343 (ptmm) REVERT: B 193 SER cc_start: 0.8216 (m) cc_final: 0.7928 (p) REVERT: B 235 ARG cc_start: 0.7791 (mtt-85) cc_final: 0.6890 (mmm160) REVERT: B 256 VAL cc_start: 0.8202 (m) cc_final: 0.7309 (t) REVERT: B 260 GLU cc_start: 0.7443 (mt-10) cc_final: 0.7186 (mt-10) REVERT: B 286 LYS cc_start: 0.8090 (ttmm) cc_final: 0.7695 (ttmt) REVERT: B 290 GLU cc_start: 0.7772 (tp30) cc_final: 0.7482 (tp30) REVERT: B 311 CYS cc_start: 0.7704 (m) cc_final: 0.7178 (m) REVERT: B 319 MET cc_start: 0.6318 (tpt) cc_final: 0.6042 (tpt) REVERT: B 340 THR cc_start: 0.8680 (p) cc_final: 0.8433 (m) REVERT: B 341 ILE cc_start: 0.8999 (mm) cc_final: 0.8694 (mm) REVERT: B 351 ASP cc_start: 0.7736 (p0) cc_final: 0.7082 (p0) REVERT: B 379 ARG cc_start: 0.7830 (ptp90) cc_final: 0.7494 (mtm-85) REVERT: B 400 LYS cc_start: 0.7220 (ptpp) cc_final: 0.6798 (pttm) REVERT: B 401 PHE cc_start: 0.7706 (t80) cc_final: 0.7362 (t80) REVERT: B 407 LYS cc_start: 0.8247 (tptt) cc_final: 0.7790 (tptt) REVERT: B 408 ARG cc_start: 0.7280 (mpt180) cc_final: 0.6915 (mpt180) REVERT: B 410 PHE cc_start: 0.8444 (m-80) cc_final: 0.8171 (m-80) REVERT: B 419 MET cc_start: 0.4807 (mmp) cc_final: 0.4075 (mmp) REVERT: B 426 GLU cc_start: 0.6710 (tp30) cc_final: 0.5777 (tp30) REVERT: B 430 ASP cc_start: 0.7790 (t0) cc_final: 0.7334 (t0) REVERT: B 440 GLU cc_start: 0.8136 (tt0) cc_final: 0.7436 (pt0) REVERT: K 2 ARG cc_start: 0.8008 (mtm180) cc_final: 0.7059 (mtm180) REVERT: K 3 GLU cc_start: 0.6998 (mp0) cc_final: 0.6233 (mp0) REVERT: K 15 GLN cc_start: 0.8757 (mm-40) cc_final: 0.8133 (mm-40) REVERT: K 19 LYS cc_start: 0.7996 (tptt) cc_final: 0.7417 (tptt) REVERT: K 22 GLU cc_start: 0.8329 (mt-10) cc_final: 0.7811 (mt-10) REVERT: K 24 ILE cc_start: 0.9049 (pt) cc_final: 0.8814 (pt) REVERT: K 50 TYR cc_start: 0.6927 (m-10) cc_final: 0.6720 (m-10) REVERT: K 53 GLU cc_start: 0.7707 (tp30) cc_final: 0.7464 (tp30) REVERT: K 58 LYS cc_start: 0.7845 (mmmm) cc_final: 0.7483 (mmmm) REVERT: K 59 TYR cc_start: 0.6846 (m-80) cc_final: 0.6506 (m-80) REVERT: K 73 MET cc_start: 0.8400 (mmt) cc_final: 0.7217 (mmt) REVERT: K 131 GLN cc_start: 0.6834 (tp-100) cc_final: 0.5931 (tp-100) REVERT: K 164 MET cc_start: 0.7735 (tpt) cc_final: 0.7371 (mmm) REVERT: K 184 ASN cc_start: 0.8014 (m110) cc_final: 0.7660 (m-40) REVERT: K 191 GLN cc_start: 0.8141 (mp10) cc_final: 0.7916 (mm-40) REVERT: K 194 GLU cc_start: 0.7395 (pt0) cc_final: 0.7126 (pt0) REVERT: K 227 HIS cc_start: 0.7666 (t-90) cc_final: 0.7254 (t-90) REVERT: K 233 MET cc_start: 0.8089 (mtm) cc_final: 0.7802 (mtm) REVERT: K 236 VAL cc_start: 0.8661 (m) cc_final: 0.8454 (p) REVERT: K 257 MET cc_start: 0.7742 (mmm) cc_final: 0.6935 (mmm) REVERT: K 262 ARG cc_start: 0.7911 (mmt90) cc_final: 0.7599 (mtm-85) REVERT: K 264 HIS cc_start: 0.7421 (p-80) cc_final: 0.6910 (p90) REVERT: K 280 GLN cc_start: 0.7922 (mp10) cc_final: 0.7526 (mp10) REVERT: K 289 LEU cc_start: 0.7991 (pp) cc_final: 0.7780 (pp) REVERT: K 290 THR cc_start: 0.7559 (m) cc_final: 0.7264 (p) REVERT: K 293 MET cc_start: 0.7487 (mtp) cc_final: 0.6936 (mtp) REVERT: K 298 ASN cc_start: 0.7484 (t0) cc_final: 0.7214 (t0) REVERT: K 299 MET cc_start: 0.6062 (ptt) cc_final: 0.5247 (ptt) REVERT: K 300 MET cc_start: 0.7161 (mtm) cc_final: 0.5754 (mpp) REVERT: K 324 LYS cc_start: 0.8242 (ttpt) cc_final: 0.7926 (ttpp) REVERT: K 325 GLU cc_start: 0.8284 (mt-10) cc_final: 0.7664 (mt-10) REVERT: K 327 ASP cc_start: 0.7364 (m-30) cc_final: 0.6273 (m-30) REVERT: K 330 MET cc_start: 0.6427 (ppp) cc_final: 0.6032 (ppp) REVERT: K 335 ASN cc_start: 0.6873 (m110) cc_final: 0.6650 (m-40) REVERT: K 340 TYR cc_start: 0.8043 (m-80) cc_final: 0.7533 (m-80) REVERT: K 375 GLN cc_start: 0.8683 (pt0) cc_final: 0.7845 (pt0) REVERT: K 379 LYS cc_start: 0.8487 (ptpt) cc_final: 0.8178 (ptpt) REVERT: K 390 ARG cc_start: 0.7861 (ptm-80) cc_final: 0.7472 (ptm-80) REVERT: K 391 ARG cc_start: 0.3361 (ptt180) cc_final: 0.2120 (mtm180) REVERT: K 401 GLU cc_start: 0.7180 (mm-30) cc_final: 0.6241 (mm-30) REVERT: K 404 ASP cc_start: 0.6561 (t0) cc_final: 0.5424 (t0) REVERT: K 406 MET cc_start: 0.7185 (mpp) cc_final: 0.6952 (mpp) REVERT: K 408 PHE cc_start: 0.7951 (m-80) cc_final: 0.7467 (m-80) REVERT: K 415 MET cc_start: 0.8265 (mmm) cc_final: 0.7943 (mmm) REVERT: T 22 GLU cc_start: 0.6615 (mt-10) cc_final: 0.6162 (mt-10) REVERT: T 40 VAL cc_start: 0.6061 (t) cc_final: 0.5644 (t) REVERT: T 46 TYR cc_start: 0.6724 (m-80) cc_final: 0.6203 (m-80) REVERT: T 105 MET cc_start: 0.5243 (ptt) cc_final: 0.4713 (ppp) REVERT: T 250 GLU cc_start: 0.6690 (mm-30) cc_final: 0.6277 (mm-30) REVERT: T 287 GLN cc_start: 0.7978 (pp30) cc_final: 0.7774 (pp30) REVERT: T 309 GLU cc_start: 0.6333 (mp0) cc_final: 0.5861 (mp0) REVERT: C 35 GLN cc_start: 0.6648 (pm20) cc_final: 0.6327 (pm20) REVERT: C 83 GLU cc_start: 0.7211 (pm20) cc_final: 0.6929 (pm20) REVERT: C 108 ASN cc_start: 0.6677 (t0) cc_final: 0.6241 (t0) REVERT: C 114 TYR cc_start: 0.8104 (m-80) cc_final: 0.7581 (m-80) REVERT: C 119 GLU cc_start: 0.7653 (pp20) cc_final: 0.7331 (pp20) REVERT: C 161 GLU cc_start: 0.8323 (pt0) cc_final: 0.8074 (pt0) REVERT: C 163 LEU cc_start: 0.8799 (mt) cc_final: 0.8336 (tp) REVERT: C 169 LYS cc_start: 0.7894 (ptmm) cc_final: 0.7533 (ptmm) REVERT: C 172 LYS cc_start: 0.7518 (mtmm) cc_final: 0.7182 (mtmm) REVERT: C 192 ASN cc_start: 0.8530 (m-40) cc_final: 0.7725 (m-40) REVERT: C 227 ARG cc_start: 0.7280 (mtm-85) cc_final: 0.6893 (mmm-85) REVERT: C 232 ASN cc_start: 0.8236 (m-40) cc_final: 0.7894 (p0) REVERT: C 233 LEU cc_start: 0.8486 (mp) cc_final: 0.8067 (tp) REVERT: C 235 ARG cc_start: 0.7737 (mtt-85) cc_final: 0.7258 (mmm-85) REVERT: C 248 LEU cc_start: 0.8966 (mt) cc_final: 0.8473 (pp) REVERT: C 265 LEU cc_start: 0.7542 (mp) cc_final: 0.7178 (mp) REVERT: C 311 CYS cc_start: 0.8040 (m) cc_final: 0.7140 (p) REVERT: C 319 MET cc_start: 0.6877 (mmm) cc_final: 0.6282 (mmm) REVERT: C 351 ASP cc_start: 0.7935 (p0) cc_final: 0.7385 (p0) REVERT: C 355 THR cc_start: 0.8446 (p) cc_final: 0.7831 (t) REVERT: C 362 ASN cc_start: 0.7788 (t0) cc_final: 0.7279 (t0) REVERT: C 376 LYS cc_start: 0.7678 (tmtt) cc_final: 0.7222 (tmtt) REVERT: C 378 GLN cc_start: 0.8176 (mm-40) cc_final: 0.7289 (mm-40) REVERT: C 379 ARG cc_start: 0.7769 (ptp90) cc_final: 0.7392 (mtm-85) REVERT: C 383 MET cc_start: 0.7158 (tpt) cc_final: 0.6605 (tpt) REVERT: C 400 LYS cc_start: 0.7206 (ptpt) cc_final: 0.6650 (pttp) REVERT: C 401 PHE cc_start: 0.7632 (t80) cc_final: 0.7092 (t80) REVERT: C 402 ASP cc_start: 0.7147 (m-30) cc_final: 0.6831 (m-30) REVERT: C 404 MET cc_start: 0.7494 (mtm) cc_final: 0.7029 (mtm) REVERT: C 407 LYS cc_start: 0.8108 (mmmt) cc_final: 0.7861 (mmmm) REVERT: C 410 PHE cc_start: 0.8518 (m-80) cc_final: 0.7839 (m-10) REVERT: C 419 MET cc_start: 0.7291 (mmp) cc_final: 0.6981 (mmp) REVERT: C 423 GLU cc_start: 0.7332 (pm20) cc_final: 0.7071 (pm20) REVERT: C 426 GLU cc_start: 0.7419 (tp30) cc_final: 0.6520 (tp30) REVERT: C 430 ASP cc_start: 0.7753 (t0) cc_final: 0.7279 (t0) REVERT: C 440 GLU cc_start: 0.8239 (tt0) cc_final: 0.7611 (pt0) REVERT: L 2 ARG cc_start: 0.8230 (mtm110) cc_final: 0.7530 (mmm160) REVERT: L 22 GLU cc_start: 0.8413 (mt-10) cc_final: 0.7987 (mt-10) REVERT: L 24 ILE cc_start: 0.9023 (pt) cc_final: 0.8587 (pt) REVERT: L 53 GLU cc_start: 0.7543 (tp30) cc_final: 0.6562 (tp30) REVERT: L 59 TYR cc_start: 0.6174 (m-80) cc_final: 0.5603 (m-80) REVERT: L 66 VAL cc_start: 0.7812 (m) cc_final: 0.7357 (p) REVERT: L 73 MET cc_start: 0.8258 (mmt) cc_final: 0.7522 (mmt) REVERT: L 74 ASP cc_start: 0.7511 (m-30) cc_final: 0.7281 (m-30) REVERT: L 121 ARG cc_start: 0.7916 (mmm-85) cc_final: 0.7660 (mmm-85) REVERT: L 122 LYS cc_start: 0.8071 (pptt) cc_final: 0.7626 (pptt) REVERT: L 123 GLU cc_start: 0.7995 (mm-30) cc_final: 0.7574 (tp30) REVERT: L 136 THR cc_start: 0.8151 (t) cc_final: 0.7744 (p) REVERT: L 147 MET cc_start: 0.6348 (tmm) cc_final: 0.5784 (tmm) REVERT: L 154 LYS cc_start: 0.8385 (mmmt) cc_final: 0.8032 (mmmt) REVERT: L 166 THR cc_start: 0.7181 (t) cc_final: 0.6958 (p) REVERT: L 184 ASN cc_start: 0.7757 (m-40) cc_final: 0.7420 (m-40) REVERT: L 187 LEU cc_start: 0.8646 (mt) cc_final: 0.8239 (mt) REVERT: L 194 GLU cc_start: 0.7118 (pt0) cc_final: 0.6636 (pt0) REVERT: L 202 ILE cc_start: 0.7502 (mt) cc_final: 0.7257 (tt) REVERT: L 224 ASP cc_start: 0.7439 (m-30) cc_final: 0.7157 (m-30) REVERT: L 241 ARG cc_start: 0.7515 (mtm110) cc_final: 0.6377 (ttp-110) REVERT: L 242 PHE cc_start: 0.7988 (m-80) cc_final: 0.7745 (m-80) REVERT: L 257 MET cc_start: 0.8072 (mmm) cc_final: 0.7202 (mmm) REVERT: L 262 ARG cc_start: 0.7725 (mmm-85) cc_final: 0.7129 (mtm-85) REVERT: L 263 LEU cc_start: 0.8484 (mt) cc_final: 0.7765 (mm) REVERT: L 265 PHE cc_start: 0.8235 (m-80) cc_final: 0.7394 (m-80) REVERT: L 273 LEU cc_start: 0.7786 (mt) cc_final: 0.7500 (mt) REVERT: L 276 ARG cc_start: 0.6920 (tpm170) cc_final: 0.6353 (tpm170) REVERT: L 293 MET cc_start: 0.7478 (mtp) cc_final: 0.7000 (mtp) REVERT: L 299 MET cc_start: 0.7483 (ppp) cc_final: 0.7190 (ppp) REVERT: L 300 MET cc_start: 0.7395 (mtm) cc_final: 0.6774 (mtm) REVERT: L 321 MET cc_start: 0.7980 (ppp) cc_final: 0.7138 (ppp) REVERT: L 324 LYS cc_start: 0.8303 (ttpt) cc_final: 0.7953 (ttpp) REVERT: L 325 GLU cc_start: 0.8104 (mt-10) cc_final: 0.7713 (mt-10) REVERT: L 327 ASP cc_start: 0.7693 (m-30) cc_final: 0.6757 (m-30) REVERT: L 330 MET cc_start: 0.6847 (ppp) cc_final: 0.6540 (ppp) REVERT: L 331 LEU cc_start: 0.7886 (tp) cc_final: 0.7610 (tp) REVERT: L 335 ASN cc_start: 0.7471 (m110) cc_final: 0.7138 (m110) REVERT: L 347 ASN cc_start: 0.7573 (t0) cc_final: 0.7004 (t0) REVERT: L 350 LYS cc_start: 0.8170 (tptp) cc_final: 0.7819 (tptp) REVERT: L 353 VAL cc_start: 0.8048 (p) cc_final: 0.7710 (m) REVERT: L 355 ASP cc_start: 0.7677 (m-30) cc_final: 0.6714 (m-30) REVERT: L 362 LYS cc_start: 0.7793 (mmmt) cc_final: 0.7496 (mmmm) REVERT: L 375 GLN cc_start: 0.8366 (pt0) cc_final: 0.7683 (pt0) REVERT: L 389 PHE cc_start: 0.7861 (t80) cc_final: 0.7643 (t80) REVERT: L 395 LEU cc_start: 0.7457 (mt) cc_final: 0.6765 (mt) REVERT: L 401 GLU cc_start: 0.6980 (mm-30) cc_final: 0.6197 (mm-30) REVERT: L 408 PHE cc_start: 0.8164 (m-80) cc_final: 0.7451 (m-80) REVERT: L 414 ASN cc_start: 0.7964 (m-40) cc_final: 0.7411 (m-40) REVERT: L 416 ASN cc_start: 0.7610 (m110) cc_final: 0.7407 (m110) REVERT: L 421 GLU cc_start: 0.8132 (tt0) cc_final: 0.7082 (tt0) REVERT: L 422 TYR cc_start: 