| { |
| "failed": false, |
| "score": 0.7019829858354867, |
| "systems": [ |
| { |
| "structure_name": "chignolin_1uao_xray", |
| "rmsd_backbone_dihedrals": { |
| "TYR": 0.004985185152621432, |
| "PRO": 0.006083700980335478, |
| "GLU": 0.005462106426329101, |
| "THR": 0.003198534928339851, |
| "GLY": 0.0049762319911529915, |
| "ASP": 0.005416363265198379, |
| "TRP": 0.004049959934776273 |
| }, |
| "hellinger_distance_backbone_dihedrals": { |
| "TYR": 0.941546861634972, |
| "PRO": 0.9605250311482098, |
| "GLU": 0.9571179297398235, |
| "THR": 0.9036121394734444, |
| "GLY": 0.9519576146457622, |
| "ASP": 0.9301787148937912, |
| "TRP": 0.9237081513945884 |
| }, |
| "rmsd_sidechain_dihedrals": { |
| "TYR": 0.004636702902570545, |
| "PRO": 0.0623345937494524, |
| "GLU": 0.0005594750178900977, |
| "THR": 0.056322775990996915, |
| "ASP": 0.00431763267464928, |
| "TRP": 0.005375172094577178 |
| }, |
| "outliers_ratio_backbone_dihedrals": { |
| "TYR": 0.0, |
| "PRO": 0.038461538461538464, |
| "GLU": 0.0, |
| "THR": 0.038461538461538464, |
| "GLY": 0.0, |
| "ASP": 0.0, |
| "TRP": 0.15384615384615385 |
| }, |
| "hellinger_distance_sidechain_dihedrals": { |
| "TYR": 0.9210697326266897, |
| "PRO": 0.7106902714969592, |
| "GLU": 0.9948451992744969, |
| "THR": 0.6738832020731589, |
| "ASP": 0.9488920315339584, |
| "TRP": 1.0 |
| }, |
| "outliers_ratio_sidechain_dihedrals": { |
| "TYR": 0.0, |
| "PRO": 0.0, |
| "GLU": 0.5384615384615384, |
| "THR": 0.0, |
| "ASP": 0.46153846153846156, |
| "TRP": 0.0 |
| }, |
| "failed": false |
| }, |
| { |
| "structure_name": "trp_cage_2jof_xray", |
| "rmsd_backbone_dihedrals": { |
| "LYS": 0.004960167659458656, |
| "ARG": 0.004615384615384616, |
| "LEU": 0.006598346342269639, |
| "GLN": 0.007050116453778217, |
| "TYR": 0.006242621124646065, |
| "PRO": 0.0033739057885516753, |
| "ALA": 0.005373051176217092, |
| "SER": 0.004173026879350154, |
| "GLY": 0.0029606418792732583, |
| "ASP": 0.0050100777241370974, |
| "TRP": 0.006174028691315316 |
| }, |
| "hellinger_distance_backbone_dihedrals": { |
| "LYS": 0.9246532738986848, |
| "ARG": 0.9346659476975919, |
| "LEU": 0.9429945435195145, |
| "GLN": 0.9617070143496509, |
| "TYR": 0.9510365768680266, |
| "PRO": 0.8822804544576374, |
| "ALA": 0.9404678957854747, |
| "SER": 0.9235545719014386, |
| "GLY": 0.925976426269098, |
| "ASP": 0.9539970368045773, |
| "TRP": 0.9571179297398235 |
| }, |
| "rmsd_sidechain_dihedrals": { |
| "LYS": 7.856151068648723e-05, |
| "ARG": 7.852368561646203e-05, |
| "LEU": 0.0063120685256877794, |
| "GLN": 0.00056037986852176, |
| "TYR": 0.005160156871153361, |
| "PRO": 0.0601096138772607, |
| "SER": 0.07444733918439987, |
| "ASP": 0.006223690736390376, |
| "TRP": 0.007032290593510235 |
| }, |
| "outliers_ratio_backbone_dihedrals": { |
| "LYS": 0.0, |
| "ARG": 0.0, |
| "LEU": 0.0, |
| "GLN": 0.0, |
| "TYR": 0.0, |
| "PRO": 0.04807692307692308, |
| "ALA": 0.0, |
| "SER": 0.0, |
| "GLY": 0.038461538461538464, |
