name total energy Backbone Hbon 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 9.63000 -40.54000 -13.19000 -68.33000 -3.60000 83.82000 -88.42000 15.83000 36.22000 89.57000 0.00000 0.00000 0.00000 2.54000 17.33000 0.00000 -2.62000 0.00000 -1.66000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_2.PDB 7.26000 -40.92000 -13.56000 -69.29000 -4.59000 84.95000 -89.12000 16.13000 36.41000 89.16000 0.00000 0.00000 0.00000 2.57000 17.61000 0.00000 -2.25000 0.00000 -2.22000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_3.PDB 9.47000 -40.84000 -13.33000 -68.69000 -4.69000 85.49000 -88.63000 16.23000 36.75000 89.92000 0.00000 0.00000 0.00000 2.42000 17.35000 0.00000 -2.74000 0.00000 -2.40000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_4.PDB 8.91000 -40.97000 -13.64000 -69.91000 -4.19000 85.21000 -90.09000 16.43000 37.89000 90.41000 0.00000 0.00000 0.00000 2.58000 17.59000 0.00000 -2.60000 0.00000 -2.20000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_5.PDB 8.78000 -40.98000 -11.93000 -68.79000 -4.19000 84.26000 -88.71000 15.21000 36.75000 89.13000 0.00000 0.00000 0.00000 2.62000 17.55000 0.00000 -2.54000 0.00000 -2.05000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_6.PDB 11.40000 -40.01000 -11.09000 -68.78000 -4.39000 84.24000 -88.85000 16.03000 36.68000 89.95000 0.00000 0.00000 0.00000 2.46000 17.45000 0.00000 -2.60000 0.00000 -2.24000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_7.PDB 9.48000 -40.13000 -13.15000 -69.07000 -3.80000 83.87000 -89.65000 15.82000 37.05000 89.62000 0.00000 0.00000 0.00000 2.91000 17.55000 0.00000 -2.49000 0.00000 -1.50000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_8.PDB 9.01000 -39.96000 -13.33000 -69.80000 -4.43000 85.19000 -90.21000 15.53000 37.52000 90.26000 0.00000 0.00000 0.00000 2.75000 17.50000 0.00000 -2.36000 0.00000 -2.16000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_9.PDB 7.94000 -40.88000 -14.84000 -69.97000 -4.15000 85.98000 -89.68000 15.82000 37.88000 89.89000 0.00000 0.00000 0.00000 2.71000 17.64000 0.00000 -2.87000 0.00000 -1.96000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_10.PDB 10.12000 -40.11000 -11.95000 -68.83000 -3.36000 83.07000 -89.23000 15.91000 35.92000 89.79000 0.00000 0.00000 0.00000 2.57000 17.42000 0.00000 -2.30000 0.00000 -1.37000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_11.PDB 8.74000 -40.70000 -13.18000 -68.94000 -3.38000 84.15000 -89.33000 15.73000 36.25000 89.46000 0.00000 0.00000 0.00000 2.70000 17.57000 0.00000 -2.71000 0.00000 -1.31000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_12.PDB 10.49000 -40.18000 -11.56000 -68.97000 -4.09000 83.31000 -89.53000 16.17000 36.41000 90.59000 0.00000 0.00000 0.00000 2.67000 17.26000 0.00000 -2.41000 0.00000 -1.92000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_13.PDB 9.25000 -41.58000 -15.71000 -69.67000 -4.32000 86.42000 -89.51000 16.78000 38.61000 90.46000 0.00000 0.00000 0.00000 2.54000 17.42000 0.00000 -2.96000 0.00000 -1.81000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_14.PDB 10.24000 -39.98000 -11.71000 -68.89000 -5.58000 84.87000 -88.49000 15.68000 37.78000 89.35000 0.00000 0.00000 0.00000 2.66000 17.48000 0.00000 -2.70000 0.00000 -2.75000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_15.PDB 9.41000 -40.30000 -11.95000 -69.12000 -4.51000 84.53000 -89.16000 16.34000 36.64000 89.38000 0.00000 0.00000 0.00000 2.54000 17.53000 0.00000 -2.77000 0.00000 -2.21000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_16.PDB 9.74000 -40.65000 -12.85000 -68.95000 -3.42000 83.84000 -89.44000 15.15000 36.40000 90.40000 0.00000 0.00000 0.00000 3.02000 17.51000 0.00000 -2.41000 0.00000 -1.35000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_17.PDB 8.45000 -41.82000 -13.78000 -69.35000 -4.94000 85.59000 -89.13000 16.25000 36.79000 90.24000 0.00000 0.00000 0.00000 3.22000 17.52000 0.00000 -2.28000 0.00000 -2.34000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_18.PDB 8.77000 -40.81000 -10.78000 -70.00000 -4.45000 84.93000 -90.26000 15.63000 35.90000 90.25000 0.00000 0.00000 0.00000 2.47000 17.44000 0.00000 -2.11000 0.00000 -1.99000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_19.PDB 9.54000 -40.21000 -11.56000 -68.40000 -4.33000 84.03000 -88.21000 16.09000 36.00000 89.00000 0.00000 0.00000 0.00000 2.54000 17.41000 0.00000 -2.63000 0.00000 -2.78000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_20.PDB 9.42000 -40.02000 -12.74000 -68.91000 -5.17000 84.59000 -88.87000 15.81000 37.58000 89.44000 0.00000 0.00000 0.00000 2.61000 17.38000 0.00000 -2.52000 0.00000 -2.39000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_21.PDB 11.53000 -40.22000 -10.41000 -69.21000 -3.13000 83.04000 -90.23000 16.51000 35.12000 90.44000 0.00000 0.00000 0.00000 2.69000 17.43000 0.00000 -2.05000 0.00000 -1.02000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_22.PDB 10.39000 -40.88000 -11.07000 -68.13000 -3.46000 82.76000 -88.40000 15.70000 35.21000 89.59000 0.00000 0.00000 0.00000 2.59000 17.39000 0.00000 -2.20000 0.00000 -1.32000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_23.PDB 10.98000 -39.96000 -9.40000 -69.08000 -4.10000 83.92000 -89.45000 15.16000 35.74000 89.90000 0.00000 0.00000 0.00000 2.51000 17.34000 0.00000 -2.43000 0.00000 -1.83000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_24.PDB 8.40000 -40.78000 -13.54000 -68.56000 -3.48000 83.61000 -88.96000 15.27000 36.21000 89.53000 0.00000 0.00000 0.00000 2.81000 17.52000 0.00000 -2.43000 0.00000 -1.30000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_25.PDB 9.55000 -40.52000 -14.75000 -69.11000 -3.69000 83.84000 -89.33000 15.89000 37.71000 90.76000 0.00000 0.00000 0.00000 2.82000 17.21000 0.00000 -2.37000 0.00000 -1.71000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_26.PDB 10.38000 -40.69000 -11.73000 -68.75000 -3.55000 83.92000 -89.14000 15.43000 35.70000 90.24000 0.00000 0.00000 0.00000 2.79000 17.58000 0.00000 -2.43000 0.00000 -1.41000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_27.PDB 9.28000 -39.19000 -13.43000 -68.01000 -4.40000 82.88000 -88.23000 15.86000 36.65000 89.02000 0.00000 0.00000 0.00000 2.60000 17.35000 0.00000 -2.48000 0.00000 -1.98000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_28.PDB 9.21000 -40.07000 -12.76000 -70.21000 -3.62000 85.18000 -91.01000 16.04000 36.62000 90.50000 0.00000 0.00000 0.00000 2.75000 17.59000 0.00000 -2.69000 0.00000 -1.51000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_29.PDB 9.95000 -39.94000 -11.72000 -68.47000 -3.89000 83.29000 -88.79000 15.15000 36.20000 89.86000 0.00000 0.00000 0.00000 2.44000 17.30000 0.00000 -2.42000 0.00000 -1.77000 0.00000 0.00000 65.00000 HSE1_1GCQ-18_30.PDB 6.66000 -42.43000 -14.99000 -69.55000 -4.63000 86.81000 -88.91000 16.20000 37.85000 89.53000 0.00000 0.00000 0.00000 2.69000 17.70000 0.00000 -2.93000 0.00000 -2.98000 0.00000 0.00000 65.00000