schrodinger.protein.analysis_params module

schrodinger.protein.analysis_params.sidechain_dihedral_atomnames = {' ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'A': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'ARG ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'ASN ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' OD1']], 'ASP ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' OD1']], 'CYS ': [[' N ', ' CA ', ' CB ', ' SG ']], 'G': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'GLN ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'GLU ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'H': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'HID ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' ND1']], 'HIE ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' ND1']], 'HIP ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' ND1']], 'HIS ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' ND1']], 'ILE ': [[' N ', ' CA ', ' CB ', ' CG1'], [' CA ', ' CB ', ' CG1', ' CD1']], 'L': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'LEU ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD1']], 'LYS ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'MET ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' SD ']], 'N': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'PHE ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD1']], 'PRO ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'R': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']], 'S': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' OD1']], 'SER ': [[' N ', ' CA ', ' CB ', ' OG ']], 'THR ': [[' N ', ' CA ', ' CB ', ' OG1']], 'TRP ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD1']], 'TYR ': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD1']], 'VAL ': [[' N ', ' CA ', ' CB ', ' CG1']], 'Y': [[' N ', ' CA ', ' CB ', ' CG '], [' CA ', ' CB ', ' CG ', ' CD ']]}

Dictionary containing atom names for amino acid sidechains, keys are residue names and values are lists of lists of atom names, one list for each sidechain. NOTE: only Chi1 and Chi2 atoms are included for each residue. Deprecated; use mmrotamer library or structure.get_atom_names_for_chi_angle() function instead.

schrodinger.protein.analysis_params.backbone_dihedrals = {' ': {'-150.0,0.0': 1.7e-05, '60.0,10.0': 0.00026, '140.0,140.0': 1.7e-05, '-90.0,0.0': 0.007755, '-140.0,130.0': 0.005591, '-140.0,140.0': 0.009036, '70.0,-70.0': 1.7e-05, '-90.0,-100.0': 1.7e-05, '-140.0,-110.0': 1.7e-05, '60.0,30.0': 0.002995, '-110.0,100.0': 0.001212, '90.0,-30.0': 3.5e-05, '80.0,110.0': 1.7e-05, '70.0,30.0': 0.000883, '-130.0,60.0': 0.000796, '70.0,50.0': 0.000104, '80.0,170.0': 3.5e-05, '-140.0,60.0': 0.000606, '-140.0,0.0': 0.000173, '-50.0,170.0': 1.7e-05, '-140.0,70.0': 0.000796, '70.0,40.0': 0.000225, '-140.0,100.0': 0.000519, '180.0,80.0': 1.7e-05, '140.0,130.0': 1.7e-05, '60.0,-50.0': 1.7e-05, '-90.0,-170.0': 6.9e-05, '-120.0,-140.0': 6.9e-05, '-90.0,-50.0': 0.000658, '70.0,10.0': 0.00116, '80.0,130.0': 1.7e-05, '-140.0,20.0': 0.000329, '30.0,60.0': 1.7e-05, '70.0,-30.0': 3.5e-05, '-170.0,10.0': 1.7e-05, '-50.0,140.0': 0.002233, '-110.0,170.0': 0.001073, '-90.0,-60.0': 0.00045, '-110.0,-90.0': 3.5e-05, '-170.0,-150.0': 1.7e-05, '-170.0,140.0': 