0.8099 (m-80) cc_final: 0.7535 (m-80) REVERT: U 19 ASN cc_start: 0.6449 (m110) cc_final: 0.6236 (m110) REVERT: U 44 LYS cc_start: 0.6411 (pttm) cc_final: 0.5778 (pttm) REVERT: U 46 TYR cc_start: 0.6425 (m-80) cc_final: 0.5861 (m-80) REVERT: U 105 MET cc_start: 0.5937 (ptt) cc_final: 0.5545 (ptt) REVERT: U 116 PHE cc_start: 0.5748 (m-10) cc_final: 0.5396 (m-10) REVERT: U 250 GLU cc_start: 0.6981 (mm-30) cc_final: 0.6660 (mm-30) REVERT: U 252 LYS cc_start: 0.7549 (mttm) cc_final: 0.7261 (mtpp) REVERT: U 256 LYS cc_start: 0.7620 (mmmt) cc_final: 0.7213 (mmmm) REVERT: D 11 GLN cc_start: 0.4861 (tm-30) cc_final: 0.4489 (tm-30) REVERT: D 21 TRP cc_start: 0.8424 (m100) cc_final: 0.8168 (m100) REVERT: D 22 GLU cc_start: 0.7855 (pt0) cc_final: 0.7214 (pt0) REVERT: D 35 GLN cc_start: 0.7096 (mp10) cc_final: 0.6733 (mp10) REVERT: D 56 ASN cc_start: 0.7113 (t0) cc_final: 0.6823 (t0) REVERT: D 70 ARG cc_start: 0.7635 (mtt-85) cc_final: 0.7183 (mtt90) REVERT: D 93 PHE cc_start: 0.6856 (m-80) cc_final: 0.6574 (m-80) REVERT: D 102 LYS cc_start: 0.7567 (tptp) cc_final: 0.6766 (tptp) REVERT: D 119 GLU cc_start: 0.7761 (pp20) cc_final: 0.7543 (pp20) REVERT: D 129 ARG cc_start: 0.6832 (tpt170) cc_final: 0.6565 (tpt170) REVERT: D 172 LYS cc_start: 0.6981 (mtmm) cc_final: 0.6357 (mtmm) REVERT: D 174 GLU cc_start: 0.6660 (mp0) cc_final: 0.5724 (mp0) REVERT: D 185 THR cc_start: 0.7959 (p) cc_final: 0.7281 (t) REVERT: D 196 THR cc_start: 0.8208 (t) cc_final: 0.7006 (m) REVERT: D 197 THR cc_start: 0.8740 (m) cc_final: 0.8509 (m) REVERT: D 198 HIS cc_start: 0.8694 (t-90) cc_final: 0.8314 (t-90) REVERT: D 201 LEU cc_start: 0.7971 (tt) cc_final: 0.7545 (pp) REVERT: D 202 GLU cc_start: 0.7058 (pm20) cc_final: 0.6579 (pm20) REVERT: D 232 ASN cc_start: 0.8883 (m-40) cc_final: 0.8595 (m-40) REVERT: D 265 LEU cc_start: 0.7544 (mp) cc_final: 0.7185 (mp) REVERT: D 272 HIS cc_start: 0.6856 (p90) cc_final: 0.5998 (p90) REVERT: D 286 LYS cc_start: 0.8083 (mtpp) cc_final: 0.7798 (ttmt) REVERT: D 288 TYR cc_start: 0.7076 (m-80) cc_final: 0.6837 (m-80) REVERT: D 319 MET cc_start: 0.6214 (mmm) cc_final: 0.5562 (mmm) REVERT: D 338 ILE cc_start: 0.8731 (pt) cc_final: 0.8061 (tp) REVERT: D 344 LYS cc_start: 0.8186 (ttpt) cc_final: 0.7848 (ttpt) REVERT: D 358 LYS cc_start: 0.6935 (tmtt) cc_final: 0.6139 (tppt) REVERT: D 384 LEU cc_start: 0.7844 (mm) cc_final: 0.7535 (mm) REVERT: D 400 LYS cc_start: 0.7659 (ptpt) cc_final: 0.7447 (ptmt) REVERT: D 401 PHE cc_start: 0.7534 (t80) cc_final: 0.7221 (t80) REVERT: D 407 LYS cc_start: 0.8652 (mmmt) cc_final: 0.8403 (mmmt) REVERT: D 410 PHE cc_start: 0.8680 (m-80) cc_final: 0.8341 (m-80) REVERT: D 419 MET cc_start: 0.5943 (mmp) cc_final: 0.5493 (mmt) REVERT: D 430 ASP cc_start: 0.7397 (t0) cc_final: 0.7126 (t0) REVERT: D 434 LEU cc_start: 0.7718 (tt) cc_final: 0.7427 (mm) REVERT: D 440 GLU cc_start: 0.8127 (tt0) cc_final: 0.7804 (tt0) REVERT: M 2 ARG cc_start: 0.7594 (mtm180) cc_final: 0.7097 (mtm180) REVERT: M 3 GLU cc_start: 0.6184 (mp0) cc_final: 0.5532 (mp0) REVERT: M 14 ASN cc_start: 0.8417 (m110) cc_final: 0.7900 (m110) REVERT: M 22 GLU cc_start: 0.8209 (mt-10) cc_final: 0.7464 (mt-10) REVERT: M 26 ASP cc_start: 0.7357 (m-30) cc_final: 0.6990 (m-30) REVERT: M 62 ARG cc_start: 0.8294 (ptp-110) cc_final: 0.7811 (ptp-110) REVERT: M 73 MET cc_start: 0.8235 (mmt) cc_final: 0.7267 (mmt) REVERT: M 121 ARG cc_start: 0.8203 (ttm110) cc_final: 0.7990 (ptp-110) REVERT: M 122 LYS cc_start: 0.8159 (ptmm) cc_final: 0.7913 (ptmm) REVERT: M 123 GLU cc_start: 0.7939 (mm-30) cc_final: 0.7624 (mm-30) REVERT: M 133 PHE cc_start: 0.6920 (m-80) cc_final: 0.5212 (m-80) REVERT: M 147 MET cc_start: 0.5834 (tmm) cc_final: 0.5201 (tmm) REVERT: M 154 LYS cc_start: 0.8395 (mmmt) cc_final: 0.7728 (mmmt) REVERT: M 158 GLU cc_start: 0.8042 (tt0) cc_final: 0.7052 (tt0) REVERT: M 159 TYR cc_start: 0.8148 (m-10) cc_final: 0.7542 (m-10) REVERT: M 181 GLU cc_start: 0.8319 (pt0) cc_final: 0.7513 (pt0) REVERT: M 204 ASN cc_start: 0.8437 (m-40) cc_final: 0.8044 (m-40) REVERT: M 240 LEU cc_start: 0.8060 (pt) cc_final: 0.7285 (pp) REVERT: M 267 MET cc_start: 0.7958 (mtt) cc_final: 0.7250 (mtt) REVERT: M 270 PHE cc_start: 0.7232 (t80) cc_final: 0.6818 (t80) REVERT: M 292 GLN cc_start: 0.8310 (tt0) cc_final: 0.7902 (tt0) REVERT: M 293 MET cc_start: 0.7581 (mtp) cc_final: 0.6945 (mtp) REVERT: M 295 ASP cc_start: 0.8157 (t70) cc_final: 0.7667 (t70) REVERT: M 300 MET cc_start: 0.7542 (mtt) cc_final: 0.6851 (mmm) REVERT: M 321 MET cc_start: 0.7494 (ptp) cc_final: 0.6800 (ptp) REVERT: M 326 VAL cc_start: 0.8983 (t) cc_final: 0.8638 (p) REVERT: M 327 ASP cc_start: 0.7604 (m-30) cc_final: 0.6938 (m-30) REVERT: M 330 MET cc_start: 0.7419 (ppp) cc_final: 0.6971 (ppp) REVERT: M 337 ASN cc_start: 0.7299 (m-40) cc_final: 0.6780 (m-40) REVERT: M 340 TYR cc_start: 0.7260 (m-80) cc_final: 0.6559 (m-80) REVERT: M 344 TRP cc_start: 0.7228 (p-90) cc_final: 0.6860 (p-90) REVERT: M 351 THR cc_start: 0.7859 (t) cc_final: 0.7617 (t) REVERT: M 353 VAL cc_start: 0.8147 (m) cc_final: 0.7668 (p) REVERT: M 375 GLN cc_start: 0.8049 (pt0) cc_final: 0.7487 (pt0) REVERT: M 380 ARG cc_start: 0.7997 (ptp-170) cc_final: 0.7445 (ptp-170) REVERT: M 383 GLU