name Intraclash total energy Backbone Hbond 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-16_1.PDB 8.28740 -5.23000 -3.20000 -4.04000 -10.59000 -3.39000 13.25000 -13.09000 5.41000 8.50000 4.93000 0.00000 0.00000 0.00000 0.34000 0.60000 0.00000 -0.85000 0.00000 -2.52000 0.00000 2.38000 64.00000 HSE1_1SEM-16_2.PDB 8.98829 -6.96000 -3.40000 -3.37000 -10.57000 -3.51000 13.56000 -12.69000 3.34000 8.91000 4.20000 0.00000 0.00000 0.00000 0.95000 0.60000 0.00000 -1.68000 0.00000 -2.69000 0.00000 2.38000 64.00000 HSE1_1SEM-16_3.PDB 7.99280 -4.36000 -2.33000 -3.75000 -10.19000 -3.36000 12.79000 -12.76000 5.46000 8.14000 4.26000 0.00000 0.00000 0.00000 0.65000 0.59000 0.00000 -0.75000 0.00000 -2.52000 0.00000 2.38000 64.00000 HSE1_1SEM-16_4.PDB 8.21644 -5.70000 -1.83000 -3.32000 -10.34000 -3.31000 13.27000 -12.87000 3.03000 8.20000 4.54000 0.00000 0.00000 0.00000 0.26000 0.57000 0.00000 -0.78000 0.00000 -2.56000 0.00000 2.38000 64.00000 HSE1_1SEM-16_5.PDB 7.44568 -5.71000 -2.61000 -4.26000 -10.58000 -3.55000 13.47000 -12.68000 3.57000 9.42000 4.78000 0.00000 0.00000 0.00000 0.27000 0.68000 0.00000 -0.80000 0.00000 -2.76000 0.00000 2.38000 64.00000 HSE1_1SEM-16_6.PDB 6.29819 -2.95000 -1.74000 -3.24000 -10.57000 -3.59000 12.90000 -13.36000 6.78000 8.06000 4.66000 0.00000 0.00000 0.00000 0.43000 0.54000 0.00000 -0.63000 0.00000 -2.65000 0.00000 2.38000 64.00000 HSE1_1SEM-16_7.PDB 7.19382 -3.10000 -0.84000 -2.30000 -9.03000 -1.76000 9.70000 -12.01000 3.74000 7.05000 4.17000 0.00000 0.00000 0.00000 0.40000 0.46000 0.00000 -0.57000 0.00000 -1.66000 0.00000 2.38000 64.00000 HSE1_1SEM-16_8.PDB 4.65084 -3.32000 -1.73000 -2.59000 -10.36000 -2.52000 12.51000 -12.86000 4.25000 8.19000 4.85000 0.00000 0.00000 0.00000 0.35000 0.63000 0.00000 -1.37000 0.00000 -2.03000 0.00000 2.38000 64.00000 HSE1_1SEM-16_9.PDB 7.43607 -4.30000 -1.76000 -2.59000 -9.97000 -3.05000 11.64000 -12.81000 4.08000 8.46000 4.37000 0.00000 0.00000 0.00000 0.61000 0.50000 0.00000 -0.85000 0.00000 -2.43000 0.00000 2.38000 64.00000 HSE1_1SEM-16_10.PDB 7.28188 -3.82000 -0.86000 -2.20000 -9.10000 -2.04000 10.38000 -11.65000 2.66000 7.05000 3.98000 0.00000 0.00000 0.00000 0.21000 0.56000 0.00000 -0.47000 0.00000 -1.77000 0.00000 2.38000 64.00000 HSE1_1SEM-16_11.PDB 7.18457 -4.10000 -0.86000 -3.12000 -9.23000 -2.44000 10.80000 -11.89000 2.51000 7.95000 4.62000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.47000 0.00000 -2.11000 0.00000 2.38000 64.00000 HSE1_1SEM-16_12.PDB 6.96915 -2.84000 -0.87000 -3.57000 -10.32000 -2.83000 12.39000 -13.21000 5.40000 9.02000 4.73000 0.00000 0.00000 0.00000 0.30000 0.60000 0.00000 -1.49000 0.00000 -2.40000 0.00000 2.38000 64.00000 HSE1_1SEM-16_13.PDB 5.35527 -3.86000 -1.72000 -2.92000 -10.66000 -3.78000 12.86000 -13.36000 6.20000 8.33000 4.47000 0.00000 0.00000 0.00000 0.13000 0.64000 0.00000 -0.68000 0.00000 -2.73000 0.00000 2.38000 64.00000 HSE1_1SEM-16_14.PDB 8.63971 -3.59000 -2.35000 -3.67000 -10.00000 -3.30000 13.05000 -12.07000 5.19000 7.68000 4.62000 0.00000 0.00000 0.00000 0.10000 0.68000 0.00000 -0.43000 0.00000 -2.41000 0.00000 2.38000 64.00000 HSE1_1SEM-16_15.PDB 8.53693 -2.95000 -0.87000 -3.01000 -9.47000 -2.56000 10.78000 -12.28000 3.99000 8.23000 4.28000 0.00000 0.00000 0.00000 0.58000 0.54000 0.00000 -0.48000 