0.000346, '-130.0,90.0': 0.000796, '-110.0,120.0': 0.005228, '-110.0,150.0': 0.004656, '-120.0,150.0': 0.00798, '-90.0,-130.0': 1.7e-05, '50.0,-140.0': 0.000173, '-40.0,100.0': 1.7e-05, '-70.0,180.0': 0.000173, '70.0,60.0': 1.7e-05, '-140.0,120.0': 0.002718, '-140.0,50.0': 0.000346, '80.0,140.0': 6.9e-05, '60.0,-40.0': 1.7e-05, '-80.0,-150.0': 1.7e-05, '-150.0,-10.0': 1.7e-05, '-70.0,-10.0': 0.009642, '-170.0,100.0': 1.7e-05, '-110.0,110.0': 0.003081, '-170.0,160.0': 0.001714, '-110.0,130.0': 0.009105, '-120.0,170.0': 0.001316, '-120.0,140.0': 0.009174, '-20.0,110.0': 3.5e-05, '-130.0,80.0': 0.001108, '-160.0,-40.0': 1.7e-05, '-140.0,-30.0': 8.7e-05, '-170.0,170.0': 0.001402, '-20.0,130.0': 1.7e-05, '-50.0,160.0': 0.000173, '-10.0,-70.0': 1.7e-05, '70.0,20.0': 0.001142, '-140.0,10.0': 0.000381, '170.0,20.0': 1.7e-05, '80.0,70.0': 1.7e-05, '60.0,-120.0': 6.9e-05, '-80.0,-170.0': 3.5e-05, '-70.0,90.0': 3.5e-05, '-170.0,120.0': 0.000104, '-130.0,100.0': 0.001056, '-70.0,-30.0': 0.03121, '-100.0,60.0': 8.7e-05, '-40.0,120.0': 6.9e-05, '-100.0,-120.0': 1.7e-05, '-80.0,-160.0': 6.9e-05, '70.0,-90.0': 1.7e-05, '-70.0,100.0': 0.000121, '-70.0,-50.0': 0.013086, '-100.0,80.0': 0.000225, '90.0,0.0': 5.2e-05, '-90.0,-40.0': 0.00206, '-150.0,90.0': 0.000121, '-100.0,-80.0': 6.9e-05, '-60.0,10.0': 1.7e-05, '170.0,30.0': 1.7e-05, '-110.0,50.0': 0.000121, '-40.0,110.0': 3.5e-05, '-130.0,140.0': 0.011096, '-170.0,150.0': 0.000866, '-150.0,130.0': 0.002441, '-70.0,30.0': 1.7e-05, '140.0,150.0': 1.7e-05, '40.0,40.0': 0.000138, '-150.0,80.0': 0.000156, '-10.0,100.0': 1.7e-05, '90.0,-110.0': 1.7e-05, '-120.0,160.0': 0.004206, '-140.0,-10.0': 0.000156, '-140.0,-20.0': 8.7e-05, '70.0,160.0': 1.7e-05, '-170.0,110.0': 3.5e-05, '-120.0,100.0': 0.001367, '-100.0,-70.0': 0.000121, '-50.0,100.0': 1.7e-05, '-80.0,90.0': 0.000606, '180.0,60.0': 1.7e-05, '-110.0,90.0': 0.000398, '-70.0,40.0': 1.7e-05, '-70.0,70.0': 1.7e-05, '170.0,160.0': 1.7e-05, '-110.0,80.0': 0.00019, '-130.0,120.0': 0.004933, '-40.0,130.0': 0.000485, '-10.0,110.0': 1.7e-05, '-70.0,-20.0': 0.018279, '-100.0,70.0': 0.000312, '-100.0,-100.0': 0.000121, '-110.0,-50.0': 0.000537, '-70.0,-40.0': 0.070833, '-140.0,-50.0': 0.000156, '-120.0,-170.0': 0.000156, '-130.0,130.0': 0.008655, '-140.0,30.0': 0.000467, '-130.0,110.0': 0.002008, '-150.0,-160.0': 3.5e-05, '-100.0,130.0': 0.007322, '-130.0,-170.0': 0.000173, '-100.0,-50.0': 0.000589, '-100.0,-60.0': 0.000173, '80.0,20.0': 5.2e-05, '-80.0,70.0': 0.00071, '40.0,60.0': 0.000415, '-100.0,110.0': 0.003133, '-130.0,-150.0': 1.7e-05, '-110.0,180.0': 0.00026, '-100.0,-30.0': 0.002112, '-100.0,90.0': 0.000537, '-110.0,40.0': 0.000208, '-160.0,180.0': 0.000606, '-130.0,160.0': 0.007218, '-100.0,-140.0': 5.2e-05, '-100.0,-110.0': 1.7e-05, '-150.0,70.0': 0.00026, '-130.0,150.0': 0.01113, '-90.0,-70.0': 6.9e-05, '-30.0,120.0': 5.2e-05, '40.0,50.0': 0.000571, '-100.0,150.0': 0.0036, '-130.0,-110.0': 6.9e-05, '-130.0,170.0': 0.002458, '60.0,0.0': 1.7e-05, '-90.0,130.0': 0.006578, '-100.0,-150.0': 5.2e-05, '60.0,-110.0': 5.2e-05, '-90.0,20.0': 0.000415, '-150.0,30.0': 6.9e-05, '-160.0,-10.0': 1.7e-05, '90.0,160.0': 1.7e-05, '-110.0,-110.0': 3.5e-05, '-50.0,-60.0': 0.000606, '-50.0,-50.0': 0.012688, '150.0,180.0': 1.7e-05, '-150.0,-60.0': 3.5e-05, '-90.0,180.0': 0.000433, '-90.0,170.0': 