cc_start: 0.7510 (pp20) cc_final: 0.7099 (pp20) REVERT: M 384 GLN cc_start: 0.8253 (mt0) cc_final: 0.7712 (mt0) REVERT: M 388 MET cc_start: 0.7902 (mtp) cc_final: 0.7535 (mtp) REVERT: M 404 ASP cc_start: 0.8125 (t0) cc_final: 0.7382 (t70) REVERT: M 406 MET cc_start: 0.7838 (mmm) cc_final: 0.7543 (mmm) REVERT: M 415 MET cc_start: 0.8028 (mmm) cc_final: 0.7252 (mmm) REVERT: M 421 GLU cc_start: 0.7469 (tt0) cc_final: 0.6735 (tt0) REVERT: V 19 ASN cc_start: 0.6919 (m-40) cc_final: 0.6560 (m-40) REVERT: V 33 PHE cc_start: 0.6562 (m-80) cc_final: 0.6264 (m-80) REVERT: V 81 ILE cc_start: 0.6725 (mp) cc_final: 0.6513 (mp) REVERT: V 87 THR cc_start: 0.6231 (p) cc_final: 0.5851 (p) REVERT: V 197 MET cc_start: 0.7019 (tpt) cc_final: 0.6129 (tpt) REVERT: V 198 ASN cc_start: 0.6241 (t0) cc_final: 0.5773 (t0) REVERT: V 256 LYS cc_start: 0.8130 (mmmt) cc_final: 0.7370 (mmmt) REVERT: V 313 LYS cc_start: 0.8403 (mtmt) cc_final: 0.8080 (mtmt) REVERT: V 320 GLN cc_start: 0.6393 (mm-40) cc_final: 0.6161 (mm-40) REVERT: E 22 GLU cc_start: 0.7684 (pt0) cc_final: 0.7385 (pt0) REVERT: E 57 THR cc_start: 0.8562 (t) cc_final: 0.8120 (t) REVERT: E 70 ARG cc_start: 0.6814 (mtt90) cc_final: 0.5478 (mtt-85) REVERT: E 90 ARG cc_start: 0.6820 (mtm-85) cc_final: 0.6514 (mmm-85) REVERT: E 93 PHE cc_start: 0.6929 (m-10) cc_final: 0.6624 (m-10) REVERT: E 129 ARG cc_start: 0.8026 (ttm-80) cc_final: 0.7649 (ttp-110) REVERT: E 141 PHE cc_start: 0.7267 (m-80) cc_final: 0.6745 (m-10) REVERT: E 144 PHE cc_start: 0.7541 (m-80) cc_final: 0.7261 (m-80) REVERT: E 172 LYS cc_start: 0.7900 (mtmm) cc_final: 0.7472 (mtmm) REVERT: E 220 ARG cc_start: 0.7099 (tpp80) cc_final: 0.6615 (tpp80) REVERT: E 222 ASN cc_start: 0.7968 (m110) cc_final: 0.7560 (m110) REVERT: E 225 ILE cc_start: 0.6578 (mm) cc_final: 0.6184 (tp) REVERT: E 235 ARG cc_start: 0.8602 (tpp80) cc_final: 0.8064 (mmm-85) REVERT: E 239 GLN cc_start: 0.7838 (tp-100) cc_final: 0.7375 (tp40) REVERT: E 249 ARG cc_start: 0.7953 (mtt90) cc_final: 0.7718 (ptp-110) REVERT: E 255 ASN cc_start: 0.6645 (m110) cc_final: 0.6247 (m-40) REVERT: E 256 VAL cc_start: 0.7842 (m) cc_final: 0.7272 (p) REVERT: E 260 GLU cc_start: 0.8011 (mm-30) cc_final: 0.7701 (mm-30) REVERT: E 286 LYS cc_start: 0.8301 (mttp) cc_final: 0.7871 (mtpt) REVERT: E 288 TYR cc_start: 0.7672 (m-80) cc_final: 0.7119 (m-80) REVERT: E 290 GLU cc_start: 0.7435 (tp30) cc_final: 0.6634 (tp30) REVERT: E 306 ASN cc_start: 0.7929 (t0) cc_final: 0.6799 (t0) REVERT: E 308 MET cc_start: 0.8158 (mmm) cc_final: 0.7225 (mmm) REVERT: E 318 TYR cc_start: 0.7443 (m-10) cc_final: 0.7138 (m-10) REVERT: E 319 MET cc_start: 0.6611 (mmm) cc_final: 0.5970 (mmm) REVERT: E 334 VAL cc_start: 0.8269 (m) cc_final: 0.7855 (t) REVERT: E 342 LYS cc_start: 0.8862 (mtpp) cc_final: 0.8492 (mtmm) REVERT: E 358 LYS cc_start: 0.7422 (tptp) cc_final: 0.7063 (tppt) REVERT: E 378 GLN cc_start: 0.8110 (mm110) cc_final: 0.7801 (mm110) REVERT: E 382 CYS cc_start: 0.7440 (t) cc_final: 0.7200 (t) REVERT: E 383 MET cc_start: 0.6596 (tpt) cc_final: 0.6012 (tpt) REVERT: E 384 LEU cc_start: 0.7072 (mm) cc_final: 0.6813 (mm) REVERT: E 401 PHE cc_start: 0.8078 (t80) cc_final: 0.7707 (t80) REVERT: E 439 GLU cc_start: 0.7915 (pt0) cc_final: 0.7679 (pt0) REVERT: N 2 ARG cc_start: 0.7994 (mtm180) cc_final: 0.7268 (mtm110) REVERT: N 20 PHE cc_start: 0.8516 (t80) cc_final: 0.8269 (t80) REVERT: N 46 ARG cc_start: 0.8153 (mmt-90) cc_final: 0.7600 (mmt-90) REVERT: N 47 ILE cc_start: 0.8121 (tt) cc_final: 0.7873 (tt) REVERT: N 58 LYS cc_start: 0.7346 (tttt) cc_final: 0.7131 (tttt) REVERT: N 73 MET cc_start: 0.8375 (mmt) cc_final: 0.8026 (mmt) REVERT: N 83 GLN cc_start: 0.7570 (mm-40) cc_final: 0.6875 (mm-40) REVERT: N 100 ASN cc_start: 0.7733 (t0) cc_final: 0.7307 (t0) REVERT: N 103 LYS cc_start: 0.7817 (mmmm) cc_final: 0.7425 (mmmm) REVERT: N 108 GLU cc_start: 0.6721 (mp0) cc_final: 0.6100 (mp0) REVERT: N 121 ARG cc_start: 0.8067 (ttm-80) cc_final: 0.7653 (ttm-80) REVERT: N 131 GLN cc_start: 0.6492 (tp40) cc_final: 0.5880 (tp40) REVERT: N 143 THR cc_start: 0.8398 (t) cc_final: 0.7497 (t) REVERT: N 157 GLU cc_start: 0.8157 (pt0) cc_final: 0.7817 (pt0) REVERT: N 161 ASP cc_start: 0.7980 (p0) cc_final: 0.7321 (p0) REVERT: N 164 MET cc_start: 0.7092 (mmp) cc_final: 0.6076 (mmp) REVERT: N 181 GLU cc_start: 0.7788 (pt0) cc_final: 0.7397 (pt0) REVERT: N 191 GLN cc_start: 0.8608 (mp10) cc_final: 0.8387 (mp10) REVERT: N 197 ASP cc_start: 0.6710 (m-30) cc_final: 0.6379 (m-30) REVERT: N 200 TYR cc_start: 0.7829 (m-80) cc_final: 0.6358 (m-80) REVERT: N 215 LEU cc_start: 0.7647 (tp) cc_final: 0.7419 (tp) REVERT: N 232 THR cc_start: 0.8350 (p) cc_final: 0.8020 (t) REVERT: N 233 MET cc_start: 0.8091 (mtp) cc_final: 0.7527 (mtp) REVERT: N 240 LEU cc_start: 0.8032 (pt) cc_final: 0.6909 (tp) REVERT: N 250 LEU cc_start: 0.8773 (mt) cc_final: 0.8573 (mm) REVERT: N 257 MET cc_start: 0.6854 (mmm) cc_final: 0.5958 (mmm) REVERT: N 261 PRO cc_start: 0.8229 (Cg_exo) cc_final: 0.7278 (Cg_endo) REVERT: N 264 HIS cc_start: 0.7620 (p-80) cc_final: 0.6864 (p-80) REVERT: N 265 PHE cc_start: 0.8514 (m-80) cc_final: 0.7959 (m-80) REVERT: N 267 MET cc_start: 0.7845 (mtt) cc_final: 0.7574 (mtt) REVERT: N 