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-18_1.PDB 10.98646 -7.49000 -0.96000 -3.43000 -8.15000 -1.81000 9.25000 -10.28000 0.64000 6.52000 3.03000 0.00000 0.00000 0.00000 0.09000 0.60000 0.00000 -0.73000 0.00000 -1.66000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_2.PDB 11.07165 -9.71000 -1.73000 -4.21000 -9.06000 -2.80000 10.48000 -11.04000 0.91000 7.19000 2.79000 0.00000 0.00000 0.00000 0.15000 0.89000 0.00000 -0.17000 0.00000 -2.22000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_3.PDB 10.61073 -7.38000 -0.93000 -3.23000 -8.50000 -2.96000 10.80000 -10.68000 1.43000 6.65000 3.19000 0.00000 0.00000 0.00000 0.09000 0.63000 0.00000 -0.84000 0.00000 -2.40000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_4.PDB 11.49958 -8.68000 -1.70000 -4.16000 -8.96000 -2.49000 10.28000 -10.95000 0.84000 8.28000 2.96000 0.00000 0.00000 0.00000 0.07000 0.85000 0.00000 -0.65000 0.00000 -2.20000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_5.PDB 10.51057 -8.28000 -1.73000 -2.60000 -9.07000 -2.31000 10.12000 -11.34000 0.65000 7.69000 2.88000 0.00000 0.00000 0.00000 0.11000 0.76000 0.00000 -0.61000 0.00000 -2.05000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_6.PDB 11.20703 -7.23000 -0.92000 -3.50000 -8.66000 -2.57000 9.94000 -10.76000 0.75000 8.40000 2.91000 0.00000 0.00000 0.00000 0.07000 0.78000 0.00000 -0.63000 0.00000 -2.24000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_7.PDB 11.39907 -8.55000 -0.96000 -5.49000 -8.74000 -1.84000 9.38000 -11.27000 0.68000 8.62000 2.97000 0.00000 0.00000 0.00000 0.17000 0.85000 0.00000 -0.58000 0.00000 -1.50000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_8.PDB 10.70932 -8.65000 -0.96000 -4.16000 -8.68000 -2.65000 9.82000 -10.89000 0.79000 7.78000 2.90000 0.00000 0.00000 0.00000 0.17000 0.77000 0.00000 -0.59000 0.00000 -2.16000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_9.PDB 11.16379 -8.72000 -1.70000 -4.14000 -9.43000 -2.33000 11.02000 -11.29000 0.77000 7.89000 3.18000 0.00000 0.00000 0.00000 0.12000 0.86000 0.00000 -0.85000 0.00000 -1.96000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_10.PDB 8.21247 -7.81000 -0.96000 -4.30000 -8.16000 -1.50000 8.51000 -10.37000 0.78000 7.32000 2.69000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.55000 0.00000 -1.37000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_11.PDB 10.82439 -9.00000 -1.68000 -4.27000 -8.73000 -1.58000 9.53000 -11.27000 0.87000 7.04000 2.99000 0.00000 0.00000 0.00000 0.16000 0.85000 0.00000 -0.76000 0.00000 -1.31000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_12.PDB 8.71727 -8.00000 -0.99000 -3.87000 -8.14000 -2.32000 8.77000 -10.46000 0.63000 7.66000 3.16000 0.00000 0.00000 0.00000 0.09000 0.55000 0.00000 -0.62000 0.00000 -1.92000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_13.PDB 11.38647 -8.20000 -0.94000 -4.97000 -9.02000 -2.63000 10.73000 -11.13000 1.32000 7.72000 3.17000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -0.73000 0.00000 -1.81000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_14.PDB 11.05585 -8.45000 -0.95000 -4.22000 -8.53000 -2.86000 10.15000 -10.34000 0.69000 8.36000 2.71000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.80000 0.00000 -2.75000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_15.PDB 11.30210 -8.80000 -0.99000 -3.02000 -9.37000 -2.72000 10.33000 -11.67000 0.92000 7.67000 2.95000 0.00000 0.00000 0.00000 0.10000 0.82000 0.00000 -0.80000 0.00000 -2.21000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_16.PDB 10.84253 -8.83000 -0.96000 -3.60000 -9.12000 -1.53000 9.54000 -11.96000 0.70000 6.68000 3.07000 0.00000 0.00000 0.00000 0.18000 0.80000 0.00000 -0.48000 0.00000 -1.35000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_17.PDB 11.87938 -11.42000 -2.62000 -6.09000 -9.34000 -3.14000 11.32000 -11.32000 0.87000 8.62000 3.05000 0.00000 0.00000 0.00000 0.21000 0.86000 0.00000 -0.65000 0.00000 -2.34000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_18.PDB 7.44475 -8.97000 -1.75000 -3.23000 -9.31000 -2.77000 10.38000 -11.50000 1.05000 7.37000 2.91000 0.00000 0.00000 0.00000 0.14000 0.80000 0.00000 -0.26000 0.00000 -1.99000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_19.PDB 11.28195 -8.19000 -0.92000 -2.24000 -8.45000 -2.92000 9.74000 -10.39000 0.70000 7.05000 2.72000 0.00000 0.00000 0.00000 0.09000 0.70000 0.00000 -0.80000 0.00000 -2.78000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_20.PDB 11.08008 -8.26000 -1.02000 -5.31000 -8.62000 -3.03000 10.37000 -10.50000 0.63000 9.25000 2.89000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -0.64000 0.00000 -2.39000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_21.PDB 11.50306 -7.12000 -0.97000 -2.70000 -8.36000 -1.20000 8.40000 -11.04000 0.97000 6.30000 2.79000 0.00000 0.00000 0.00000 0.15000 0.82000 0.00000 -0.42000 0.00000 -1.02000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_22.PDB 7.94515 -7.57000 -1.69000 -3.40000 -8.22000 -1.50000 8.84000 -10.54000 0.83000 6.97000 2.98000 0.00000 0.00000 0.00000 0.11000 0.71000 0.00000 -0.64000 0.00000 -1.32000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_23.PDB 7.61828 -7.16000 -0.92000 -1.89000 -8.70000 -2.29000 9.43000 -11.11000 0.53000 7.27000 2.83000 0.00000 0.00000 0.00000 0.09000 0.66000 0.00000 -0.56000 0.00000 -1.83000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_24.PDB 10.73091 -9.35000 -1.61000 -4.23000 -8.79000 -1.57000 9.30000 -11.55000 0.65000 7.13000 3.16000 0.00000 0.00000 0.00000 0.17000 0.81000 0.00000 -0.70000 0.00000 -1.30000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_25.PDB 10.88285 -8.14000 -0.88000 -5.09000 -8.55000 -1.90000 9.12000 -10.70000 1.30000 7.58000 3.17000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.58000 0.00000 -1.71000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_26.PDB 10.92102 -7.64000 -1.69000 -2.58000 -8.47000 -1.64000 9.37000 -10.88000 0.62000 6.34000 3.07000 0.00000 0.00000 0.00000 0.17000 0.86000 0.00000 -0.55000 0.00000 -1.41000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_27.PDB 11.11651 -8.48000 -0.09000 -5.84000 -8.13000 -2.26000 8.95000 -10.47000 0.56000 8.60000 2.78000 0.00000 0.00000 0.00000 0.13000 0.68000 0.00000 -0.74000 0.00000 -1.98000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_28.PDB 11.19664 -8.33000 -0.96000 -3.45000 -8.85000 -1.88000 9.65000 -11.36000 0.85000 6.80000 3.04000 0.00000 0.00000 0.00000 0.15000 0.86000 0.00000 -0.79000 0.00000 -1.51000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_29.PDB 10.38026 -8.57000 -0.98000 -4.23000 -9.07000 -2.03000 9.56000 -11.75000 0.64000 8.24000 3.26000 0.00000 0.00000 0.00000 0.10000 0.69000 0.00000 -0.54000 0.00000 -1.77000 0.00000 2.38000 65.00000 HSE1_1GCQ-18_30.PDB 10.40447 -10.41000 -2.50000 -4.93000 -9.37000 -3.30000 11.83000 -11.11000 1.80000 7.90000 2.74000 0.00000 0.00000 0.00000 0.12000 0.95000 0.00000 -0.60000 0.00000 -2.98000 0.00000 2.38000 65.00000