0.001316, '-140.0,-70.0': 3.5e-05, '-170.0,130.0': 0.000156, '160.0,150.0': 1.7e-05, '-130.0,-160.0': 0.000138, '-100.0,120.0': 0.006024, '40.0,70.0': 6.9e-05, '-100.0,-40.0': 0.001558, '-140.0,80.0': 0.000415, '-130.0,-140.0': 3.5e-05, '-80.0,50.0': 5.2e-05, '-80.0,60.0': 0.00026, '-100.0,170.0': 0.001091, '-100.0,100.0': 0.001402, '-100.0,-20.0': 0.002822, '120.0,-100.0': 1.7e-05, '-90.0,80.0': 0.000727, '60.0,-160.0': 6.9e-05, '-100.0,-160.0': 8.7e-05, '-50.0,-40.0': 0.012307, '-150.0,-40.0': 1.7e-05, '-90.0,-80.0': 6.9e-05, '60.0,-140.0': 6.9e-05, '-150.0,50.0': 3.5e-05, '-90.0,140.0': 0.005712, '-80.0,10.0': 0.000727, '90.0,-10.0': 3.5e-05, '90.0,140.0': 3.5e-05, '-150.0,-170.0': 0.000138, '-150.0,40.0': 3.5e-05, '-130.0,-100.0': 1.7e-05, '-100.0,140.0': 0.005539, '-130.0,-120.0': 3.5e-05, '-80.0,40.0': 3.5e-05, '-150.0,60.0': 0.000208, '-130.0,-40.0': 0.000381, '100.0,-50.0': 1.7e-05, '80.0,40.0': 1.7e-05, '-90.0,-30.0': 0.003272, '90.0,50.0': 1.7e-05, '-90.0,30.0': 0.000121, '-150.0,10.0': 8.7e-05, '-90.0,-10.0': 0.006907, '-110.0,-100.0': 3.5e-05, '90.0,150.0': 1.7e-05, '-150.0,20.0': 6.9e-05, '80.0,-130.0': 1.7e-05, '-160.0,110.0': 0.000156, '-80.0,140.0': 0.007893, '-140.0,-60.0': 0.000104, '-90.0,-20.0': 0.004379, '-170.0,180.0': 0.000138, '70.0,-120.0': 1.7e-05, '-100.0,180.0': 0.000346, '-40.0,-80.0': 3.5e-05, '-140.0,90.0': 0.000398, '170.0,110.0': 1.7e-05, '60.0,170.0': 3.5e-05, '50.0,50.0': 0.002977, '-50.0,-30.0': 0.002648, '80.0,-50.0': 0.000104, '-120.0,60.0': 0.000173, '-100.0,-170.0': 0.000104, '-130.0,-90.0': 3.5e-05, '-90.0,150.0': 0.004102, '-150.0,180.0': 0.000589, '-160.0,150.0': 0.002475, '50.0,70.0': 0.000156, '-140.0,-90.0': 1.7e-05, '-150.0,-50.0': 1.7e-05, '-90.0,90.0': 0.000762, '60.0,-60.0': 3.5e-05, '60.0,-150.0': 3.5e-05, '-150.0,-30.0': 3.5e-05, '80.0,-10.0': 0.000346, '-110.0,-170.0': 0.000138, '-80.0,180.0': 0.000277, '-120.0,-10.0': 0.001714, '-90.0,110.0': 0.003168, '-130.0,-60.0': 0.000225, '50.0,30.0': 0.000675, '-60.0,100.0': 1.7e-05, '50.0,-60.0': 1.7e-05, '10.0,-50.0': 1.7e-05, '-110.0,30.0': 0.001021, '80.0,30.0': 5.2e-05, '-110.0,-130.0': 3.5e-05, '-130.0,-70.0': 3.5e-05, '70.0,180.0': 5.2e-05, '-130.0,-50.0': 0.000242, '60.0,-130.0': 3.5e-05, '-100.0,10.0': 0.005193, '-100.0,20.0': 0.001679, '-30.0,110.0': 1.7e-05, '-160.0,130.0': 0.000762, '50.0,-70.0': 1.7e-05, '-80.0,-80.0': 1.7e-05, '-100.0,40.0': 0.000156, '-40.0,90.0': 1.7e-05, '-80.0,150.0': 0.005937, '-130.0,-20.0': 0.000623, '80.0,-20.0': 6.9e-05, '-110.0,-20.0': 0.001973, '80.0,-170.0': 1.7e-05, '-160.0,0.0': 1.7e-05, '-90.0,160.0': 0.002718, '-160.0,120.0': 0.000364, '-60.0,140.0': 0.01068, '-160.0,100.0': 5.2e-05, '180.0,10.0': 1.7e-05, '-60.0,120.0': 0.001818, '-130.0,-10.0': 0.000692, '-110.0,20.0': 0.002925, '-110.0,10.0': 0.003704, '-50.0,-20.0': 0.000104, '40.0,-120.0': 3.5e-05, '-160.0,-140.0': 1.7e-05, '-70.0,20.0': 1.7e-05, '-60.0,130.0': 0.008568, '-120.0,0.0': 0.001593, '70.0,0.0': 0.000658, '-120.0,-130.0': 8.7e-05, '-110.0,70.0': 0.00019, '-130.0,-30.0': 0.000398, '-160.0,170.0': 0.002943, '80.0,10.0': 0.00019, '-120.0,70.0': 0.000675, '-120.0,40.0': 0.000398, '-100.0,-130.0': 1.7e-05, '-110.0,-150.0': 1.7e-05, '80.0,0.0': 0.000502, '50.0,60.0': 0.001246, '50.0,10.0': 1.7e-05, '-30.0,-50.0': 1.7e-05, '-90.0,120.0': 