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_1SEM-19_1.PDB 11.07000 -38.50000 -17.74000 -68.88000 -3.64000 86.45000 -88.95000 10.52000 38.24000 92.84000 0.00000 0.00000 0.00000 5.27000 16.12000 0.00000 -2.71000 0.00000 -1.84000 0.00000 0.00000 64.00000 HSE1_1SEM-19_2.PDB 9.52000 -39.18000 -20.11000 -70.20000 -5.04000 89.36000 -89.68000 12.51000 39.78000 93.73000 0.00000 0.00000 0.00000 3.64000 16.23000 0.00000 -2.67000 0.00000 -2.62000 0.00000 0.00000 64.00000 HSE1_1SEM-19_3.PDB 12.83000 -38.33000 -14.53000 -68.18000 -4.27000 84.89000 -88.26000 10.63000 37.30000 92.89000 0.00000 0.00000 0.00000 5.31000 15.97000 0.00000 -2.65000 0.00000 -1.97000 0.00000 0.00000 64.00000 HSE1_1SEM-19_4.PDB 13.09000 -39.32000 -11.94000 -67.91000 -3.28000 84.28000 -88.28000 10.37000 34.67000 92.89000 0.00000 0.00000 0.00000 5.60000 15.94000 0.00000 -2.58000 0.00000 -1.41000 0.00000 0.00000 64.00000 HSE1_1SEM-19_5.PDB 7.78000 -39.84000 -17.96000 -69.55000 -5.88000 88.56000 -88.90000 10.69000 39.67000 93.44000 0.00000 0.00000 0.00000 3.14000 16.18000 0.00000 -2.53000 0.00000 -3.07000 0.00000 0.00000 64.00000 HSE1_1SEM-19_6.PDB 9.55000 -38.36000 -17.35000 -68.81000 -4.75000 87.70000 -88.21000 10.27000 37.88000 92.80000 0.00000 0.00000 0.00000 3.81000 16.13000 0.00000 -3.03000 0.00000 -2.41000 0.00000 0.00000 64.00000 HSE1_1SEM-19_7.PDB 9.69000 -38.86000 -13.99000 -67.52000 -3.87000 84.22000 -87.54000 9.52000 36.35000 92.95000 0.00000 0.00000 0.00000 2.95000 16.01000 0.00000 -2.51000 0.00000 -2.00000 0.00000 0.00000 64.00000 HSE1_1SEM-19_8.PDB 9.14000 -39.18000 -17.31000 -69.30000 -4.43000 88.18000 -88.81000 9.91000 37.96000 92.99000 0.00000 0.00000 0.00000 4.37000 16.07000 0.00000 -2.98000 0.00000 -2.28000 0.00000 0.00000 64.00000 HSE1_1SEM-19_9.PDB 11.95000 -38.04000 -12.98000 -67.71000 -4.09000 84.94000 -87.24000 9.70000 35.65000 92.70000 0.00000 0.00000 0.00000 3.03000 16.08000 0.00000 -2.44000 0.00000 -1.58000 0.00000 0.00000 64.00000 HSE1_1SEM-19_10.PDB 13.30000 -38.29000 -11.84000 -67.46000 -3.63000 84.02000 -87.62000 11.49000 34.41000 91.85000 0.00000 0.00000 0.00000 3.87000 15.85000 0.00000 -1.98000 0.00000 -1.53000 0.00000 0.00000 64.00000 HSE1_1SEM-19_11.PDB 11.49000 -38.50000 -15.67000 -66.91000 -3.44000 83.98000 -86.75000 10.34000 36.22000 92.45000 0.00000 0.00000 0.00000 3.84000 16.06000 0.00000 -2.52000 0.00000 -1.55000 0.00000 0.00000 64.00000 HSE1_1SEM-19_12.PDB 11.36000 -38.36000 -16.04000 -68.56000 -4.20000 86.04000 -88.39000 11.78000 37.23000 93.19000 0.00000 0.00000 0.00000 3.10000 16.16000 0.00000 -2.41000 0.00000 -2.03000 0.00000 0.00000 64.00000 HSE1_1SEM-19_13.PDB 12.80000 -38.06000 -14.07000 -68.39000 -4.51000 85.26000 -88.49000 10.91000 37.97000 92.14000 0.00000 0.00000 0.00000 5.20000 15.86000 0.00000 -2.70000 0.00000 -2.44000 0.00000 0.00000 64.00000 HSE1_1SEM-19_14.PDB 11.83000 -39.19000 -13.78000 -68.72000 -4.31000 85.53000 -88.94000 10.56000 37.34000 92.90000 0.00000 0.00000 0.00000 5.53000 16.22000 0.00000 -2.81000 0.00000 -2.28000 0.00000 0.00000 64.00000 HSE1_1SEM-19_15.PDB 10.80000 -39.28000 -12.92000 -67.51000 -3.81000 83.81000 -87.91000 11.24000 35.40000 92.47000 0.00000 0.00000 0.00000 3.62000 15.78000 0.00000 -2.25000 0.00000 -2.06000 0.00000 