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-17_1.PDB 11.89000 -37.64000 -10.92000 -68.86000 -1.94000 84.12000 -89.57000 10.45000 34.28000 90.33000 0.00000 0.00000 0.00000 4.54000 16.41000 0.00000 -2.74000 0.00000 -0.16000 0.00000 0.00000 64.00000 HSE1_1SEM-17_2.PDB 11.57000 -37.75000 -9.68000 -69.98000 -2.59000 85.55000 -90.85000 10.26000 34.96000 90.24000 0.00000 0.00000 0.00000 4.62000 16.56000 0.00000 -2.76000 0.00000 -0.44000 0.00000 0.00000 64.00000 HSE1_1SEM-17_3.PDB 11.69000 -38.11000 -10.30000 -69.62000 -2.45000 85.29000 -90.25000 10.58000 34.66000 90.53000 0.00000 0.00000 0.00000 4.45000 16.51000 0.00000 -2.80000 0.00000 -0.29000 0.00000 0.00000 64.00000 HSE1_1SEM-17_4.PDB 13.08000 -37.62000 -12.63000 -70.32000 -2.46000 87.96000 -90.35000 11.20000 35.86000 90.06000 0.00000 0.00000 0.00000 4.09000 16.78000 0.00000 -2.52000 0.00000 -0.19000 0.00000 0.00000 64.00000 HSE1_1SEM-17_5.PDB 12.45000 -37.47000 -10.47000 -69.95000 -2.05000 85.39000 -90.79000 10.33000 34.81000 90.79000 0.00000 0.00000 0.00000 4.83000 16.55000 0.00000 -2.77000 0.00000 -0.20000 0.00000 0.00000 64.00000 HSE1_1SEM-17_6.PDB 14.68000 -37.06000 -10.14000 -68.59000 -2.10000 84.57000 -88.82000 10.87000 33.81000 90.66000 0.00000 0.00000 0.00000 4.22000 16.50000 0.00000 -2.54000 0.00000 -0.21000 0.00000 0.00000 64.00000 HSE1_1SEM-17_7.PDB 11.63000 -37.69000 -11.07000 -69.36000 -2.37000 85.16000 -90.01000 11.00000 34.49000 89.60000 0.00000 0.00000 0.00000 4.54000 16.43000 0.00000 -2.65000 0.00000 -0.00000 0.00000 0.00000 64.00000 HSE1_1SEM-17_8.PDB 10.76000 -38.08000 -11.09000 -70.50000 -1.92000 85.84000 -91.60000 10.42000 35.25000 90.63000 0.00000 0.00000 0.00000 4.52000 16.62000 0.00000 -2.77000 0.00000 0.06000 0.00000 0.00000 64.00000 HSE1_1SEM-17_9.PDB 11.50000 -37.74000 -10.94000 -68.95000 -2.27000 84.62000 -89.61000 10.40000 34.06000 90.22000 0.00000 0.00000 0.00000 4.40000 16.40000 0.00000 -2.74000 0.00000 0.04000 0.00000 0.00000 64.00000 HSE1_1SEM-17_10.PDB 12.22000 -37.82000 -11.31000 -68.91000 -1.49000 84.22000 -89.82000 10.83000 34.55000 90.31000 0.00000 0.00000 0.00000 4.24000 16.45000 0.00000 -2.53000 0.00000 -0.04000 0.00000 0.00000 64.00000 HSE1_1SEM-17_11.PDB 12.43000 -37.68000 -10.95000 -69.47000 -1.87000 84.77000 -90.31000 11.04000 35.02000 90.45000 0.00000 0.00000 0.00000 4.14000 16.54000 0.00000 -2.88000 0.00000 0.18000 0.00000 0.00000 64.00000 HSE1_1SEM-17_12.PDB 13.01000 -37.34000 -10.44000 -69.04000 -1.90000 84.77000 -89.66000 10.42000 34.24000 90.72000 0.00000 0.00000 0.00000 4.02000 16.51000 0.00000 -2.97000 0.00000 0.19000 0.00000 0.00000 64.00000 HSE1_1SEM-17_13.PDB 12.74000 -37.22000 -10.48000 -68.83000 -2.39000 84.01000 -89.72000 10.69000 34.05000 91.08000 0.00000 0.00000 0.00000 4.40000 16.40000 0.00000 -2.48000 0.00000 -0.38000 0.00000 0.00000 64.00000 HSE1_1SEM-17_14.PDB 11.54000 -37.60000 -10.79000 -69.52000 -2.79000 85.44000 -90.29000 10.48000 34.63000 90.19000 0.00000 0.00000 0.00000 4.61000 16.40000 0.00000 -2.85000 0.00000 0.04000 0.00000 0.00000 64.00000 HSE1_1SEM-17_15.PDB 12.10000 -37.43000 -9.24000 -69.43000 -2.35000 84.31000 -90.72000 10.62000 34.20000 90.86000 0.00000 0.00000 0.00000 4.08000 16.56000 0.00000 -2.49000 0.00000 -0.33000 0.00000 