0.005574, '-70.0,-170.0': 1.7e-05, '-150.0,160.0': 0.006266, '-60.0,160.0': 0.001523, '-160.0,140.0': 0.002337, '50.0,90.0': 1.7e-05, '70.0,120.0': 1.7e-05, '-130.0,-130.0': 1.7e-05, '-110.0,-10.0': 0.00225, '-110.0,-160.0': 6.9e-05, '-100.0,160.0': 0.002146, '-160.0,160.0': 0.004881, '-120.0,-30.0': 0.00116, '50.0,40.0': 0.003081, '180.0,180.0': 0.000121, '-60.0,0.0': 6.9e-05, '60.0,100.0': 1.7e-05, '50.0,20.0': 8.7e-05, '180.0,130.0': 1.7e-05, '-150.0,120.0': 0.001194, '-120.0,50.0': 0.000242, '-110.0,-40.0': 0.001073, '-80.0,-20.0': 0.007478, '-90.0,100.0': 0.000935, '-70.0,150.0': 0.008863, '80.0,-30.0': 6.9e-05, '-120.0,-150.0': 5.2e-05, '-160.0,40.0': 5.2e-05, '-100.0,30.0': 0.000675, '-60.0,110.0': 8.7e-05, '-30.0,-60.0': 3.5e-05, '-100.0,50.0': 0.000121, '-120.0,-70.0': 3.5e-05, '-80.0,-60.0': 0.00064, '-70.0,0.0': 0.000969, '-120.0,-20.0': 0.001367, '80.0,120.0': 1.7e-05, '-120.0,10.0': 0.002268, '-160.0,70.0': 6.9e-05, '80.0,-70.0': 3.5e-05, '-40.0,-60.0': 0.000208, '-110.0,-30.0': 0.001385, '-110.0,-140.0': 5.2e-05, '40.0,-130.0': 6.9e-05, '-160.0,-160.0': 1.7e-05, '-60.0,150.0': 0.006041, '-150.0,110.0': 0.000502, '-170.0,90.0': 1.7e-05, '-90.0,40.0': 8.7e-05, '-110.0,60.0': 8.7e-05, '-120.0,-60.0': 0.000277, '70.0,-60.0': 0.00019, '-120.0,130.0': 0.008551, '-170.0,80.0': 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'80.0,10.0': 0.000339, '-120.0,70.0': 0.000308, '-120.0,40.0': 0.00037, '-100.0,-130.0': 6.2e-05, '40.0,-120.0': 3.1e-05, '80.0,0.0': 0.000354, '50.0,60.0': 0.001417, '50.0,10.0': 1.5e-05, '-30.0,-50.0': 3.1e-05, '-90.0,120.0': 0.005392, '-70.0,-170.0': 1.5e-05, '-30.0,-80.0': 1.5e-05, '-150.0,160.0': 0.00456, '-60.0,160.0': 0.001756, '-160.0,140.0': 0.002249, '-80.0,20.0': 0.000108, '-130.0,-130.0': 4.6e-05, '-110.0,-10.0': 0.002511, '-110.0,-160.0': 1.5e-05, '-80.0,40.0': 3.1e-05, '-160.0,160.0': 0.003035, '-120.0,-30.0': 0.001248, '-60.0,130.0': 0.009736, '30.0,-120.0': 3.1e-05, '50.0,20.0': 4.6e-05, '-150.0,120.0': 0.001463, '-150.0,-130.0': 1.5e-05, '-120.0,50.0': 0.000169, '-40.0,-20.0': 3.1e-05, '-110.0,-40.0': 0.00151, '-80.0,-20.0': 0.009535, '-90.0,100.0': 0.001202, '-70.0,150.0': 0.008134, '80.0,-30.0': 7.7e-05, '70.0,130.0': 1.5e-05, '70.0,60.0': 1.5e-05, '170.0,170.0': 1.5e-05, '-160.0,40.0': 1.5e-05, '-100.0,30.0': 0.000385, '-60.0,110.0': 0.000108, '-30.0,-60.0': 4.6e-05, '-100.0,50.0': 0.000108, '-120.0,-70.0': 4.6e-05, '-80.0,-90.0': 3.1e-05, '-80.0,-60.0': 0.000447, '-70.0,0.0': 0.000678, '-120.0,-20.0': 0.001602, '80.0,120.0': 1.5e-05, '-120.0,10.0': 0.001787, '-160.0,0.0': 3.1e-05, '-40.0,-60.0': 0.000246, '-50.0,-80.0': 1.5e-05, '-110.0,-30.0': 0.002218, '-110.0,-140.0': 3.1e-05, '-160.0,-160.0': 3.1e-05, '-60.0,150.0': 0.005222, '-150.0,110.0': 0.000416, '-170.0,90.0': 3.1e-05, '-90.0,40.0': 0.000169, '-110.0,60.0': 3.1e-05, '-120.0,-60.0': 0.000293, '70.0,-60.0': 3.1e-05, '-120.0,130.0': 0.008442, '-110.0,-60.0': 0.000262, '-80.0,80.0': 0.000693, '-130.0,10.0': 0.000462, '-80.0,-50.0': 0.002727, '-110.0,-70.0': 0.000108, '-160.0,10.0': 1.5e-05, '-160.0,60.0': 1.5e-05, '-40.0,140.0': 9.2e-05, '-60.0,-30.0': 0.038604, '-160.0,-170.0': 7.7e-05, '10.0,-10.0': 1.5e-05, '-120.0,20.0': 0.001525, '-90.0,60.0': 0.000447, '-90.0,50.0': 0.000293, '-70.0,-70.0': 4.6e-05, '-80.0,0.0': 0.004529, '-20.0,-120.0': 