270 PHE cc_start: 0.7239 (t80) cc_final: 0.6881 (t80) REVERT: N 280 GLN cc_start: 0.8043 (mp10) cc_final: 0.7636 (mp10) REVERT: N 281 TYR cc_start: 0.7206 (m-80) cc_final: 0.6802 (m-80) REVERT: N 282 ARG cc_start: 0.7199 (ttt180) cc_final: 0.6790 (mmm-85) REVERT: N 290 THR cc_start: 0.8538 (m) cc_final: 0.8102 (p) REVERT: N 293 MET cc_start: 0.7961 (mtp) cc_final: 0.7414 (mtp) REVERT: N 295 ASP cc_start: 0.7989 (t70) cc_final: 0.7681 (t70) REVERT: N 299 MET cc_start: 0.6933 (ptt) cc_final: 0.6692 (ptt) REVERT: N 300 MET cc_start: 0.7633 (mtt) cc_final: 0.6301 (mpp) REVERT: N 340 TYR cc_start: 0.6878 (m-80) cc_final: 0.6151 (m-10) REVERT: N 350 LYS cc_start: 0.8265 (tmtt) cc_final: 0.7900 (tmtt) REVERT: N 375 GLN cc_start: 0.8532 (pp30) cc_final: 0.8165 (pp30) REVERT: N 379 LYS cc_start: 0.8460 (ptpt) cc_final: 0.8194 (ptpt) REVERT: N 384 GLN cc_start: 0.8302 (mt0) cc_final: 0.7711 (mt0) REVERT: N 388 MET cc_start: 0.7441 (mtp) cc_final: 0.6757 (mtp) REVERT: N 392 LYS cc_start: 0.7832 (mtmm) cc_final: 0.7383 (mtmm) REVERT: N 404 ASP cc_start: 0.7517 (t70) cc_final: 0.7150 (t70) REVERT: N 406 MET cc_start: 0.8137 (mmp) cc_final: 0.7843 (mmp) REVERT: N 415 MET cc_start: 0.7810 (mmm) cc_final: 0.7545 (mmm) REVERT: N 421 GLU cc_start: 0.7141 (tt0) cc_final: 0.6868 (tm-30) REVERT: N 422 TYR cc_start: 0.8901 (m-80) cc_final: 0.8588 (m-10) REVERT: W 19 ASN cc_start: 0.6317 (m-40) cc_final: 0.6078 (m-40) REVERT: W 59 GLU cc_start: 0.6636 (tt0) cc_final: 0.6407 (tm-30) REVERT: W 92 THR cc_start: 0.6965 (m) cc_final: 0.6661 (p) REVERT: W 95 MET cc_start: 0.6474 (mpp) cc_final: 0.6114 (mpp) REVERT: W 120 TYR cc_start: 0.7317 (m-10) cc_final: 0.6713 (m-80) REVERT: W 122 MET cc_start: 0.4138 (mmp) cc_final: 0.2866 (tpt) REVERT: W 134 TYR cc_start: 0.5617 (t80) cc_final: 0.5177 (t80) REVERT: W 198 ASN cc_start: 0.4458 (t0) cc_final: 0.4096 (t0) REVERT: W 228 TYR cc_start: 0.6588 (m-80) cc_final: 0.5568 (m-80) REVERT: W 256 LYS cc_start: 0.8585 (mmmt) cc_final: 0.8303 (mmmt) REVERT: W 259 SER cc_start: 0.7345 (p) cc_final: 0.7054 (p) REVERT: W 263 ASN cc_start: 0.6433 (m-40) cc_final: 0.6086 (m-40) REVERT: W 307 TYR cc_start: 0.6863 (t80) cc_final: 0.6007 (t80) REVERT: W 311 GLU cc_start: 0.7886 (pp20) cc_final: 0.6791 (pm20) REVERT: W 313 LYS cc_start: 0.8764 (mtmt) cc_final: 0.8436 (mtmt) REVERT: F 11 GLN cc_start: 0.5909 (tp-100) cc_final: 0.5493 (tp-100) REVERT: F 24 TYR cc_start: 0.8328 (m-80) cc_final: 0.7952 (m-80) REVERT: F 31 GLN cc_start: 0.7513 (mt0) cc_final: 0.7192 (mt0) REVERT: F 36 MET cc_start: 0.7146 (tmm) cc_final: 0.6412 (tmm) REVERT: F 83 GLU cc_start: 0.6667 (pm20) cc_final: 0.5944 (pm20) REVERT: F 97 GLN cc_start: 0.7085 (mp10) cc_final: 0.6195 (mp10) REVERT: F 108 ASN cc_start: 0.6652 (t0) cc_final: 0.6251 (t0) REVERT: F 119 GLU cc_start: 0.7838 (pp20) cc_final: 0.7544 (pp20) REVERT: F 158 LEU cc_start: 0.8778 (tp) cc_final: 0.8563 (tp) REVERT: F 169 LYS cc_start: 0.7508 (ptmm) cc_final: 0.7214 (ptmm) REVERT: F 175 PHE cc_start: 0.7469 (m-80) cc_final: 0.7000 (m-10) REVERT: F 192 ASN cc_start: 0.8262 (m-40) cc_final: 0.7713 (m-40) REVERT: F 227 ARG cc_start: 0.7738 (mtm-85) cc_final: 0.7373 (mtm-85) REVERT: F 235 ARG cc_start: 0.6932 (mtt-85) cc_final: 0.6332 (mmm160) REVERT: F 254 LEU cc_start: 0.7610 (tt) cc_final: 0.7253 (tp) REVERT: F 265 LEU cc_start: 0.7212 (mt) cc_final: 0.6654 (mp) REVERT: F 283 SER cc_start: 0.8117 (m) cc_final: 0.7782 (p) REVERT: F 310 LYS cc_start: 0.7829 (mtpt) cc_final: 0.7474 (mtpt) REVERT: F 311 CYS cc_start: 0.7949 (m) cc_final: 0.7713 (m) REVERT: F 319 MET cc_start: 0.6494 (mmm) cc_final: 0.5776 (mmm) REVERT: F 348 GLN cc_start: 0.7573 (tt0) cc_final: 0.7309 (tt0) REVERT: F 390 ILE cc_start: 0.7753 (mp) cc_final: 0.7460 (mm) REVERT: F 400 LYS cc_start: 0.6400 (ptpt) cc_final: 0.5985 (ptmt) REVERT: F 401 PHE cc_start: 0.7407 (t80) cc_final: 0.6936 (t80) REVERT: F 410 PHE cc_start: 0.8491 (m-80) cc_final: 0.8194 (m-80) REVERT: F 426 GLU cc_start: 0.7084 (tp30) cc_final: 0.6414 (tp30) REVERT: F 431 MET cc_start: 0.8722 (mmm) cc_final: 0.8520 (mmm) REVERT: F 434 LEU cc_start: 0.7652 (mt) cc_final: 0.7320 (mm) REVERT: F 440 GLU cc_start: 0.7918 (tt0) cc_final: 0.7409 (pt0) REVERT: O 22 GLU cc_start: 0.8230 (mt-10) cc_final: 0.7438 (mt-10) REVERT: O 46 ARG cc_start: 0.8556 (mmm-85) cc_final: 0.8005 (mmm-85) REVERT: O 53 GLU cc_start: 0.7505 (tp30) cc_final: 0.6877 (tp30) REVERT: O 62 ARG cc_start: 0.7725 (ptp-110) cc_final: 0.6929 (ptp-110) REVERT: O 74 ASP cc_start: 0.7275 (m-30) cc_final: 0.7023 (m-30) REVERT: O 106 TYR cc_start: 0.7620 (m-80) cc_final: 0.7070 (m-80) REVERT: O 108 GLU cc_start: 0.6051 (mp0) cc_final: 0.5593 (mp0) REVERT: O 117 LEU cc_start: 0.7829 (mm) cc_final: 0.7311 (tp) REVERT: O 121 ARG cc_start: 0.7420 (mtt180) cc_final: 0.6774 (mtt-85) REVERT: O 123 GLU cc_start: 0.7634 (tp30) cc_final: 0.7085 (tp30) REVERT: O 147 MET cc_start: 0.6504 (tmm) cc_final: 0.6018 (tmm) REVERT: O 158 GLU cc_start: 0.8006 (tt0) cc_final: 0.7398 (tt0) REVERT: O 164 MET cc_start: 0.7773 (mmm) cc_final: 0.7502 (mmm) REVERT: O 179 VAL cc_start: 0.8460 (m) cc_final: 0.8170 (p) REVERT: O 184 ASN cc_start: 0.7585 (m-40) cc_final: 0.7222 (m-40) REVERT: O 191 GLN cc_start: 0.8419 (mp10) cc_final: 0.7945 (mp10) REVERT: O 194 GLU cc_start: 0.7564 (mt-10) cc_final: 0.7180 (mt-10) REVERT: O 201 SER cc_start: 0.8118 (m) cc_final: 0.7813 (t) REVERT: O 232 THR cc_start: 0.7737 (p) cc_final: 0.7353 (m) REVERT: O 262 ARG cc_start: 0.7944 (mtt-85) cc_final: 0.7552 (mtm-85) REVERT: O 276 ARG cc_start: 0.7323 (tpm170) cc_final: 0.6233 (tpm170) REVERT: O 280 GLN cc_start: 0.7880 (pp30) cc_final: 0.7502 (pp30) REVERT: O 289 LEU cc_start: 0.8386 (pp) cc_final: 0.8160 (pp) REVERT: O 290 THR cc_start: 0.8200 (m) cc_final: 0.7827 (p) REVERT: O 291 GLN cc_start: 0.8056 (pp30) cc_final: 0.7793 (pp30) REVERT: O 292 GLN cc_start: 0.8001 (tt0) cc_final: 0.7643 (tt0) REVERT: O 293 MET cc_start: 0.7623 (mtp) cc_final: 0.6751 (mtp) REVERT: O 295 ASP cc_start: 0.8144 (t70) cc_final: 0.7687 (t70) REVERT: O 312 THR cc_start: 0.6939 (t) cc_final: 0.6165 (t) REVERT: O 313 VAL cc_start: 0.7167 (t) cc_final: 0.6655 (p) REVERT: O 321 MET cc_start: 0.7394 (pmm) cc_final: 0.6794 (pmm) REVERT: O 324 LYS cc_start: 0.7840 (ttpt) cc_final: 0.7619 (ttpt) REVERT: O 327 ASP cc_start: 0.7890 (m-30) cc_final: 0.6906 (m-30) REVERT: O 330 MET cc_start: 0.7472 (ppp) cc_final: 0.7025 (ppp) REVERT: O 331 LEU cc_start: 0.7941 (tp) cc_final: 0.7647 (tp) REVERT: O 355 ASP cc_start: 0.7676 (m-30) cc_final: 0.7461 (m-30) REVERT: O 406 MET cc_start: 0.6808 (mpp) cc_final: 0.6436 (tpp) REVERT: O 415 MET cc_start: 0.7867 (mmm) cc_final: 0.7313 (mmm) REVERT: O 416 ASN cc_start: 0.7349 (m110) cc_final: 0.7129 (m110) REVERT: O 421 GLU cc_start: 0.7242 (tt0) cc_final: 0.6739 (tt0) REVERT: O 422 TYR cc_start: 0.7976 (m-80) cc_final: 0.7762 (m-10) REVERT: X 12 MET cc_start: 0.5037 (mtm) cc_final: 0.4391 (mtm) REVERT: X 19 ASN cc_start: 0.6758 (m-40) cc_final: 0.5591 (m-40) REVERT: X 22 GLU cc_start: 0.6694 (mt-10) cc_final: 0.6281 (mt-10) REVERT: X 105 MET cc_start: 0.5437 (ptt) cc_final: 0.5072 (ppp) REVERT: X 180 MET cc_start: 0.6056 (mmt) cc_final: 0.5834 (mmt) REVERT: X 197 MET cc_start: 0.6186 (tpt) cc_final: 0.5171 (tpt) REVERT: X 250 GLU cc_start: 0.6932 (mm-30) cc_final: 0.6453 (mm-30) REVERT: X 255 ASN cc_start: 0.7379 (m-40) cc_final: 0.6880 (t0) REVERT: X 258 LEU cc_start: 0.6611 (pp) cc_final: 0.5958 (mp) REVERT: X 313 LYS cc_start: 0.7184 (mtmt) cc_final: 0.6929 (mtmt) REVERT: X 323 LYS cc_start: 0.6309 (tptm) cc_final: 0.6043 (tptm) REVERT: G 23 LEU cc_start: 0.8056 (tt) cc_final: 0.7515 (tp) REVERT: G 24 TYR cc_start: 0.7468 (m-80) cc_final: 0.7187 (m-80) REVERT: G 70 ARG cc_start: 0.6581 (mtt90) cc_final: 0.5910 (mtt90) REVERT: G 89 TYR cc_start: 0.5193 (m-80) cc_final: 0.4874 (m-80) REVERT: G 118 LYS cc_start: 0.8672 (mmtt) cc_final: 0.8132 (mmtt) REVERT: G 119 GLU cc_start: 0.7452 (pp20) cc_final: 0.7128 (pp20) REVERT: G 127 ARG cc_start: 0.7845 (mmm160) cc_final: 0.7607 (mmm160) REVERT: G 153 SER cc_start: 0.7485 (p) cc_final: 0.7062 (p) REVERT: G 155 PHE cc_start: 0.7942 (t80) cc_final: 0.7730 (t80) REVERT: G 174 GLU cc_start: 0.5745 (mp0) cc_final: 0.5098 (mp0) REVERT: G 175 PHE cc_start: 0.7140 (m-10) cc_final: 0.6699 (m-10) REVERT: G 191 TYR cc_start: 0.6834 (m-80) cc_final: 0.6476 (m-80) REVERT: G 201 LEU cc_start: 0.8121 (tt) cc_final: 0.7805 (tt) REVERT: G 209 MET cc_start: 0.6893 (mpp) cc_final: 0.6274 (mpp) REVERT: G 237 ILE cc_start: 0.6979 (tp) cc_final: 0.6747 (tt) REVERT: G 240 ILE cc_start: 0.7207 (mt) cc_final: 0.6870 (mt) REVERT: G 262 GLN cc_start: 0.7461 (mp-120) cc_final: 0.7181 (mp-120) REVERT: G 283 SER cc_start: 0.8223 (m) cc_final: 0.7585 (p) REVERT: G 308 MET cc_start: 0.7692 (mmm) cc_final: 0.7194 (mtt) REVERT: G 311 CYS cc_start: 0.8006 (m) cc_final: 0.7458 (m) REVERT: G 319 MET cc_start: 0.5910 (mmm) cc_final: 0.5656 (mmm) REVERT: G 324 LEU cc_start: 0.7726 (pp) cc_final: 0.7498 (pp) REVERT: G 328 ASP cc_start: 0.6892 (p0) cc_final: 0.6629 (p0) REVERT: G 329 VAL cc_start: 0.8601 (t) cc_final: 0.8164 (p) REVERT: G 334 VAL cc_start: 0.8645 (m) cc_final: 0.8093 (t) REVERT: G 344 LYS cc_start: 0.8502 (ttpt) cc_final: 0.8163 (ttpt) REVERT: G 351 ASP cc_start: 0.7069 (p0) cc_final: 0.6814 (p0) REVERT: G 358 LYS cc_start: 0.7072 (tmtt) cc_final: 0.6555 (tmtt) REVERT: G 362 ASN cc_start: 0.7882 (t0) cc_final: 0.7259 (t0) REVERT: G 376 LYS cc_start: 0.7620 (tmtt) cc_final: 0.7375 (tmtt) REVERT: G 378 GLN cc_start: 0.8571 (mm110) cc_final: 0.7757 (mm-40) REVERT: G 401 PHE cc_start: 0.6978 (t80) cc_final: 0.6638 (t80) REVERT: G 407 LYS cc_start: 0.8395 (mmmt) cc_final: 0.7664 (mtpt) REVERT: P 1 MET cc_start: 0.6772 (mmp) cc_final: 0.6409 (mmt) REVERT: P 19 LYS cc_start: 0.8452 (mmmt) cc_final: 0.6989 (mmmt) REVERT: P 22 GLU cc_start: 0.7759 (mt-10) cc_final: 0.7424 (mt-10) REVERT: P 53 GLU cc_start: 0.6138 (tp30) cc_final: 0.5646 (tp30) REVERT: P 73 MET cc_start: 0.8441 (mmt) cc_final: 0.7745 (mmt) REVERT: P 74 ASP cc_start: 0.7661 (m-30) cc_final: 0.7373 (m-30) REVERT: P 86 ARG cc_start: 0.7670 (ttm-80) cc_final: 0.7398 (mtp-110) REVERT: P 103 LYS cc_start: 0.7490 (mttt) cc_final: 0.6728 (mmmm) REVERT: P 121 ARG cc_start: 0.7280 (mtt180) cc_final: 0.6949 (mtt90) REVERT: P 122 LYS cc_start: 0.7706 (ptmt) cc_final: 0.7497 (ptpt) REVERT: P 123 GLU