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-5_1.PDB 18.36000 -39.14000 -10.46000 -69.75000 -2.45000 84.34000 -91.56000 21.23000 33.67000 88.70000 0.00000 0.00000 0.00000 5.75000 18.03000 0.00000 -1.81000 0.00000 -0.16000 0.00000 0.00000 65.00000 HSE1_1SEM-5_2.PDB 18.66000 -38.46000 -8.89000 -70.96000 -2.26000 86.23000 -92.72000 22.39000 32.31000 88.72000 0.00000 0.00000 0.00000 4.65000 18.23000 0.00000 -2.19000 0.00000 -0.16000 0.00000 0.00000 65.00000 HSE1_1SEM-5_3.PDB 19.40000 -39.99000 -10.35000 -70.41000 -2.51000 85.39000 -92.46000 22.58000 33.88000 89.51000 0.00000 0.00000 0.00000 5.76000 17.94000 0.00000 -1.93000 0.00000 -0.07000 0.00000 0.00000 65.00000 HSE1_1SEM-5_4.PDB 20.37000 -37.37000 -9.73000 -72.17000 -2.95000 86.94000 -94.79000 24.29000 34.05000 88.68000 0.00000 0.00000 0.00000 5.78000 18.44000 0.00000 -2.17000 0.00000 -0.18000 0.00000 0.00000 65.00000 HSE1_1SEM-5_5.PDB 11.77000 -37.45000 -12.15000 -70.60000 -2.12000 84.06000 -93.22000 17.78000 35.81000 88.07000 0.00000 0.00000 0.00000 4.33000 18.37000 0.00000 -2.65000 0.00000 -0.10000 0.00000 0.00000 65.00000 HSE1_1SEM-5_6.PDB 9.48000 -38.61000 -10.72000 -70.95000 -2.43000 85.21000 -93.40000 15.53000 34.04000 89.06000 0.00000 0.00000 0.00000 4.44000 18.24000 0.00000 -2.55000 0.00000 -0.14000 0.00000 0.00000 65.00000 HSE1_1SEM-5_7.PDB 11.38000 -38.06000 -9.65000 -70.73000 -2.28000 84.17000 -93.28000 16.19000 33.92000 88.45000 0.00000 0.00000 0.00000 5.45000 18.41000 0.00000 -2.68000 0.00000 -0.12000 0.00000 0.00000 65.00000 HSE1_1SEM-5_8.PDB 12.90000 -38.74000 -9.03000 -70.44000 -2.05000 84.35000 -92.92000 15.96000 33.76000 89.47000 0.00000 0.00000 0.00000 4.52000 18.24000 0.00000 -1.96000 0.00000 -0.03000 0.00000 0.00000 65.00000 HSE1_1SEM-5_9.PDB 10.10000 -40.15000 -11.96000 -70.00000 -2.97000 85.77000 -91.43000 15.51000 34.83000 88.98000 0.00000 0.00000 0.00000 4.48000 18.04000 0.00000 -2.42000 0.00000 -0.54000 0.00000 0.00000 65.00000 HSE1_1SEM-5_10.PDB 14.10000 -39.24000 -9.55000 -71.17000 -2.76000 87.69000 -92.99000 17.01000 34.17000 88.68000 0.00000 0.00000 0.00000 4.67000 18.48000 0.00000 -2.28000 0.00000 -0.15000 0.00000 0.00000 65.00000 HSE1_1SEM-5_11.PDB 11.82000 -39.12000 -9.36000 -69.54000 -2.64000 83.83000 -91.15000 15.62000 33.63000 88.63000 0.00000 0.00000 0.00000 4.36000 18.17000 0.00000 -1.94000 0.00000 -0.50000 0.00000 0.00000 65.00000 HSE1_1SEM-5_12.PDB 12.78000 -38.93000 -9.30000 -69.50000 -2.39000 84.93000 -90.88000 15.86000 32.50000 88.29000 0.00000 0.00000 0.00000 4.63000 18.16000 0.00000 -2.27000 0.00000 -0.17000 0.00000 0.00000 65.00000 HSE1_1SEM-5_13.PDB 17.30000 -39.33000 -9.70000 -70.95000 -2.43000 85.46000 -93.42000 21.38000 33.63000 89.72000 0.00000 0.00000 0.00000 5.02000 18.18000 0.00000 -2.02000 0.00000 -0.07000 0.00000 0.00000 65.00000 HSE1_1SEM-5_14.PDB 19.73000 -39.64000 -9.96000 -72.53000 -1.95000 87.32000 -95.59000 24.79000 34.54000 89.64000 0.00000 0.00000 0.00000 5.67000 18.74000 0.00000 -2.36000 0.00000 -0.19000 0.00000 0.00000 65.00000 HSE1_1SEM-5_15.PDB 16.41000 -40.09000 -12.55000 -71.61000 -4.37000 88.55000 -92.81000 20.05000 36.01000 89.81000 0.00000 0.00000 0.00000 6.68000 18.29000 0.00000 -2.54000 0.00000 -0.72000 0.00000 