1.5e-05, '-140.0,170.0': 0.00191, '-120.0,-100.0': 3.1e-05, '-70.0,-90.0': 3.1e-05, '-70.0,140.0': 0.010906, '-70.0,170.0': 0.001448, '-160.0,70.0': 4.6e-05, '-140.0,180.0': 0.000339, '-160.0,50.0': 1.5e-05, '80.0,-40.0': 1.5e-05, '-130.0,50.0': 0.000277, '-120.0,-50.0': 0.000385, '-40.0,-30.0': 6.2e-05, '-130.0,30.0': 0.000693, '180.0,160.0': 4.6e-05, '70.0,-140.0': 1.5e-05, '70.0,-170.0': 1.5e-05, '-150.0,100.0': 0.000246, '30.0,110.0': 1.5e-05, '-30.0,-30.0': 1.5e-05, '-130.0,20.0': 0.000678, '-50.0,130.0': 0.005854, '-60.0,30.0': 1.5e-05, '50.0,-130.0': 0.000462, '-40.0,-40.0': 0.000262, '20.0,10.0': 1.5e-05, '-70.0,130.0': 0.009628, '-40.0,180.0': 1.5e-05, '-70.0,160.0': 0.004359, '60.0,80.0': 1.5e-05, '-40.0,-70.0': 4.6e-05, '-130.0,70.0': 0.000863, '-120.0,-90.0': 6.2e-05, '80.0,-60.0': 3.1e-05, '-130.0,0.0': 0.000555, '-80.0,-40.0': 0.007671, '70.0,-20.0': 4.6e-05, '-150.0,140.0': 0.004329, '-40.0,-50.0': 0.000662, '-60.0,-40.0': 0.142553, '-160.0,90.0': 3.1e-05, '70.0,-40.0': 4.6e-05, '-120.0,120.0': 0.005638, '-80.0,120.0': 0.004729, '-140.0,-170.0': 7.7e-05, '-90.0,-160.0': 4.6e-05, '-60.0,170.0': 0.000216, '-160.0,-100.0': 1.5e-05, '50.0,-110.0': 0.000108, '-70.0,120.0': 0.002911, '60.0,40.0': 0.004883, '-50.0,160.0': 3.1e-05, '-120.0,30.0': 0.001001, '50.0,-100.0': 4.6e-05, '-90.0,-140.0': 3.1e-05, '-90.0,70.0': 0.000955, '-70.0,-60.0': 0.000493, '30.0,50.0': 1.5e-05, '-90.0,10.0': 0.003312, '-120.0,-110.0': 4.6e-05, '-140.0,160.0': 0.005207, '70.0,-80.0': 3.1e-05, '70.0,-50.0': 0.000108, '-110.0,-50.0': 0.000508, '50.0,-150.0': 0.000154, '-80.0,130.0': 0.008565, '-80.0,100.0': 0.000878, '-100.0,-10.0': 0.005053, '-120.0,-40.0': 0.000709, '-130.0,180.0': 0.000339, '-60.0,-70.0': 3.1e-05, '-80.0,160.0': 0.004021, '-70.0,-80.0': 1.5e-05, '180.0,140.0': 3.1e-05, '-130.0,40.0': 0.000616, '-90.0,-150.0': 1.5e-05, '-120.0,180.0': 0.000401, '-80.0,-70.0': 7.7e-05, '50.0,80.0': 3.1e-05, '180.0,150.0': 6.2e-05, '-150.0,170.0': 0.00191, '-50.0,120.0': 0.001017, '-110.0,0.0': 0.003127, '-70.0,110.0': 0.000416, '180.0,170.0': 0.000154, '70.0,-10.0': 7.7e-05, '-60.0,-20.0': 0.015697, '90.0,-20.0': 1.5e-05, '-160.0,80.0': 6.2e-05, '50.0,-120.0': 0.000308, '-120.0,80.0': 0.000508, '60.0,20.0': 0.001772, '-80.0,-30.0': 0.008149, '-120.0,-80.0': 4.6e-05, '-140.0,110.0': 0.000878, '-120.0,-160.0': 6.2e-05, '-70.0,80.0': 7.7e-05, '60.0,180.0': 1.5e-05, '-150.0,150.0': 0.004098, '-120.0,90.0': 0.000832, '60.0,60.0': 0.000431, '-60.0,-50.0': 0.060586, '-70.0,10.0': 7.7e-05, '-50.0,60.0': 1.5e-05, '40.0,-140.0': 6.2e-05, '-140.0,150.0': 0.008087, '-120.0,-120.0': 6.2e-05, '60.0,70.0': 0.000123, '-50.0,150.0': 0.000416, '60.0,50.0': 0.002095, '-110.0,160.0': 0.003651, '30.0,70.0': 1.5e-05, '-110.0,-80.0': 1.5e-05, '-100.0,-90.0': 7.7e-05, '-80.0,-10.0': 0.010306, '-110.0,140.0': 0.007949, '100.0,40.0': 1.5e-05, '-170.0,-170.0': 1.5e-05, '-100.0,0.0': 0.007394, '-80.0,110.0': 0.002264, '-140.0,40.0': 0.000108, '-60.0,-10.0': 0.001279, '70.0,70.0': 1.5e-05, '-80.0,170.0': 0.001725, '-50.0,110.0': 6.2e-05}}

Dictionary containing G-Factors for backbone_dihedral values, keys are residue names and values are dictionaries B; dictionary B keys are phi/psi dihedral values rounded to nearest 10 as strings (“60.0,30.0”), values are X, where G-factor = log(X).

