name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds HSE1_1GCQ-17_1.PDB 4.75099 -15.29000 -1.61000 -4.42000 -11.92000 -1.80000 11.48000 -16.05000 1.82000 5.66000 2.70000 0.00000 0.00000 0.00000 0.20000 0.70000 0.00000 -0.66000 0.00000 -0.69000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_2.PDB 3.90150 -13.10000 -1.46000 -3.08000 -11.03000 -1.54000 10.35000 -14.80000 1.55000 5.40000 2.63000 0.00000 0.00000 0.00000 0.19000 0.55000 0.00000 -0.62000 0.00000 -0.69000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_3.PDB 4.41314 -13.92000 -1.63000 -3.14000 -11.64000 -1.80000 11.21000 -15.49000 1.54000 5.15000 3.05000 0.00000 0.00000 0.00000 0.11000 0.56000 0.00000 -0.53000 0.00000 -0.75000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_4.PDB 4.08042 -12.89000 -1.56000 -4.23000 -12.03000 -1.84000 11.13000 -16.02000 2.53000 6.69000 3.74000 0.00000 0.00000 0.00000 0.13000 0.71000 0.00000 -0.69000 0.00000 -0.72000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_5.PDB 4.45693 -13.37000 -1.51000 -3.52000 -11.76000 -1.94000 11.76000 -15.38000 1.75000 5.36000 3.35000 0.00000 0.00000 0.00000 0.11000 0.71000 0.00000 -0.84000 0.00000 -0.76000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_6.PDB 4.27653 -13.63000 -1.61000 -3.19000 -12.06000 -1.68000 11.51000 -16.09000 1.59000 6.61000 2.71000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -0.87000 0.00000 -0.66000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_7.PDB 4.42405 -13.50000 -1.65000 -3.14000 -11.70000 -1.66000 10.95000 -15.71000 1.80000 5.89000 3.09000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -0.79000 0.00000 -0.70000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_8.PDB 3.56741 -12.61000 -1.57000 -3.08000 -12.11000 -1.86000 11.51000 -16.03000 2.28000 5.76000 3.64000 0.00000 0.00000 0.00000 0.14000 0.74000 0.00000 -0.57000 0.00000 -0.72000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_9.PDB 4.43633 -12.31000 -1.52000 -3.09000 -12.04000 -1.96000 11.69000 -15.60000 1.75000 6.29000 3.38000 0.00000 0.00000 0.00000 0.12000 0.66000 0.00000 -0.57000 0.00000 -0.77000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_10.PDB 4.37919 -12.13000 -1.47000 -3.02000 -11.11000 -1.64000 10.53000 -14.56000 1.77000 5.22000 3.34000 0.00000 0.00000 0.00000 0.11000 0.48000 0.00000 -0.53000 0.00000 -0.77000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_11.PDB 4.07046 -12.30000 -1.46000 -2.95000 -11.59000 -1.89000 10.49000 -15.49000 1.73000 6.20000 4.13000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -0.78000 0.00000 -0.83000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_12.PDB 3.88429 -11.98000 -1.51000 -3.07000 -11.75000 -1.88000 11.27000 -15.56000 1.79000 6.04000 4.08000 0.00000 0.00000 0.00000 0.17000 0.64000 0.00000 -0.76000 0.00000 -0.78000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_13.PDB 4.40206 -14.39000 -1.55000 -3.00000 -11.80000 -1.74000 11.26000 -15.78000 1.37000 5.57000 2.75000 0.00000 0.00000 0.00000 0.10000 0.64000 0.00000 -0.93000 0.00000 -0.66000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_14.PDB 4.46357 -13.58000 -1.64000 -3.07000 -11.76000 -1.40000 10.96000 -15.81000 1.89000 5.95000 2.70000 0.00000 0.00000 0.00000 0.10000 0.68000 0.00000 -0.92000 0.00000 -0.58000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_15.PDB 4.53195 -12.76000 -1.46000 -3.12000 -11.54000 -1.92000 11.28000 -15.07000 1.74000 5.15000 3.46000 0.00000 0.00000 0.00000 0.15000 0.75000 0.00000 -0.66000 0.00000 -0.76000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_16.PDB 4.52220 -13.78000 -1.55000 -3.09000 -11.80000 -1.65000 11.05000 -15.88000 1.43000 6.15000 2.73000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -0.66000 0.00000 -0.63000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_17.PDB 4.47493 -12.54000 -1.49000 -2.97000 -12.05000 -2.01000 11.43000 -15.79000 1.84000 6.31000 3.36000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -0.50000 0.00000 -0.78000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_18.PDB 4.16635 -12.42000 -1.49000 -2.98000 -10.76000 -1.96000 10.93000 -14.39000 1.41000 4.91000 3.54000 0.00000 0.00000 0.00000 0.19000 0.46000 0.00000 -0.75000 0.00000 -1.09000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_19.PDB 4.44151 -12.71000 -1.55000 -3.09000 -11.79000 -1.97000 11.13000 -15.43000 1.76000 5.85000 3.83000 0.00000 0.00000 0.00000 0.13000 0.65000 0.00000 -0.74000 0.00000 -0.83000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_20.PDB 2.73353 -9.69000 -0.63000 -3.38000 -9.89000 0.02000 8.86000 -13.56000 1.54000 4.13000 3.46000 0.00000 0.00000 0.00000 0.10000 0.51000 0.00000 -0.64000 0.00000 0.29000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_21.PDB 5.14225 -14.46000 -1.59000 -4.41000 -11.89000 -2.35000 12.36000 -15.28000 2.27000 5.51000 2.63000 0.00000 0.00000 0.00000 0.26000 0.77000 0.00000 -0.85000 0.00000 -1.11000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_22.PDB 3.74201 -13.99000 -1.58000 -4.10000 -11.77000 -1.74000 11.22000 -15.71000 1.65000 5.83000 3.66000 0.00000 0.00000 0.00000 0.17000 0.74000 0.00000 -0.89000 0.00000 -0.73000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_23.PDB 3.99452 -11.90000 -1.55000 -2.98000 -11.41000 -1.93000 10.93000 -15.16000 1.53000 6.00000 3.94000 0.00000 0.00000 0.00000 0.20000 0.58000 0.00000 -0.46000 0.00000 -1.03000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_24.PDB 4.29475 -14.06000 -1.64000 -3.15000 -11.02000 -1.49000 10.50000 -14.83000 1.69000 5.07000 2.73000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -1.09000 0.00000 -0.93000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_25.PDB 3.99610 -11.74000 -1.44000 -3.07000 -10.65000 -1.61000 9.47000 -14.40000 1.78000 6.00000 3.81000 0.00000 0.00000 0.00000 0.11000 0.46000 0.00000 -0.73000 0.00000 -1.02000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_26.PDB 2.33847 -8.82000 -0.72000 -3.60000 -10.50000 -0.21000 10.18000 -14.13000 1.55000 5.43000 3.43000 0.00000 0.00000 0.00000 0.14000 0.59000 0.00000 -0.65000 0.00000 0.27000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_27.PDB 4.38596 -12.87000 -1.45000 -6.24000 -11.91000 -2.59000 12.70000 -14.96000 1.75000 7.88000 3.71000 0.00000 0.00000 0.00000 0.13000 0.68000 0.00000 -0.64000 0.00000 -1.25000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_28.PDB 2.83992 -9.72000 -0.61000 -4.53000 -10.24000 -0.23000 9.54000 -13.93000 1.91000 5.54000 3.13000 0.00000 0.00000 0.00000 0.12000 0.55000 0.00000 -0.68000 0.00000 0.27000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_29.PDB 2.08502 -11.62000 -0.75000 -4.68000 -10.70000 -0.22000 10.01000 -14.33000 1.31000 5.09000 3.19000 0.00000 0.00000 0.00000 0.09000 0.66000 0.00000 -0.91000 0.00000 0.28000 0.00000 2.38000 64.00000 HSE1_1GCQ-17_30.PDB 4.89544 -14.77000 -1.48000 -6.41000 -11.68000 -2.67000 13.15000 -14.82000 2.17000 6.35000 2.65000 0.00000 0.00000 0.00000 0.10000 0.67000 0.00000 -0.93000 0.00000 -1.21000 0.00000 2.38000 64.00000