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-17_1.PDB -0.75000 -42.31000 -15.29000 -71.03000 -4.36000 87.54000 -91.90000 10.64000 37.30000 89.37000 0.00000 0.00000 0.00000 2.71000 16.96000 0.00000 -2.71000 0.00000 -0.69000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_2.PDB 0.32000 -42.04000 -12.12000 -69.57000 -4.06000 85.89000 -90.28000 9.60000 35.12000 88.38000 0.00000 0.00000 0.00000 2.59000 16.79000 0.00000 -2.52000 0.00000 -0.69000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_3.PDB -0.55000 -42.03000 -13.83000 -70.56000 -4.35000 86.57000 -91.34000 10.25000 36.49000 88.98000 0.00000 0.00000 0.00000 2.48000 16.83000 0.00000 -2.45000 0.00000 -0.75000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_4.PDB 1.12000 -42.03000 -13.21000 -70.86000 -4.25000 86.76000 -91.85000 10.91000 36.51000 90.08000 0.00000 0.00000 0.00000 2.38000 16.92000 0.00000 -2.60000 0.00000 -0.72000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_5.PDB 0.61000 -41.52000 -13.86000 -71.38000 -4.94000 88.35000 -92.07000 9.92000 37.20000 89.41000 0.00000 0.00000 0.00000 3.00000 17.19000 0.00000 -2.74000 0.00000 -0.76000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_6.PDB -0.32000 -41.69000 -11.86000 -70.70000 -4.15000 86.11000 -91.69000 10.28000 35.94000 88.46000 0.00000 0.00000 0.00000 2.26000 16.93000 0.00000 -2.60000 0.00000 -0.66000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_7.PDB -0.45000 -42.06000 -12.14000 -70.21000 -4.24000 85.42000 -91.20000 10.53000 35.53000 88.89000 0.00000 0.00000 0.00000 2.35000 16.82000 0.00000 -2.62000 0.00000 -0.70000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_8.PDB 1.34000 -41.22000 -13.04000 -71.52000 -4.33000 88.30000 -92.53000 10.20000 36.81000 89.54000 0.00000 0.00000 0.00000 2.35000 17.16000 0.00000 -2.51000 0.00000 -0.72000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_9.PDB 1.42000 -41.40000 -11.56000 -71.15000 -4.80000 87.59000 -91.94000 9.84000 36.11000 88.99000 0.00000 0.00000 0.00000 3.05000 17.15000 0.00000 -2.53000 0.00000 -0.77000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_10.PDB 1.44000 -41.43000 -11.55000 -70.18000 -4.51000 86.35000 -90.90000 9.91000 35.03000 89.05000 0.00000 0.00000 0.00000 2.93000 16.98000 0.00000 -2.48000 0.00000 -0.77000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_11.PDB 1.15000 -41.44000 -11.46000 -70.57000 -4.40000 86.21000 -91.62000 10.22000 35.60000 89.79000 0.00000 0.00000 0.00000 2.28000 16.87000 0.00000 -2.63000 0.00000 -0.83000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_12.PDB 1.61000 -41.54000 -11.69000 -70.82000 -4.37000 87.15000 -91.78000 10.00000 35.63000 89.91000 0.00000 0.00000 0.00000 2.40000 17.06000 0.00000 -2.49000 0.00000 -0.78000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_13.PDB -1.21000 -42.15000 -13.87000 -70.88000 -4.29000 86.80000 -91.80000 10.14000 37.15000 88.78000 0.00000 0.00000 0.00000 2.32000 16.90000 0.00000 -2.74000 0.00000 -0.66000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_14.PDB -0.23000 -42.31000 -12.32000 -70.55000 -4.03000 85.75000 -91.59000 10.72000 36.08000 89.15000 0.00000 0.00000 0.00000 2.29000 16.90000 0.00000 -2.83000 0.00000 -0.58000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_15.PDB 1.64000 -41.41000 -13.40000 -71.41000 -4.72000 88.58000 -92.21000 9.90000 36.78000 89.55000 0.00000 0.00000 0.00000 3.15000 17.24000 0.00000 -2.41000 0.00000 -0.76000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_16.PDB -0.34000 -42.31000 -12.42000 -70.66000 -4.22000 85.91000 -91.72000 10.23000 36.24000 89.31000 0.00000 0.00000 0.00000 2.48000 16.88000 0.00000 -2.55000 0.00000 -0.63000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_17.PDB 1.27000 -41.38000 -11.43000 -71.23000 -4.86000 87.42000 -92.22000 10.06000 36.17000 89.04000 0.00000 0.00000 0.00000 2.92000 17.09000 0.00000 -2.44000 0.00000 -0.78000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_18.PDB 0.79000 -41.48000 -13.27000 -70.12000 -4.33000 86.81000 -90.86000 9.62000 35.98000 89.40000 0.00000 0.00000 0.00000 2.72000 16.96000 0.00000 -2.60000 0.00000 -1.09000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_19.PDB 1.38000 -41.48000 -11.60000 -70.83000 -4.92000 87.06000 -91.67000 9.91000 35.68000 89.53000 0.00000 0.00000 0.00000 2.97000 17.10000 0.00000 -2.45000 0.00000 -0.83000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_20.PDB 2.35000 -40.62000 -13.51000 -68.74000 -2.11000 83.57000 -89.35000 10.13000 34.45000 88.62000 0.00000 0.00000 0.00000 2.26000 16.72000 0.00000 -2.64000 0.00000 0.29000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_21.PDB 0.13000 -43.07000 -16.19000 -71.72000 -4.74000 89.31000 -91.87000 11.40000 38.43000 89.48000 0.00000 0.00000 0.00000 2.84000 17.02000 0.00000 -2.64000 0.00000 -1.11000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_22.PDB -0.59000 -42.09000 -14.84000 -71.10000 -4.45000 87.68000 -92.10000 9.75000 37.30000 90.14000 0.00000 0.00000 0.00000 2.47000 17.16000 0.00000 -2.62000 0.00000 -0.73000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_23.PDB 1.04000 -41.77000 -11.79000 -70.37000 -4.38000 86.62000 -91.33000 9.71000 35.66000 89.49000 0.00000 0.00000 0.00000 2.57000 17.05000 0.00000 -2.34000 0.00000 -1.03000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_24.PDB -0.77000 -41.92000 -13.57000 -69.78000 -3.95000 85.64000 -90.47000 10.48000 35.95000 88.50000 0.00000 0.00000 0.00000 2.16000 16.70000 0.00000 -2.88000 0.00000 -0.93000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_25.PDB 1.39000 -41.42000 -11.57000 -69.44000 -3.73000 84.62000 -90.35000 10.33000 34.78000 89.43000 0.00000 0.00000 0.00000 2.27000 16.70000 0.00000 -2.51000 0.00000 -1.02000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_26.PDB 2.78000 -40.28000 -11.72000 -69.30000 -2.27000 84.23000 -90.06000 9.62000 34.02000 88.46000 0.00000 0.00000 0.00000 2.42000 17.09000 0.00000 -2.61000 0.00000 0.27000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_27.PDB 0.79000 -41.44000 -14.77000 -71.00000 -4.94000 88.40000 -91.24000 10.41000 37.18000 89.34000 0.00000 0.00000 0.00000 2.44000 16.97000 0.00000 -2.35000 0.00000 -1.25000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_28.PDB 2.26000 -40.92000 -13.32000 -69.09000 -2.28000 83.72000 -89.80000 10.53000 34.68000 88.84000 0.00000 0.00000 0.00000 2.35000 16.89000 0.00000 -2.73000 0.00000 0.27000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_29.PDB 0.69000 -40.70000 -14.90000 -69.52000 -2.34000 84.43000 -90.09000 9.32000 35.56000 89.04000 0.00000 0.00000 0.00000 2.30000 16.92000 0.00000 -2.69000 0.00000 0.28000 0.00000 0.00000 64.00000 HSE1_1GCQ-17_30.PDB -1.51000 -42.45000 -15.93000 -70.99000 -5.14000 88.77000 -91.14000 11.40000 36.96000 88.64000 0.00000 0.00000 0.00000 2.36000 16.96000 0.00000 -2.77000 0.00000 -1.21000 0.00000 0.00000 64.00000