schrodinger.protein.analysis_params.sidechain_dihedrals = {' ': {'160.0,60.0': 0.000608, '40.0,-150.0': 0.000104, '40.0,-160.0': 0.000191, '-70.0,100.0': 0.000278, '160.0,-170.0': 0.000799, '180.0,-140.0': 0.000573, '-60.0,80.0': 0.000156, '-40.0,170.0': 0.000434, '-170.0,70.0': 0.003231, '80.0,170.0': 0.001372, '-50.0,100.0': 0.000243, '-50.0,170.0': 0.003648, '160.0,-160.0': 0.00033, '-120.0,-170.0': 0.000104, '-70.0,-50.0': 0.002154, '-170.0,-110.0': 0.000243, '180.0,80.0': 0.002641, '-90.0,-70.0': 0.000295, '-90.0,-170.0': 0.002119, '90.0,-170.0': 0.000313, '-170.0,-100.0': 0.000643, '-170.0,-120.0': 0.000208, '-160.0,-90.0': 0.000139, '-170.0,60.0': 0.003092, '-50.0,140.0': 0.000156, '-110.0,170.0': 0.000174, '-90.0,-60.0': 0.000226, '60.0,-80.0': 0.000122, '-140.0,-130.0': 0.000122, '70.0,80.0': 0.000104, '-170.0,-150.0': 0.001338, '-170.0,140.0': 0.000521, '160.0,130.0': 0.000104, '60.0,150.0': 0.000764, '-90.0,-130.0': 0.000139, '50.0,-140.0': 0.000174, '-170.0,-70.0': 0.000208, '-70.0,180.0': 0.066291, '40.0,-170.0': 0.000313, '-170.0,-140.0': 0.000521, '80.0,140.0': 0.000104, '-80.0,-150.0': 0.001529, '-160.0,-70.0': 0.000208, '-170.0,100.0': 0.000243, '-60.0,-30.0': 0.00033, '-170.0,170.0': 0.020343, '-50.0,160.0': 0.001216, '70.0,-80.0': 0.000139, '-170.0,-80.0': 0.000886, '-80.0,-110.0': 0.000278, '-80.0,-170.0': 0.013098, '-70.0,90.0': 0.000434, '180.0,-160.0': 0.005333, '-70.0,-30.0': 0.000174, '-100.0,60.0': 0.000313, '-80.0,-160.0': 0.004899, '160.0,90.0': 0.000156, '70.0,-90.0': 0.000104, '-160.0,-80.0': 0.000261, '-100.0,80.0': 0.000122, '-150.0,90.0': 0.000156, '170.0,-150.0': 0.000469, '-170.0,-90.0': 0.001147, '-80.0,-130.0': 0.000156, '-170.0,150.0': 0.002171, '170.0,60.0': 0.005924, '-150.0,130.0': 0.000122, '150.0,160.0': 0.000122, '-70.0,60.0': 0.000122, '-150.0,80.0': 0.000208, '40.0,170.0': 0.000226, '-80.0,-140.0': 0.000382, '-60.0,-80.0': 0.007314, '-150.0,-170.0': 0.00073, '70.0,160.0': 0.001459, '-170.0,110.0': 0.000156, '50.0,-90.0': 0.000122, '180.0,-80.0': 0.000452, '70.0,140.0': 0.000226, '-60.0,150.0': 0.001442, '170.0,-120.0': 0.000104, '-70.0,70.0': 0.000347, '-50.0,-70.0': 0.004847, '70.0,170.0': 0.005715, '-100.0,70.0': 0.00033, '-80.0,-100.0': 0.00033, '80.0,160.0': 0.000434, '-70.0,-40.0': 0.000347, '170.0,-160.0': 0.001946, '150.0,180.0': 0.000208, '-150.0,-160.0': 0.00033, '-100.0,130.0': 0.000104, '-100.0,-60.0': 0.000104, '160.0,80.0': 0.000417, '-80.0,70.0': 0.001129, '-110.0,180.0': 0.000208, '-60.0,-170.0': 0.037454, '-160.0,180.0': 0.005959, '-130.0,160.0': 0.000122, '170.0,70.0': 0.003961, '-150.0,-150.0': 0.000104, '-150.0,70.0': 0.00033, '90.0,-60.0': 0.000104, '140.0,180.0': 0.000122, '170.0,-100.0': 0.000174, '170.0,-170.0': 0.00549, '160.0,180.0': 0.001199, '-130.0,170.0': 0.000191, '-60.0,-90.0': 0.002571, '50.0,150.0': 0.000313, '-90.0,130.0': 0.000104, '-100.0,-150.0': 0.000156, '170.0,-90.0': 