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-4_1.PDB 8.45000 -38.35000 -10.76000 -67.22000 -3.67000 80.28000 -87.89000 17.00000 34.00000 85.37000 0.00000 0.00000 0.00000 3.70000 15.53000 0.00000 -2.21000 0.00000 -1.81000 0.00000 0.00000 65.00000 HSE1_1SEM-4_2.PDB 6.10000 -39.13000 -12.37000 -67.26000 -3.60000 80.29000 -88.00000 17.39000 33.99000 85.08000 0.00000 0.00000 0.00000 3.71000 15.55000 0.00000 -2.13000 0.00000 -1.86000 0.00000 0.00000 65.00000 HSE1_1SEM-4_3.PDB 7.47000 -38.36000 -11.93000 -68.01000 -3.90000 81.11000 -88.82000 17.71000 34.41000 85.78000 0.00000 0.00000 0.00000 3.67000 15.70000 0.00000 -2.20000 0.00000 -2.00000 0.00000 0.00000 65.00000 HSE1_1SEM-4_4.PDB 8.16000 -40.25000 -13.01000 -68.37000 -3.77000 82.83000 -88.58000 17.03000 35.50000 87.61000 0.00000 0.00000 0.00000 3.63000 15.64000 0.00000 -2.26000 0.00000 -2.19000 0.00000 0.00000 65.00000 HSE1_1SEM-4_5.PDB 9.25000 -38.56000 -11.19000 -68.11000 -4.42000 82.94000 -88.31000 16.95000 34.97000 86.75000 0.00000 0.00000 0.00000 3.59000 16.30000 0.00000 -2.65000 0.00000 -2.72000 0.00000 0.00000 65.00000 HSE1_1SEM-4_6.PDB 8.09000 -38.34000 -12.00000 -67.70000 -3.80000 80.90000 -88.44000 16.73000 34.46000 86.66000 0.00000 0.00000 0.00000 3.59000 16.34000 0.00000 -2.13000 0.00000 -1.85000 0.00000 0.00000 65.00000 HSE1_1SEM-4_7.PDB 7.39000 -38.38000 -11.65000 -66.95000 -3.76000 80.40000 -87.48000 16.29000 33.95000 85.54000 0.00000 0.00000 0.00000 3.68000 16.26000 0.00000 -2.15000 0.00000 -2.11000 0.00000 0.00000 65.00000 HSE1_1SEM-4_8.PDB 8.34000 -39.92000 -12.94000 -66.94000 -3.04000 81.31000 -87.32000 16.12000 34.06000 87.88000 0.00000 0.00000 0.00000 3.52000 16.57000 0.00000 -2.39000 0.00000 -2.01000 0.00000 0.00000 65.00000 HSE1_1SEM-4_9.PDB 7.89000 -40.28000 -13.49000 -68.80000 -4.19000 83.85000 -88.66000 16.53000 36.77000 87.97000 0.00000 0.00000 0.00000 3.66000 15.98000 0.00000 -2.86000 0.00000 -2.61000 0.00000 0.00000 65.00000 HSE1_1SEM-4_10.PDB 6.12000 -38.37000 -11.67000 -67.36000 -3.90000 80.60000 -88.06000 16.19000 34.11000 85.41000 0.00000 0.00000 0.00000 3.58000 15.57000 0.00000 -2.29000 0.00000 -2.12000 0.00000 0.00000 65.00000 HSE1_1SEM-4_11.PDB 7.77000 -37.87000 -9.83000 -69.36000 -4.02000 82.55000 -90.71000 17.09000 34.41000 85.78000 0.00000 0.00000 0.00000 3.77000 16.04000 0.00000 -2.13000 0.00000 -1.91000 0.00000 0.00000 65.00000 HSE1_1SEM-4_12.PDB 7.98000 -39.16000 -10.64000 -68.37000 -3.79000 81.45000 -89.16000 16.72000 35.30000 86.68000 0.00000 0.00000 0.00000 3.77000 16.50000 0.00000 -2.80000 0.00000 -2.02000 0.00000 0.00000 65.00000 HSE1_1SEM-4_13.PDB 8.22000 -38.87000 -11.48000 -67.12000 -3.43000 80.56000 -87.51000 16.01000 34.64000 86.64000 0.00000 0.00000 0.00000 3.60000 16.61000 0.00000 -2.89000 0.00000 -1.93000 0.00000 0.00000 65.00000 HSE1_1SEM-4_14.PDB 10.49000 -39.12000 -11.93000 -68.01000 -4.64000 83.20000 -88.12000 17.06000 36.01000 87.88000 0.00000 0.00000 0.00000 3.71000 16.12000 0.00000 -2.48000 0.00000 -3.07000 0.00000 0.00000 65.00000 HSE1_1SEM-4_15.PDB 8.72000 -38.66000 -11.19000 -67.92000 -3.73000 81.48000 -88.59000 16.09000 34.64000 87.42000 0.00000 0.00000 0.00000 3.84000 16.21000 0.00000 -2.71000 0.00000 -1.95000 0.00000 