| "ASP": 0.0, |
| "TRP": 0.0 |
| }, |
| "hellinger_distance_sidechain_dihedrals": { |
| "LYS": 1.0, |
| "ARG": 1.0, |
| "LEU": 1.0, |
| "GLN": 0.9971241980292084, |
| "TYR": 1.0, |
| "PRO": 0.7338322022434496, |
| "SER": 1.0, |
| "ASP": 1.0, |
| "TRP": 0.9342793437954886 |
| }, |
| "outliers_ratio_sidechain_dihedrals": { |
| "LYS": 0.07692307692307693, |
| "ARG": 0.0, |
| "LEU": 0.0, |
| "GLN": 0.0, |
| "TYR": 1.0, |
| "PRO": 0.0, |
| "SER": 0.0, |
| "ASP": 0.7692307692307693, |
| "TRP": 0.0 |
| }, |
| "failed": false |
| }, |
| { |
| "structure_name": "orexin_beta_1cq0_nmr", |
| "rmsd_backbone_dihedrals": { |
| "LEU": 0.0035223877449939195, |
| "GLN": 0.0045138225440860685, |
| "PRO": 0.0038983457720311557, |
| "ALA": 0.003525485517338974, |
| "THR": 0.003932880791049726, |
| "SER": 0.0033031590670637876, |
| "GLY": 0.0027450948684060415, |
| "ASN": 0.004549603798048136, |
| "ILE": 0.0058996607257457085, |
| "HIS": 0.0052012559105717475, |
| "ARG": 0.005325495178657948 |
| }, |
| "hellinger_distance_backbone_dihedrals": { |
| "LEU": 0.922056642951737, |
| "GLN": 0.9243425625335587, |
| "PRO": 0.9159911334724374, |
| "ALA": 0.9334359578686101, |
| "THR": 0.9369193620606957, |
| "SER": 0.8894004672568718, |
| "GLY": 0.9200383585054815, |
| "ASN": 0.9689731397216903, |
| "ILE": 0.9505144494259505, |
| "HIS": 0.9410256129248028, |
| "ARG": 0.9409331354051007 |
| }, |
| "rmsd_sidechain_dihedrals": { |
| "LEU": 0.004060683670734186, |
| "GLN": 0.0003488477983681155, |
| "PRO": 0.06962140503787417, |
| "THR": 0.08233125311796063, |
| "SER": 0.04741856925360752, |
| "ASN": 0.004604319184419103, |
| "ILE": 0.00530267321218895, |
| "HIS": 0.005742441059779598, |
| "ARG": 5.765703515671279e-05 |
| }, |
| "outliers_ratio_backbone_dihedrals": { |
| "LEU": 0.05384615384615385, |
| "GLN": 0.0, |
| "PRO": 0.019230769230769232, |
| "ALA": 0.28205128205128205, |
| "THR": 0.07692307692307693, |
| "SER": 0.019230769230769232, |
| "GLY": 0.007692307692307693, |
| "ASN": 0.2692307692307692, |
| "ILE": 0.0, |
| "HIS": 0.0, |
| "ARG": 0.0 |
| }, |
| "hellinger_distance_sidechain_dihedrals": { |
| "LEU": 0.9403398153130312, |
| "GLN": 0.9926544423342177, |
| "PRO": 0.7801249669753423, |
| "THR": 1.0, |
| "SER": 0.7228344967079439, |
| "ASN": 1.0, |
| "ILE": 1.0, |
| "HIS": 1.0, |
| "ARG": 0.9981877035538792 |
| }, |
| "outliers_ratio_sidechain_dihedrals": { |
| "LEU": 0.1, |
| "GLN": 0.038461538461538464, |
| "PRO": 0.0, |
| "THR": 0.0, |
| "SER": 0.0, |
| "ASN": 0.15384615384615385, |
| "ILE": 0.19230769230769232, |
| "HIS": 0.0, |
| "ARG": 0.019230769230769232 |
| }, |
| "failed": false |
| } |
| ], |
| "exploded_systems": [], |
| "rmsd_backbone_total": 0.004849399907021823, |
| "hellinger_distance_backbone_total": 0.9375236563300142, |
| "rmsd_sidechain_total": 0.016617943776793605, |
| "hellinger_distance_sidechain_total": 0.9500733449402524, |
| "outliers_ratio_backbone_total": 0.03950320512820513, |