0.00000 64.00000 HSE1_1SEM-19_16.PDB 12.60000 -38.73000 -12.93000 -68.42000 -3.12000 84.27000 -89.10000 11.32000 36.01000 92.80000 0.00000 0.00000 0.00000 4.06000 15.88000 0.00000 -2.32000 0.00000 -1.25000 0.00000 0.00000 64.00000 HSE1_1SEM-19_17.PDB 8.51000 -39.99000 -18.26000 -69.34000 -4.23000 88.51000 -88.74000 10.14000 38.26000 93.84000 0.00000 0.00000 0.00000 3.51000 16.15000 0.00000 -2.89000 0.00000 -2.30000 0.00000 0.00000 64.00000 HSE1_1SEM-19_18.PDB 9.37000 -38.76000 -19.83000 -68.51000 -3.77000 86.85000 -88.43000 11.73000 38.12000 91.68000 0.00000 0.00000 0.00000 4.50000 15.94000 0.00000 -2.04000 0.00000 -2.19000 0.00000 0.00000 64.00000 HSE1_1SEM-19_19.PDB 12.94000 -38.10000 -14.92000 -69.08000 -3.60000 87.14000 -89.08000 10.49000 37.45000 92.84000 0.00000 0.00000 0.00000 4.14000 16.36000 0.00000 -2.56000 0.00000 -1.78000 0.00000 0.00000 64.00000 HSE1_1SEM-19_20.PDB 11.06000 -38.83000 -14.93000 -69.08000 -4.33000 85.63000 -89.67000 10.71000 38.43000 93.02000 0.00000 0.00000 0.00000 4.69000 15.81000 0.00000 -2.46000 0.00000 -2.13000 0.00000 0.00000 64.00000 HSE1_1SEM-19_21.PDB 13.61000 -38.25000 -12.02000 -67.96000 -2.76000 82.64000 -89.10000 11.71000 34.79000 93.01000 0.00000 0.00000 0.00000 5.01000 16.06000 0.00000 -2.27000 0.00000 -1.19000 0.00000 0.00000 64.00000 HSE1_1SEM-19_22.PDB 11.91000 -38.28000 -16.45000 -68.47000 -4.21000 86.38000 -88.33000 9.91000 38.13000 93.55000 0.00000 0.00000 0.00000 5.12000 16.18000 0.00000 -3.04000 0.00000 -2.39000 0.00000 0.00000 64.00000 HSE1_1SEM-19_23.PDB 11.60000 -39.79000 -12.28000 -67.25000 -3.34000 83.67000 -87.21000 10.76000 33.59000 92.93000 0.00000 0.00000 0.00000 4.54000 16.06000 0.00000 -2.70000 0.00000 -1.33000 0.00000 0.00000 64.00000 HSE1_1SEM-19_24.PDB 11.73000 -37.70000 -12.79000 -68.36000 -4.58000 85.50000 -88.18000 9.52000 37.51000 92.07000 0.00000 0.00000 0.00000 4.17000 16.14000 0.00000 -2.86000 0.00000 -2.58000 0.00000 0.00000 64.00000 HSE1_1SEM-19_25.PDB 11.37000 -38.04000 -12.81000 -66.80000 -3.25000 83.42000 -86.67000 9.56000 34.41000 91.64000 0.00000 0.00000 0.00000 3.82000 15.92000 0.00000 -2.51000 0.00000 -1.41000 0.00000 0.00000 64.00000 HSE1_1SEM-19_26.PDB 10.59000 -39.47000 -15.56000 -69.12000 -4.70000 88.46000 -88.65000 11.03000 37.18000 93.32000 0.00000 0.00000 0.00000 3.71000 16.11000 0.00000 -2.88000 0.00000 -2.71000 0.00000 0.00000 64.00000 HSE1_1SEM-19_27.PDB 12.09000 -40.50000 -11.50000 -69.22000 -3.69000 86.13000 -89.47000 11.13000 36.09000 94.29000 0.00000 0.00000 0.00000 3.32000 16.24000 0.00000 -2.88000 0.00000 -1.62000 0.00000 0.00000 64.00000 HSE1_1SEM-19_28.PDB 12.65000 -38.89000 -12.51000 -69.21000 -3.32000 85.76000 -89.71000 10.07000 35.77000 93.93000 0.00000 0.00000 0.00000 5.25000 16.51000 0.00000 -2.98000 0.00000 -1.50000 0.00000 0.00000 64.00000 HSE1_1SEM-19_29.PDB 9.79000 -37.47000 -15.51000 -68.31000 -4.14000 85.21000 -88.49000 10.41000 37.53000 92.18000 0.00000 0.00000 0.00000 3.33000 15.87000 0.00000 -2.80000 0.00000 -2.15000 0.00000 0.00000 64.00000 HSE1_1SEM-19_30.PDB 11.65000 -38.60000 -14.60000 -67.88000 -2.67000 83.14000 -88.88000 10.91000 35.85000 92.74000 0.00000 0.00000 0.00000 4.82000 15.90000 0.00000 -2.24000 0.00000 -0.94000 0.00000 0.00000 64.00000