0.000452, '-50.0,-60.0': 0.005785, '-50.0,-50.0': 0.00304, '70.0,150.0': 0.000539, '-150.0,-60.0': 0.000156, '160.0,160.0': 0.000278, '-90.0,180.0': 0.001598, '-90.0,170.0': 0.001025, '-90.0,-90.0': 0.000191, '-170.0,130.0': 0.000191, '-30.0,180.0': 0.000139, '-50.0,-140.0': 0.000504, '160.0,150.0': 0.000191, '-80.0,50.0': 0.000261, '-80.0,60.0': 0.000816, '-100.0,170.0': 0.0004, '-100.0,100.0': 0.000104, '-60.0,-160.0': 0.014627, '-90.0,80.0': 0.000417, '60.0,-160.0': 0.003266, '-100.0,-160.0': 0.000226, '-50.0,-40.0': 0.000278, '-80.0,-120.0': 0.000174, '-150.0,-70.0': 0.000104, '-90.0,-80.0': 0.000295, '60.0,-140.0': 0.000208, '170.0,-110.0': 0.000174, '-90.0,140.0': 0.000191, '-100.0,140.0': 0.000104, '40.0,160.0': 0.000122, '-100.0,160.0': 0.000104, '-150.0,60.0': 0.000243, '170.0,180.0': 0.01223, '-40.0,-140.0': 0.000156, '170.0,-80.0': 0.000122, '90.0,180.0': 0.000313, '90.0,170.0': 0.000347, '80.0,-160.0': 0.000886, '-160.0,-120.0': 0.000104, '-60.0,-110.0': 0.00066, '-70.0,-100.0': 0.000747, '170.0,150.0': 0.00073, '-80.0,140.0': 0.000382, '-140.0,-60.0': 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0.002959, '170.0,110.0': 0.000141, '60.0,170.0': 0.004353, '-100.0,-170.0': 0.000454, '-90.0,150.0': 0.000391, '-150.0,180.0': 0.000783, '-160.0,150.0': 0.000846, '60.0,-170.0': 0.006232, '-70.0,-160.0': 0.011368, '-90.0,90.0': 0.000172, '60.0,-150.0': 0.00036, '-110.0,-170.0': 0.000204, '-80.0,180.0': 0.01785, '-30.0,-150.0': 0.00011, '40.0,180.0': 0.000266, '-60.0,-130.0': 0.000407, '-60.0,-140.0': 0.001096, '-90.0,110.0': 0.000125, '150.0,180.0': 0.000141, '-60.0,100.0': 0.000266, '170.0,120.0': 0.000141, '70.0,180.0': 0.013122, '-70.0,-110.0': 0.000423, '-60.0,-100.0': 0.001112, '-160.0,130.0': 0.000125, '-80.0,-80.0': 0.001315, '-100.0,40.0': 0.000125, '-80.0,150.0': 0.000939, '80.0,-170.0': 0.001581, '-70.0,-140.0': 0.001002, '-70.0,-130.0': 0.000344, '-90.0,160.0': 0.000611, '180.0,70.0': 0.008659, '-60.0,140.0': 0.000454, '-60.0,120.0': 0.00011, '-170.0,-160.0': 0.002411, '-160.0,-140.0': 0.000204, '50.0,130.0': 0.00011, '60.0,160.0': 0.000626, '-160.0,170.0': 0.005214, '-120.0,70.0': 0.000125, '60.0,140.0': 0.000157, '-90.0,120.0': 0.00011, '-160.0,-80.0': 0.000188, '-70.0,-170.0': 0.045205, '-70.0,-150.0': 0.002474, '180.0,50.0': 0.002004, '-60.0,160.0': 0.005386, '-160.0,140.0': 0.000251, '170.0,130.0': 0.000188, '-110.0,-160.0': 0.00011, '-30.0,-170.0': 0.000204, '-60.0,-120.0': 0.000438, '-160.0,160.0': 0.00191, '180.0,180.0': 0.058891, '70.0,100.0': 0.000157, '180.0,130.0': 0.000313, '50.0,180.0': 0.001722, '90.0,-160.0': 0.000125, '-70.0,150.0': 0.001441, '170.0,170.0': 0.008299, '-60.0,110.0': 0.000204, '-50.0,-90.0': 0.000861, '-100.0,50.0': 0.000235, '-80.0,-90.0': 0.00047, '-80.0,-60.0': 0.00155, '-50.0,180.0': 0.007547, '-40.0,-60.0': 0.001253, '-50.0,-80.0': 0.00213, '-160.0,-150.0': 0.000298, '-160.0,-160.0': 0.000955, '-60.0,150.0': 