cc_start: 0.8372 (mm-30) cc_final: 0.7644 (mm-30) REVERT: P 147 MET cc_start: 0.5481 (tmm) cc_final: 0.4955 (tmm) REVERT: P 157 GLU cc_start: 0.8173 (pt0) cc_final: 0.7869 (pt0) REVERT: P 160 PRO cc_start: 0.8054 (Cg_endo) cc_final: 0.7842 (Cg_exo) REVERT: P 209 ASP cc_start: 0.6708 (t0) cc_final: 0.6461 (t0) REVERT: P 228 LEU cc_start: 0.7957 (mm) cc_final: 0.7528 (tp) REVERT: P 237 THR cc_start: 0.8020 (m) cc_final: 0.7369 (t) REVERT: P 253 LEU cc_start: 0.8143 (mt) cc_final: 0.7898 (tt) REVERT: P 257 MET cc_start: 0.6835 (mmm) cc_final: 0.6230 (mmm) REVERT: P 266 PHE cc_start: 0.7702 (m-10) cc_final: 0.7477 (m-10) REVERT: P 276 ARG cc_start: 0.7340 (tpm170) cc_final: 0.6570 (tpm170) REVERT: P 280 GLN cc_start: 0.8139 (mt0) cc_final: 0.7792 (mp10) REVERT: P 293 MET cc_start: 0.7705 (mtp) cc_final: 0.7220 (mtp) REVERT: P 295 ASP cc_start: 0.7775 (t70) cc_final: 0.7476 (t70) REVERT: P 309 ARG cc_start: 0.5195 (mtp180) cc_final: 0.4752 (mtp85) REVERT: P 326 VAL cc_start: 0.9010 (m) cc_final: 0.8434 (p) REVERT: P 340 TYR cc_start: 0.7136 (m-80) cc_final: 0.6734 (m-80) REVERT: P 362 LYS cc_start: 0.6786 (mmmt) cc_final: 0.6473 (mmmm) REVERT: P 375 GLN cc_start: 0.7760 (pp30) cc_final: 0.7124 (pp30) REVERT: P 395 LEU cc_start: 0.7336 (mt) cc_final: 0.6967 (mm) REVERT: P 417 ASP cc_start: 0.6343 (m-30) cc_final: 0.6142 (t70) REVERT: P 421 GLU cc_start: 0.7770 (tt0) cc_final: 0.6736 (tt0) REVERT: Z 12 MET cc_start: 0.5975 (mtm) cc_final: 0.5658 (mtm) REVERT: Z 19 ASN cc_start: 0.6657 (m110) cc_final: 0.6273 (m110) REVERT: Z 105 MET cc_start: 0.4592 (ptt) cc_final: 0.4302 (ptt) REVERT: Z 118 TYR cc_start: 0.7530 (t80) cc_final: 0.7083 (t80) REVERT: Z 197 MET cc_start: 0.6623 (tpt) cc_final: 0.6363 (tpt) REVERT: Z 229 LEU cc_start: 0.5794 (mt) cc_final: 0.5566 (mt) REVERT: Z 282 MET cc_start: 0.7314 (tpt) cc_final: 0.6915 (tpt) REVERT: Z 286 LEU cc_start: 0.7230 (mm) cc_final: 0.6765 (mm) REVERT: Z 313 LYS cc_start: 0.8288 (mtmt) cc_final: 0.8029 (mtmt) REVERT: Z 320 GLN cc_start: 0.6603 (mt0) cc_final: 0.6244 (mm-40) REVERT: H 11 GLN cc_start: 0.5645 (tp40) cc_final: 0.5263 (tm-30) REVERT: H 21 TRP cc_start: 0.7973 (m100) cc_final: 0.7211 (m100) REVERT: H 24 TYR cc_start: 0.7564 (m-80) cc_final: 0.7159 (m-80) REVERT: H 70 ARG cc_start: 0.6675 (mtt90) cc_final: 0.6095 (mtt90) REVERT: H 90 ARG cc_start: 0.6862 (mtm-85) cc_final: 0.6484 (mtm-85) REVERT: H 119 GLU cc_start: 0.6869 (pp20) cc_final: 0.6661 (pp20) REVERT: H 139 GLN cc_start: 0.7705 (mm-40) cc_final: 0.7313 (mp10) REVERT: H 155 PHE cc_start: 0.8191 (t80) cc_final: 0.7610 (t80) REVERT: H 172 LYS cc_start: 0.7699 (mtmm) cc_final: 0.7168 (mppt) REVERT: H 174 GLU cc_start: 0.5961 (mp0) cc_final: 0.5552 (mp0) REVERT: H 175 PHE cc_start: 0.7624 (m-80) cc_final: 0.7103 (m-10) REVERT: H 191 TYR cc_start: 0.7331 (m-80) cc_final: 0.7009 (m-80) REVERT: H 195 LEU cc_start: 0.8214 (mt) cc_final: 0.7671 (tt) REVERT: H 239 GLN cc_start: 0.7541 (mm110) cc_final: 0.6905 (tp40) REVERT: H 245 THR cc_start: 0.7291 (t) cc_final: 0.6917 (p) REVERT: H 265 LEU cc_start: 0.8017 (mt) cc_final: 0.7780 (mm) REVERT: H 281 VAL cc_start: 0.8266 (m) cc_final: 0.8028 (p) REVERT: H 289 HIS cc_start: 0.6934 (t-170) cc_final: 0.6099 (t-170) REVERT: H 290 GLU cc_start: 0.8091 (tp30) cc_final: 0.6751 (mm-30) REVERT: H 293 THR cc_start: 0.7364 (t) cc_final: 0.7074 (p) REVERT: H 312 ASP cc_start: 0.7320 (t0) cc_final: 0.6994 (t70) REVERT: H 319 MET cc_start: 0.6042 (mmm) cc_final: 0.5440 (mmm) REVERT: H 385 SER cc_start: 0.7314 (m) cc_final: 0.7112 (p) REVERT: H 396 ARG cc_start: 0.7634 (tmm160) cc_final: 0.7362 (ptt90) REVERT: H 404 MET cc_start: 0.7657 (mpp) cc_final: 0.7279 (mpp) REVERT: H 407 LYS cc_start: 0.7435 (mmmt) cc_final: 0.7167 (mttm) REVERT: H 413 TRP cc_start: 0.6990 (m100) cc_final: 0.6538 (m-10) REVERT: H 430 ASP cc_start: 0.7957 (t0) cc_final: 0.7723 (t0) REVERT: R 2 ARG cc_start: 0.7986 (mtm110) cc_final: 0.7407 (mtm110) REVERT: R 20 PHE cc_start: 0.8482 (t80) cc_final: 0.8068 (t80) REVERT: R 24 ILE cc_start: 0.8314 (pt) cc_final: 0.8008 (pt) REVERT: R 26 ASP cc_start: 0.7389 (m-30) cc_final: 0.7090 (m-30) REVERT: R 37 HIS cc_start: 0.8047 (m-70) cc_final: 0.7792 (m90) REVERT: R 46 ARG cc_start: 0.8188 (mmm160) cc_final: 0.7178 (tpt170) REVERT: R 47 ILE cc_start: 0.8227 (tt) cc_final: 0.7965 (tt) REVERT: R 81 PHE cc_start: 0.6366 (m-80) cc_final: 0.6095 (m-10) REVERT: R 103 LYS cc_start: 0.7821 (mmmm) cc_final: 0.7169 (mmmm) REVERT: R 108 GLU cc_start: 0.6472 (mp0) cc_final: 0.5898 (mp0) REVERT: R 121 ARG cc_start: 0.7521 (mtt90) cc_final: 0.7119 (mtm-85) REVERT: R 128 ASP cc_start: 0.7648 (t0) cc_final: 0.7351 (t0) REVERT: R 147 MET cc_start: 0.6227 (tmm) cc_final: 0.6006 (tmm) REVERT: R 167 PHE cc_start: 0.7362 (m-80) cc_final: 0.6934 (m-10) REVERT: R 200 TYR cc_start: 0.7377 (m-80) cc_final: 0.6127 (m-80) REVERT: R 208 TYR cc_start: 0.7842 (m-80) cc_final: 0.7421 (m-80) REVERT: R 232 THR cc_start: 0.8517 (p) cc_final: 0.8175 (t) REVERT: R 233 MET cc_start: 0.7729 (mtp) cc_final: 0.7444 (mtp) REVERT: R 251 ARG cc_start: 0.7699 (mtp85) cc_final: 0.6634 (mmm-85) REVERT: R 256 ASN cc_start: 0.8546 (m-40) cc_final: 0.7809 (m-40) REVERT: R 257 MET