0.00000 -2.13000 0.00000 2.38000 64.00000 HSE1_1SEM-16_16.PDB 8.99887 -6.33000 -2.61000 -3.37000 -10.32000 -3.60000 12.66000 -12.86000 3.98000 8.34000 4.66000 0.00000 0.00000 0.00000 0.42000 0.56000 0.00000 -0.90000 0.00000 -2.75000 0.00000 2.38000 64.00000 HSE1_1SEM-16_17.PDB 7.61272 -4.76000 -0.88000 -2.46000 -9.78000 -2.40000 10.95000 -13.00000 3.89000 6.82000 4.40000 0.00000 0.00000 0.00000 0.11000 0.58000 0.00000 -0.44000 0.00000 -1.97000 0.00000 2.38000 64.00000 HSE1_1SEM-16_18.PDB 6.42781 -3.64000 -0.83000 -2.11000 -9.12000 -1.93000 10.02000 -12.02000 4.06000 7.08000 3.87000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -1.04000 0.00000 -1.68000 0.00000 2.38000 64.00000 HSE1_1SEM-16_19.PDB 7.71151 -4.99000 -2.44000 -3.54000 -10.18000 -3.32000 12.91000 -12.79000 3.56000 8.74000 4.41000 0.00000 0.00000 0.00000 0.85000 0.55000 0.00000 -0.66000 0.00000 -2.55000 0.00000 2.38000 64.00000 HSE1_1SEM-16_20.PDB 4.93454 -3.58000 -0.81000 -1.68000 -10.18000 -3.03000 12.30000 -13.06000 4.41000 7.38000 4.31000 0.00000 0.00000 0.00000 0.38000 0.46000 0.00000 -1.21000 0.00000 -2.39000 0.00000 2.38000 64.00000 HSE1_1SEM-16_21.PDB 5.18565 -8.24000 -3.29000 -4.21000 -10.85000 -4.21000 14.08000 -12.86000 2.88000 9.44000 4.91000 0.00000 0.00000 0.00000 0.18000 0.77000 0.00000 -1.26000 0.00000 -3.06000 0.00000 2.38000 64.00000 HSE1_1SEM-16_22.PDB 8.44749 -5.82000 -1.74000 -2.59000 -10.26000 -3.20000 11.49000 -13.16000 3.19000 8.48000 4.60000 0.00000 0.00000 0.00000 0.81000 0.48000 0.00000 -1.03000 0.00000 -2.40000 0.00000 2.38000 64.00000 HSE1_1SEM-16_23.PDB 8.60860 -4.70000 -1.72000 -1.69000 -9.91000 -3.01000 12.10000 -12.54000 2.61000 7.33000 4.98000 0.00000 0.00000 0.00000 0.44000 0.55000 0.00000 -1.03000 0.00000 -2.24000 0.00000 2.38000 64.00000 HSE1_1SEM-16_24.PDB 8.12570 -4.39000 -2.46000 -3.95000 -10.15000 -3.56000 12.87000 -12.54000 5.72000 8.50000 4.34000 0.00000 0.00000 0.00000 0.42000 0.58000 0.00000 -0.87000 0.00000 -2.72000 0.00000 2.38000 64.00000 HSE1_1SEM-16_25.PDB 6.36776 -4.95000 -2.63000 -2.61000 -10.07000 -3.10000 12.27000 -12.36000 3.26000 8.93000 4.62000 0.00000 0.00000 0.00000 0.26000 0.66000 0.00000 -1.13000 0.00000 -2.37000 0.00000 2.38000 64.00000 HSE1_1SEM-16_26.PDB 7.21104 -5.55000 -1.73000 -3.88000 -10.10000 -2.32000 11.09000 -12.98000 4.08000 8.68000 4.36000 0.00000 0.00000 0.00000 0.13000 0.57000 0.00000 -0.94000 0.00000 -1.94000 0.00000 2.38000 64.00000 HSE1_1SEM-16_27.PDB 8.19536 -4.81000 -2.27000 -3.17000 -10.23000 -3.72000 13.06000 -12.33000 3.89000 8.38000 4.70000 0.00000 0.00000 0.00000 0.25000 0.62000 0.00000 -0.67000 0.00000 -2.70000 0.00000 2.38000 64.00000 HSE1_1SEM-16_28.PDB 5.05566 -3.92000 -2.56000 -4.21000 -9.67000 -2.66000 12.10000 -12.03000 4.63000 8.19000 4.40000 0.00000 0.00000 0.00000 0.59000 0.44000 0.00000 -0.49000 0.00000 -2.20000 0.00000 2.38000 64.00000 HSE1_1SEM-16_29.PDB 6.18368 -5.50000 -3.08000 -4.19000 -10.51000 -3.57000 13.14000 -12.99000 5.15000 9.21000 4.38000 0.00000 0.00000 0.00000 0.62000 0.47000 0.00000 -1.00000 0.00000 -2.66000 0.00000 2.38000 64.00000 HSE1_1SEM-16_30.PDB 7.91686 -4.22000 -0.83000 -2.73000 -9.63000 -2.43000 10.73000 -12.71000 4.33000 7.45000 4.30000 0.00000 0.00000 0.00000 0.07000 0.57000 0.00000 -0.67000 0.00000 -2.08000 0.00000 2.38000 64.00000