0.00000 65.00000 HSE1_1SEM-5_16.PDB 10.58000 -38.53000 -9.46000 -70.02000 -3.53000 85.91000 -91.42000 13.56000 33.67000 88.68000 0.00000 0.00000 0.00000 4.71000 18.14000 0.00000 -2.06000 0.00000 -0.94000 0.00000 0.00000 65.00000 HSE1_1SEM-5_17.PDB 17.20000 -37.52000 -9.70000 -71.38000 -2.27000 85.47000 -94.00000 21.94000 33.22000 88.95000 0.00000 0.00000 0.00000 4.93000 18.40000 0.00000 -2.33000 0.00000 -0.12000 0.00000 0.00000 65.00000 HSE1_1SEM-5_18.PDB 13.01000 -40.83000 -11.72000 -71.21000 -3.17000 88.11000 -93.12000 17.05000 35.31000 89.33000 0.00000 0.00000 0.00000 5.78000 18.44000 0.00000 -2.38000 0.00000 -0.15000 0.00000 0.00000 65.00000 HSE1_1SEM-5_19.PDB 12.00000 -40.65000 -11.04000 -69.97000 -3.17000 85.22000 -91.20000 16.18000 34.58000 90.29000 0.00000 0.00000 0.00000 4.52000 18.11000 0.00000 -2.10000 0.00000 -0.65000 0.00000 0.00000 65.00000 HSE1_1SEM-5_20.PDB 17.63000 -37.63000 -8.83000 -69.90000 -2.98000 85.07000 -91.27000 20.40000 32.58000 88.40000 0.00000 0.00000 0.00000 4.89000 18.00000 0.00000 -2.13000 0.00000 -0.96000 0.00000 0.00000 65.00000 HSE1_1SEM-5_21.PDB 14.71000 -39.18000 -9.54000 -69.39000 -2.57000 84.40000 -91.08000 15.64000 34.09000 88.98000 0.00000 0.00000 0.00000 5.74000 18.13000 0.00000 -2.28000 0.00000 -0.09000 0.00000 0.00000 65.00000 HSE1_1SEM-5_22.PDB 10.51000 -39.67000 -9.94000 -70.22000 -2.71000 84.88000 -92.07000 15.08000 34.36000 89.14000 0.00000 0.00000 0.00000 4.23000 18.29000 0.00000 -2.04000 0.00000 -0.51000 0.00000 0.00000 65.00000 HSE1_1SEM-5_23.PDB 12.48000 -38.92000 -9.26000 -70.89000 -2.41000 86.53000 -93.00000 15.98000 33.42000 88.82000 0.00000 0.00000 0.00000 4.69000 18.42000 0.00000 -2.30000 0.00000 -0.17000 0.00000 0.00000 65.00000 HSE1_1SEM-5_24.PDB 19.00000 -39.60000 -10.47000 -71.38000 -3.63000 88.13000 -93.32000 20.56000 34.92000 89.74000 0.00000 0.00000 0.00000 6.95000 18.13000 0.00000 -2.00000 0.00000 -0.89000 0.00000 0.00000 65.00000 HSE1_1SEM-5_25.PDB 12.31000 -38.00000 -10.47000 -69.28000 -3.00000 84.50000 -90.60000 14.77000 34.07000 87.79000 0.00000 0.00000 0.00000 5.31000 18.16000 0.00000 -1.91000 0.00000 -0.87000 0.00000 0.00000 65.00000 HSE1_1SEM-5_26.PDB 18.21000 -39.19000 -9.55000 -72.20000 -2.13000 87.07000 -95.21000 23.82000 33.59000 90.03000 0.00000 0.00000 0.00000 4.50000 18.61000 0.00000 -2.32000 0.00000 -0.20000 0.00000 0.00000 65.00000 HSE1_1SEM-5_27.PDB 14.09000 -39.40000 -9.96000 -71.60000 -2.58000 86.94000 -93.90000 18.80000 34.76000 88.79000 0.00000 0.00000 0.00000 4.82000 18.46000 0.00000 -2.44000 0.00000 -0.15000 0.00000 0.00000 65.00000 HSE1_1SEM-5_28.PDB 12.34000 -39.04000 -9.44000 -70.08000 -2.15000 85.16000 -92.01000 16.16000 32.93000 88.70000 0.00000 0.00000 0.00000 4.64000 18.30000 0.00000 -2.35000 0.00000 -0.17000 0.00000 0.00000 65.00000 HSE1_1SEM-5_29.PDB 11.56000 -37.84000 -9.14000 -70.87000 -3.32000 86.47000 -92.82000 14.31000 34.32000 88.94000 0.00000 0.00000 0.00000 4.30000 18.35000 0.00000 -1.86000 0.00000 -0.95000 0.00000 0.00000 65.00000 HSE1_1SEM-5_30.PDB 18.07000 -40.29000 -12.15000 -71.64000 -2.62000 87.62000 -93.85000 24.43000 35.17000 89.81000 0.00000 0.00000 0.00000 4.34000 18.49000 0.00000 -2.17000 0.00000 -0.56000 0.00000 0.00000 65.00000