| "outliers_ratio_sidechain_total": 0.15398351648351652, |
| "rmsd_backbone_dihedrals": { |
| "TYR": 0.0056139031386337485, |
| "PRO": 0.0044519841803061025, |
| "GLU": 0.005462106426329101, |
| "THR": 0.003565707859694789, |
| "GLY": 0.00356065624627743, |
| "ASP": 0.005213220494667738, |
| "TRP": 0.005111994313045795, |
| "LYS": 0.004960167659458656, |
| "ARG": 0.004970439897021282, |
| "LEU": 0.005060367043631779, |
| "GLN": 0.005781969498932143, |
| "ALA": 0.004449268346778033, |
| "SER": 0.003738092973206971, |
| "ASN": 0.004549603798048136, |
| "ILE": 0.0058996607257457085, |
| "HIS": 0.0052012559105717475 |
| }, |
| "hellinger_distance_backbone_dihedrals": { |
| "TYR": 0.9462917192514992, |
| "PRO": 0.9195988730260948, |
| "GLU": 0.9571179297398235, |
| "THR": 0.9202657507670701, |
| "GLY": 0.9326574664734473, |
| "ASP": 0.9420878758491842, |
| "TRP": 0.940413040567206, |
| "LYS": 0.9246532738986848, |
| "ARG": 0.9377995415513463, |
| "LEU": 0.9325255932356258, |
| "GLN": 0.9430247884416048, |
| "ALA": 0.9369519268270424, |
| "SER": 0.9064775195791552, |
| "ASN": 0.9689731397216903, |
| "ILE": 0.9505144494259505, |
| "HIS": 0.9410256129248028 |
| }, |
| "rmsd_sidechain_dihedrals": { |
| "TYR": 0.004898429886861953, |
| "PRO": 0.06402187088819576, |
| "GLU": 0.0005594750178900977, |
| "THR": 0.06932701455447877, |
| "ASP": 0.005270661705519828, |
| "TRP": 0.006203731344043706, |
| "LYS": 7.856151068648723e-05, |
| "ARG": 6.809036038658741e-05, |
| "LEU": 0.005186376098210982, |
| "GLN": 0.0004546138334449377, |
| "SER": 0.060932954219003695, |
| "ASN": 0.004604319184419103, |
| "ILE": 0.00530267321218895, |
| "HIS": 0.005742441059779598 |
| }, |
| "hellinger_distance_sidechain_dihedrals": { |
| "TYR": 0.9605348663133448, |
| "PRO": 0.7415491469052503, |
| "GLU": 0.9948451992744969, |
| "THR": 0.8369416010365794, |
| "ASP": 0.9744460157669792, |
| "TRP": 0.9671396718977443, |
| "LYS": 1.0, |
| "ARG": 0.9990938517769397, |
| "LEU": 0.9701699076565156, |
| "GLN": 0.994889320181713, |
| "SER": 0.8614172483539719, |
| "ASN": 1.0, |
| "ILE": 1.0, |
| "HIS": 1.0 |
| }, |
| "outliers_ratio_backbone_dihedrals": { |
| "TYR": 0.0, |
| "PRO": 0.035256410256410256, |
| "GLU": 0.0, |
| "THR": 0.057692307692307696, |
| "GLY": 0.015384615384615385, |
| "ASP": 0.0, |
| "TRP": 0.07692307692307693, |
| "LYS": 0.0, |
| "ARG": 0.0, |
| "LEU": 0.026923076923076925, |
| "GLN": 0.0, |
| "ALA": 0.14102564102564102, |
| "SER": 0.009615384615384616, |
| "ASN": 0.2692307692307692, |
| "ILE": 0.0, |
| "HIS": 0.0 |
| }, |
| "outliers_ratio_sidechain_dihedrals": { |
| "TYR": 0.5, |
| "PRO": 0.0, |
| "GLU": 0.5384615384615384, |
| "THR": 0.0, |
| "ASP": 0.6153846153846154, |
| "TRP": 0.0, |
| "LYS": 0.07692307692307693, |
| "ARG": 0.009615384615384616, |
| "LEU": 0.05, |
| "GLN": 0.019230769230769232, |
| "SER": 0.0, |
| "ASN": 0.15384615384615385, |
| "ILE": 0.19230769230769232, |
| "HIS": 0.0 |
| } |
| } |