0.00000 65.00000 HSE1_1SEM-4_16.PDB 5.37000 -37.87000 -10.89000 -69.62000 -4.55000 82.90000 -90.88000 16.51000 36.30000 84.96000 0.00000 0.00000 0.00000 3.58000 15.95000 0.00000 -2.54000 0.00000 -2.54000 0.00000 0.00000 65.00000 HSE1_1SEM-4_17.PDB 7.92000 -39.80000 -12.73000 -68.72000 -4.68000 83.97000 -89.11000 16.99000 35.35000 88.53000 0.00000 0.00000 0.00000 3.69000 16.43000 0.00000 -2.53000 0.00000 -3.04000 0.00000 0.00000 65.00000 HSE1_1SEM-4_18.PDB 8.02000 -39.54000 -12.84000 -68.33000 -4.54000 83.69000 -88.39000 17.01000 35.41000 87.73000 0.00000 0.00000 0.00000 3.59000 16.26000 0.00000 -2.65000 0.00000 -3.12000 0.00000 0.00000 65.00000 HSE1_1SEM-4_19.PDB 6.35000 -39.25000 -11.91000 -69.10000 -3.62000 81.68000 -90.91000 17.99000 35.35000 86.59000 0.00000 0.00000 0.00000 3.53000 16.03000 0.00000 -2.16000 0.00000 -1.84000 0.00000 0.00000 65.00000 HSE1_1SEM-4_20.PDB 8.00000 -40.24000 -14.47000 -69.88000 -4.97000 85.29000 -90.48000 18.81000 37.31000 88.44000 0.00000 0.00000 0.00000 3.74000 16.64000 0.00000 -2.50000 0.00000 -3.04000 0.00000 0.00000 65.00000 HSE1_1SEM-4_21.PDB 6.57000 -38.57000 -12.19000 -68.76000 -4.89000 83.13000 -89.17000 15.95000 35.84000 86.79000 0.00000 0.00000 0.00000 3.88000 16.24000 0.00000 -2.83000 0.00000 -2.62000 0.00000 0.00000 65.00000 HSE1_1SEM-4_22.PDB 8.93000 -39.99000 -13.19000 -67.64000 -4.13000 81.75000 -88.13000 18.55000 35.47000 87.44000 0.00000 0.00000 0.00000 3.84000 15.49000 0.00000 -2.83000 0.00000 -2.21000 0.00000 0.00000 65.00000 HSE1_1SEM-4_23.PDB 5.49000 -39.85000 -14.02000 -69.33000 -4.06000 83.10000 -90.81000 17.14000 36.51000 86.95000 0.00000 0.00000 0.00000 4.25000 15.87000 0.00000 -2.10000 0.00000 -2.30000 0.00000 0.00000 65.00000 HSE1_1SEM-4_24.PDB 7.84000 -38.50000 -10.95000 -68.59000 -3.80000 81.72000 -89.46000 16.31000 34.82000 87.51000 0.00000 0.00000 0.00000 3.68000 16.44000 0.00000 -2.69000 0.00000 -2.21000 0.00000 0.00000 65.00000 HSE1_1SEM-4_25.PDB 7.92000 -38.75000 -11.82000 -69.62000 -3.90000 83.02000 -90.84000 17.54000 36.33000 86.87000 0.00000 0.00000 0.00000 3.87000 16.80000 0.00000 -2.75000 0.00000 -2.04000 0.00000 0.00000 65.00000 HSE1_1SEM-4_26.PDB 5.88000 -38.70000 -12.44000 -69.56000 -4.69000 84.03000 -90.27000 16.68000 36.52000 86.21000 0.00000 0.00000 0.00000 4.05000 16.63000 0.00000 -2.95000 0.00000 -3.01000 0.00000 0.00000 65.00000 HSE1_1SEM-4_27.PDB 7.87000 -40.23000 -13.81000 -70.48000 -4.82000 85.21000 -91.61000 19.47000 37.50000 88.44000 0.00000 0.00000 0.00000 3.66000 16.84000 0.00000 -2.64000 0.00000 -2.82000 0.00000 0.00000 65.00000 HSE1_1SEM-4_28.PDB 4.99000 -38.08000 -12.99000 -69.69000 -3.96000 83.09000 -91.09000 16.84000 36.36000 85.85000 0.00000 0.00000 0.00000 3.81000 16.19000 0.00000 -2.74000 0.00000 -2.42000 0.00000 0.00000 65.00000 HSE1_1SEM-4_29.PDB 7.94000 -38.21000 -11.03000 -67.91000 -3.91000 80.85000 -89.07000 16.18000 35.86000 86.74000 0.00000 0.00000 0.00000 3.62000 15.70000 0.00000 -2.60000 0.00000 -2.58000 0.00000 0.00000 65.00000 HSE1_1SEM-4_30.PDB 6.42000 -39.17000 -11.59000 -69.28000 -3.54000 81.50000 -91.28000 16.96000 36.26000 87.53000 0.00000 0.00000 0.00000 3.82000 16.08000 0.00000 -2.36000 0.00000 -2.43000 0.00000 0.00000 65.00000