cc_start: 0.6831 (mpp) cc_final: 0.6077 (mpp) REVERT: R 266 PHE cc_start: 0.7508 (m-80) cc_final: 0.6713 (m-80) REVERT: R 267 MET cc_start: 0.8090 (mtt) cc_final: 0.7411 (mtt) REVERT: R 268 PRO cc_start: 0.8315 (Cg_endo) cc_final: 0.7479 (Cg_exo) REVERT: R 292 GLN cc_start: 0.8223 (tt0) cc_final: 0.7473 (tm-30) REVERT: R 293 MET cc_start: 0.7888 (mtp) cc_final: 0.7579 (mtp) REVERT: R 295 ASP cc_start: 0.7646 (t70) cc_final: 0.7366 (t70) REVERT: R 298 ASN cc_start: 0.7409 (t0) cc_final: 0.7011 (t0) REVERT: R 300 MET cc_start: 0.7284 (mtt) cc_final: 0.6708 (mtt) REVERT: R 321 MET cc_start: 0.7692 (ppp) cc_final: 0.6833 (ppp) REVERT: R 326 VAL cc_start: 0.8913 (p) cc_final: 0.8414 (m) REVERT: R 372 THR cc_start: 0.7937 (p) cc_final: 0.7570 (p) REVERT: R 375 GLN cc_start: 0.7948 (pt0) cc_final: 0.7159 (tp40) REVERT: R 379 LYS cc_start: 0.8667 (ptpp) cc_final: 0.7680 (pttm) REVERT: R 385 PHE cc_start: 0.7488 (t80) cc_final: 0.7149 (t80) REVERT: R 388 MET cc_start: 0.7691 (mtp) cc_final: 0.7154 (mtp) REVERT: R 404 ASP cc_start: 0.6314 (t0) cc_final: 0.6109 (t70) REVERT: R 407 GLU cc_start: 0.7949 (mt-10) cc_final: 0.7623 (mt-10) REVERT: R 415 MET cc_start: 0.7709 (mmm) cc_final: 0.7372 (mmm) REVERT: R 424 GLN cc_start: 0.7547 (tm-30) cc_final: 0.7232 (tm-30) REVERT: a 62 TYR cc_start: 0.2625 (t80) cc_final: 0.2050 (t80) REVERT: a 92 THR cc_start: 0.6576 (m) cc_final: 0.6314 (p) REVERT: a 95 MET cc_start: 0.6024 (mpp) cc_final: 0.5731 (mpp) REVERT: a 122 MET cc_start: 0.5228 (mmp) cc_final: 0.4977 (mmp) REVERT: a 228 TYR cc_start: 0.6356 (m-10) cc_final: 0.5499 (m-10) outliers start: 5 outliers final: 2 residues processed: 3168 average time/residue: 0.8111 time to fit residues: 4318.4244 Evaluate side-chains 3008 residues out of total 9153 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 3006 time to evaluate : 7.212 ------------------------------------------------------------------------------- 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: 7.9990 chunk 657 optimal weight: 7.9990 chunk 882 optimal weight: 6.9990 chunk 253 optimal weight: 2.9990 chunk 763 optimal weight: 0.9980 chunk 122 optimal weight: 7.9990 chunk 230 optimal weight: 7.9990 chunk 829 optimal weight: 0.1980 chunk 347 optimal weight: 0.0040 chunk 851 optimal weight: 0.8980 chunk 105 optimal weight: 0.9980 overall best weight: 0.6192 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: Q 292 GLN ** Q 384 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 28 HIS ** K 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 329 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 347 ASN U 8 ASN ** D 299 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 HIS ** E 15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 198 HIS ** E 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 37 HIS N 190 HIS N 195 ASN ** N 424 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 58 GLN ** F 8 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 239 GLN F 255 ASN F 289 HIS O 28 HIS ** O 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN ** X 34 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 262 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 289 HIS G 306 ASN ** P 14 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 334 GLN ** P 347 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 426 GLN ** Z 60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 190 HIS R 347 ASN R 426 GLN ** a 58 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4464 r_free = 0.4464 target = 0.169126 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 51)----------------| | r_work = 0.4060 r_free = 0.4060 target = 0.135950 restraints weight = 140968.750| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 40)----------------| | r_work = 0.4128 r_free = 0.4128 target = 0.140843 restraints weight = 79208.214| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 43)----------------| | r_work = 0.4173 r_free = 0.4173 target = 0.144219 restraints weight = 49455.141| |-----------------------------------------------------------------------------| r_work (final): 0.4128 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6523 moved from start: 0.5731 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.052 85860 Z= 0.140 Angle : 0.569 9.961 116442 Z= 0.280 Chirality : 0.043 0.299 12825 Planarity : 0.003 0.056 15075 Dihedral : 8.750 163.080 12231 Min Nonbonded Distance : 2.060 Molprobity Statistics. All-atom Clashscore : 12.95 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.57 % Favored : 97.43 % Rotamer: Outliers : 0.07 % Allowed : 0.19 % Favored : 99.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.26 % 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: -0.54 (0.08), residues: 10530 helix: -0.04 (0.08), residues: 4230 sheet: 0.16 (0.13), residues: 1755 loop : -0.74 (0.09), residues: 4545 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.043 0.002 TRP H 413 HIS 0.013 0.001 HIS G 289 PHE 0.029 0.001 PHE I 155 TYR 0.022 0.001 TYR H 438 ARG 0.013 0.000 ARG J 390 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 50777.37 seconds wall clock time: 877 minutes 0.23 seconds (52620.23 seconds total)