0.00000 64.00000 HSE1_1SEM-17_16.PDB 12.23000 -37.94000 -10.00000 -70.07000 -1.98000 85.24000 -91.42000 11.72000 34.61000 90.58000 0.00000 0.00000 0.00000 4.17000 16.41000 0.00000 -2.42000 0.00000 -0.26000 0.00000 0.00000 64.00000 HSE1_1SEM-17_17.PDB 12.82000 -37.47000 -8.66000 -68.15000 -2.44000 83.24000 -88.99000 10.75000 33.66000 90.12000 0.00000 0.00000 0.00000 3.80000 16.28000 0.00000 -2.75000 0.00000 -0.29000 0.00000 0.00000 64.00000 HSE1_1SEM-17_18.PDB 13.47000 -37.77000 -10.67000 -69.49000 -2.36000 85.16000 -90.25000 12.57000 34.62000 90.19000 0.00000 0.00000 0.00000 4.02000 16.45000 0.00000 -2.76000 0.00000 0.21000 0.00000 0.00000 64.00000 HSE1_1SEM-17_19.PDB 12.36000 -37.60000 -11.14000 -69.65000 -2.73000 85.73000 -90.38000 10.81000 34.70000 90.53000 0.00000 0.00000 0.00000 4.65000 16.48000 0.00000 -2.66000 0.00000 0.11000 0.00000 0.00000 64.00000 HSE1_1SEM-17_20.PDB 12.17000 -37.21000 -10.61000 -69.46000 -2.46000 84.48000 -90.60000 10.70000 34.39000 91.55000 0.00000 0.00000 0.00000 4.09000 16.54000 0.00000 -2.36000 0.00000 -0.33000 0.00000 0.00000 64.00000 HSE1_1SEM-17_21.PDB 14.60000 -36.93000 -10.25000 -69.18000 -2.28000 84.36000 -90.23000 11.55000 34.22000 91.78000 0.00000 0.00000 0.00000 4.36000 16.45000 0.00000 -2.48000 0.00000 -0.31000 0.00000 0.00000 64.00000 HSE1_1SEM-17_22.PDB 14.38000 -37.07000 -10.35000 -70.21000 -2.32000 85.99000 -91.24000 11.70000 34.89000 90.94000 0.00000 0.00000 0.00000 4.55000 16.58000 0.00000 -2.68000 0.00000 0.17000 0.00000 0.00000 64.00000 HSE1_1SEM-17_23.PDB 14.46000 -37.34000 -9.32000 -69.18000 -2.35000 84.84000 -89.93000 11.50000 34.52000 90.14000 0.00000 0.00000 0.00000 4.05000 16.39000 0.00000 -2.62000 0.00000 0.16000 0.00000 0.00000 64.00000 HSE1_1SEM-17_24.PDB 13.52000 -37.39000 -10.67000 -68.50000 -2.11000 83.58000 -89.36000 10.69000 34.45000 91.14000 0.00000 0.00000 0.00000 4.30000 16.37000 0.00000 -2.37000 0.00000 -0.25000 0.00000 0.00000 64.00000 HSE1_1SEM-17_25.PDB 11.57000 -37.31000 -10.46000 -69.04000 -2.26000 83.94000 -90.25000 10.77000 34.00000 90.89000 0.00000 0.00000 0.00000 3.99000 16.39000 0.00000 -2.76000 0.00000 0.06000 0.00000 0.00000 64.00000 HSE1_1SEM-17_26.PDB 11.98000 -37.41000 -9.63000 -69.74000 -1.52000 83.97000 -91.54000 10.92000 34.15000 91.27000 0.00000 0.00000 0.00000 4.00000 16.45000 0.00000 -2.16000 0.00000 -0.31000 0.00000 0.00000 64.00000 HSE1_1SEM-17_27.PDB 12.02000 -37.92000 -10.38000 -69.14000 -1.89000 84.49000 -89.79000 10.31000 34.35000 90.20000 0.00000 0.00000 0.00000 4.75000 16.45000 0.00000 -2.78000 0.00000 -0.18000 0.00000 0.00000 64.00000 HSE1_1SEM-17_28.PDB 12.42000 -37.38000 -10.35000 -68.47000 -1.93000 83.17000 -89.53000 11.18000 34.04000 90.75000 0.00000 0.00000 0.00000 3.87000 16.51000 0.00000 -2.88000 0.00000 -0.05000 0.00000 0.00000 64.00000 HSE1_1SEM-17_29.PDB 11.86000 -37.34000 -10.37000 -68.63000 -2.03000 83.22000 -89.85000 11.00000 33.65000 90.80000 0.00000 0.00000 0.00000 4.04000 16.34000 0.00000 -2.74000 0.00000 0.11000 0.00000 0.00000 64.00000 HSE1_1SEM-17_30.PDB 11.29000 -37.99000 -10.58000 -69.55000 -1.64000 84.86000 -90.39000 10.02000 34.73000 90.33000 0.00000 0.00000 0.00000 4.35000 16.50000 0.00000 -2.72000 0.00000 -0.11000 0.00000 0.00000 64.00000