0.001174, '-170.0,90.0': 0.000673, '-90.0,40.0': 0.000157, '170.0,100.0': 0.000219, '-50.0,-130.0': 0.000266, '-170.0,80.0': 0.002098, '-80.0,80.0': 0.000344, '-140.0,-160.0': 0.000141, '-80.0,-50.0': 0.000423, '70.0,-150.0': 0.000282, '-160.0,60.0': 0.000564, '-50.0,-120.0': 0.000298, '170.0,140.0': 0.000298, '-170.0,160.0': 0.007109, '-160.0,-170.0': 0.001989, '-90.0,60.0': 0.000673, '-90.0,50.0': 0.000329, '-70.0,-70.0': 0.013403, '-30.0,-70.0': 0.000157, '-140.0,170.0': 0.000282, '-70.0,-90.0': 0.00166, '-70.0,140.0': 0.000532, '-70.0,170.0': 0.04793, '-140.0,180.0': 0.000235, '-150.0,160.0': 0.000532, '-160.0,70.0': 0.001112, '-50.0,-100.0': 0.000501, '180.0,160.0': 0.009473, '70.0,-170.0': 0.007281, '170.0,160.0': 0.00191, '-50.0,-160.0': 0.002098, '-40.0,-170.0': 0.000517, '-100.0,90.0': 0.000125, '-70.0,130.0': 0.000204, '-40.0,180.0': 0.000501, '50.0,170.0': 0.000814, '-70.0,160.0': 0.008628, '-40.0,-70.0': 0.000752, '-80.0,-40.0': 0.000141, '180.0,120.0': 0.000188, '-40.0,-50.0': 0.000391, '-170.0,50.0': 0.000893, '-60.0,-40.0': 0.001503, '-160.0,90.0': 0.000282, '-80.0,120.0': 0.000125, '-140.0,-170.0': 0.000219, '50.0,-170.0': 0.001362, '-90.0,-160.0': 0.000705, '-60.0,170.0': 0.026259, '180.0,40.0': 0.000125, '170.0,80.0': 0.001237, '-70.0,120.0': 0.000141, '180.0,-90.0': 0.000908, '170.0,90.0': 0.000564, '-90.0,70.0': 0.000438, '-70.0,-60.0': 0.010115, '180.0,-110.0': 0.000172, '-40.0,-150.0': 0.000298, '-140.0,160.0': 0.000172, '-60.0,-60.0': 0.024834, '50.0,-150.0': 0.000235, '-80.0,130.0': 0.000282, '-130.0,180.0': 0.00011, '-60.0,-70.0': 0.020732, '-50.0,-110.0': 0.000282, '70.0,-160.0': 0.001613, '-80.0,160.0': 0.003006, '-70.0,-80.0': 0.006295, '180.0,140.0': 0.000783, '170.0,50.0': 0.000376, '-90.0,-150.0': 0.000313, '-60.0,180.0': 0.061975, '-50.0,-170.0': 0.005136, '-80.0,-70.0': 0.002349, '180.0,-150.0': 0.000908, '180.0,150.0': 0.001989, '-150.0,170.0': 0.001112, '-40.0,-160.0': 0.000391, '180.0,-130.0': 0.000266, '180.0,170.0': 0.040038, '-60.0,90.0': 0.000344, '-160.0,80.0': 0.000799, '-40.0,160.0': 0.000125, '180.0,100.0': 0.000517, '-170.0,40.0': 0.000266, '-70.0,80.0': 0.000329, '180.0,-170.0': 0.017663, '180.0,90.0': 0.00083, '-170.0,-130.0': 0.00011, '-90.0,100.0': 0.000125, '60.0,180.0': 0.010616, '-150.0,150.0': 0.000266, '-40.0,-80.0': 0.000329, '180.0,110.0': 0.000329, '-60.0,-50.0': 0.008252, '50.0,-160.0': 0.000454, '160.0,70.0': 0.000485, '-50.0,150.0': 0.000235, '160.0,170.0': 0.000767, '-90.0,-140.0': 0.00011, '70.0,90.0': 0.000188, '-170.0,-170.0': 0.009614, '180.0,-100.0': 0.000313, '-80.0,110.0': 0.000157, '80.0,150.0': 0.000172, '-80.0,170.0': 0.011008, '140.0,-170.0': 0.00011}}

Dictionary containing G-factors for sidechain dihedral values, keys are residue names and values are dictionaries B; dictionary B keys are chi1/chi2 dihedral values rounded to nearest 10 as strings (“60.0,30.0”), values are X, where G-factor = log(X).