test_lig_XMLObjects.fasc

{"pdb_name": "test_lig_XMLObjects", "decoy": "test_lig_XMLObjects_1.pdb", "filename": "test_lig_XMLObjects_1.pdb", "nstruct": 5, "interfE": -28.276439666748047, "rmsd_chX": 0.6314867734909058, "dslf_fa13": 0.0, "fa_atr": -2141.7902474650364, "fa_dun": 1987.7127216265078, "fa_elec": -505.30316124909905, "fa_intra_rep": 7.7494403421334574, "fa_intra_sol_xover4": 90.39468427459417, "fa_rep": 745.5461184273344, "fa_sol": 1338.9707066107806, "hbond_bb_sc": -52.12170518914322, "hbond_lr_bb": -49.47662475635379, "hbond_sc": -25.10072936397553, "hbond_sr_bb": -94.27729408686537, "lk_ball_wtd": -50.97489492388138, "omega": 6.577555787008769, "p_aa_pp": -50.69608525226381, "pro_close": 114.30677313210964, "rama_prepro": 53.02020584750763, "ref": 81.74633999999999, "total_score": 1456.9713387560716, "yhh_planarity": 0.6875349947138699, "rmsd": 0.14935754239559174}
{"pdb_name": "test_lig_XMLObjects", "decoy": "test_lig_XMLObjects_2.pdb", "filename": "test_lig_XMLObjects_2.pdb", "nstruct": 5, "interfE": -9.164488792419434, "rmsd_chX": 13.237048149108887, "dslf_fa13": 0.0, "fa_atr": -2108.199196319752, "fa_dun": 2097.169779586058, "fa_elec": -483.6972055153051, "fa_intra_rep": 7.8637725700290595, "fa_intra_sol_xover4": 91.58332168972116, "fa_rep": 793.0971496608953, "fa_sol": 1317.2749871595422, "hbond_bb_sc": -47.20724585142396, "hbond_lr_bb": -47.4964926225477, "hbond_sc": -18.947921404273675, "hbond_sr_bb": -91.17921691440175, "lk_ball_wtd": -48.39856828683678, "omega": 1.438326383235665, "p_aa_pp": -49.32334975829162, "pro_close": 91.42587922832327, "rama_prepro": 55.02191964192772, "ref": 81.74633999999999, "total_score": 1642.3566137001687, "yhh_planarity": 0.1843344532685609, "rmsd": 0.07827550917863846}
{"pdb_name": "test_lig_XMLObjects", "decoy": "test_lig_XMLObjects_3.pdb", "filename": "test_lig_XMLObjects_3.pdb", "nstruct": 5, "interfE": 2.542285442352295, "rmsd_chX": 9.790555953979492, "dslf_fa13": 0.0, "fa_atr": -2114.363249360693, "fa_dun": 2059.264862650821, "fa_elec": -471.4618453279681, "fa_intra_rep": 7.815460550803436, "fa_intra_sol_xover4": 90.77289352528197, "fa_rep": 784.6272460432472, "fa_sol": 1318.093586497467, "hbond_bb_sc": -47.347563904591524, "hbond_lr_bb": -48.06449348359369, "hbond_sc": -19.108475181001193, "hbond_sr_bb": -91.26649106619875, "lk_ball_wtd": -49.7043176080403, "omega": 1.6805101711714636, "p_aa_pp": -49.95719952552051, "pro_close": 85.98349720874606, "rama_prepro": 52.885134883149355, "ref": 81.74633999999999, "total_score": 1591.6724706135003, "yhh_planarity": 0.07657454041989163, "rmsd": 0.11865745484828949}
{"pdb_name": "test_lig_XMLObjects", "decoy": "test_lig_XMLObjects_0.pdb", "filename": "test_lig_XMLObjects_0.pdb", "nstruct": 5, "interfE": -11.798166275024414, "rmsd_chX": 18.723388671875, "dslf_fa13": 0.0, "fa_atr": -2101.634782272466, "fa_dun": 2017.207462590899, "fa_elec": -484.02197194798987, "fa_intra_rep": 7.764689697220058, "fa_intra_sol_xover4": 90.95757109243178, "fa_rep": 767.7818498141805, "fa_sol": 1307.2766295434838, "hbond_bb_sc": -48.11307586377084, "hbond_lr_bb": -47.98568944707183, "hbond_sc": -19.124102634527897, "hbond_sr_bb": -93.72270319153041, "lk_ball_wtd": -48.71382181978028, "omega": -0.006493684072983386, "p_aa_pp": -51.99912981834432, "pro_close": 92.2425221056495, "rama_prepro": 49.96611795753402, "ref": 81.74633999999999, "total_score": 1519.846938429006, "yhh_planarity": 0.22552630716166397, "rmsd": 0.13650980591773987}
{"pdb_name": "test_lig_XMLObjects", "decoy": "test_lig_XMLObjects_4.pdb", "filename": "test_lig_XMLObjects_4.pdb", "nstruct": 5, "interfE": -15.162686347961426, "rmsd_chX": 11.43503475189209, "dslf_fa13": 0.0, "fa_atr": -2117.5112391585876, "fa_dun": 2101.4125177796986, "fa_elec": -484.39537305739316, "fa_intra_rep": 7.875634354629412, "fa_intra_sol_xover4": 91.66863728053588, "fa_rep": 788.8315330823226, "fa_sol": 1329.6154029468555, "hbond_bb_sc": -48.468502270567704, "hbond_lr_bb": -47.2340709594492, "hbond_sc": -20.60921252811428, "hbond_sr_bb": -92.39124827773652, "lk_ball_wtd": -49.59380961448767, "omega": -0.45418512156410246, "p_aa_pp": -51.31112801356702, "pro_close": 85.34917849170964, "rama_prepro": 53.3863521248787, "ref": 81.74633999999999, "total_score": 1628.146162569385, "yhh_planarity": 0.22933551022246648, "rmsd": 0.0928526222705841}