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-19_1.PDB 6.96277 -8.57000 -0.98000 -9.22000 -10.37000 -2.32000 13.54000 -12.58000 1.29000 9.34000 5.24000 0.00000 0.00000 0.00000 0.49000 0.37000 0.00000 -1.17000 0.00000 -1.84000 0.00000 2.38000 64.00000 HSE1_1SEM-19_2.PDB 4.87104 -9.37000 -1.12000 -11.04000 -11.55000 -3.79000 15.79000 -13.37000 3.31000 10.21000 5.70000 0.00000 0.00000 0.00000 0.19000 0.47000 0.00000 -1.08000 0.00000 -2.62000 0.00000 2.38000 64.00000 HSE1_1SEM-19_3.PDB 7.39606 -7.22000 -0.67000 -5.80000 -9.96000 -2.77000 12.24000 -12.21000 0.88000 8.30000 5.46000 0.00000 0.00000 0.00000 0.35000 0.29000 0.00000 -1.07000 0.00000 -1.97000 0.00000 2.38000 64.00000 HSE1_1SEM-19_4.PDB 7.22263 -6.63000 -2.69000 -4.32000 -9.90000 -1.79000 12.72000 -12.03000 0.78000 6.47000 5.94000 0.00000 0.00000 0.00000 0.77000 0.24000 0.00000 -1.16000 0.00000 -1.41000 0.00000 2.38000 64.00000 HSE1_1SEM-19_5.PDB 5.14511 -10.91000 -1.43000 -8.75000 -11.12000 -4.62000 14.93000 -12.60000 1.34000 10.03000 5.64000 0.00000 0.00000 0.00000 0.13000 0.43000 0.00000 -1.39000 0.00000 -3.07000 0.00000 2.38000 64.00000 HSE1_1SEM-19_6.PDB 5.40463 -9.18000 -0.85000 -8.84000 -10.18000 -3.49000 14.56000 -11.79000 1.11000 8.85000 5.10000 0.00000 0.00000 0.00000 0.09000 0.35000 0.00000 -1.32000 0.00000 -2.41000 0.00000 2.38000 64.00000 HSE1_1SEM-19_7.PDB 4.76091 -7.99000 -1.65000 -5.78000 -9.73000 -2.33000 12.27000 -11.90000 0.41000 8.01000 5.57000 0.00000 0.00000 0.00000 0.15000 0.24000 0.00000 -1.00000 0.00000 -2.00000 0.00000 2.38000 64.00000 HSE1_1SEM-19_8.PDB 5.89087 -9.13000 -1.07000 -8.20000 -10.60000 -3.21000 14.94000 -12.33000 0.83000 8.43000 5.66000 0.00000 0.00000 0.00000 0.11000 0.34000 0.00000 -1.40000 0.00000 -2.28000 0.00000 2.38000 64.00000 HSE1_1SEM-19_9.PDB 4.74537 -6.06000 -0.01000 -3.94000 -9.08000 -2.37000 11.40000 -10.86000 0.62000 5.76000 4.74000 0.00000 0.00000 0.00000 0.10000 0.29000 0.00000 -0.83000 0.00000 -1.58000 0.00000 2.38000 64.00000 HSE1_1SEM-19_10.PDB 4.67557 -5.33000 -0.31000 -2.82000 -9.83000 -2.32000 11.41000 -12.63000 2.33000 6.06000 4.51000 0.00000 0.00000 0.00000 0.17000 0.20000 0.00000 -0.37000 0.00000 -1.53000 0.00000 2.38000 64.00000 HSE1_1SEM-19_11.PDB 5.45670 -7.25000 -0.35000 -6.49000 -8.55000 -1.80000 10.78000 -10.77000 0.76000 6.79000 4.69000 0.00000 0.00000 0.00000 0.07000 0.29000 0.00000 -0.84000 0.00000 -1.55000 0.00000 2.38000 64.00000 HSE1_1SEM-19_12.PDB 4.61089 -5.82000 -0.30000 -6.98000 -10.21000 -2.66000 13.04000 -12.36000 2.68000 7.80000 5.66000 0.00000 0.00000 0.00000 0.14000 0.37000 0.00000 -0.61000 0.00000 -2.03000 0.00000 2.38000 64.00000 HSE1_1SEM-19_13.PDB 5.34464 -7.16000 -0.31000 -5.29000 -10.43000 -3.37000 12.41000 -13.13000 1.92000 9.75000 4.54000 0.00000 0.00000 0.00000 0.22000 0.32000 0.00000 -1.03000 0.00000 -2.44000 0.00000 2.38000 64.00000 HSE1_1SEM-19_14.PDB 6.61731 -6.04000 -1.14000 -4.72000 -9.90000 -2.92000 12.77000 -11.96000 1.42000 7.31000 5.74000 0.00000 0.00000 0.00000 0.64000 0.33000 0.00000 -0.99000 0.00000 -2.28000 0.00000 2.38000 64.00000 HSE1_1SEM-19_15.PDB 6.34858 -7.82000 -1.39000 -4.05000 -9.26000 -2.67000 11.28000 -11.80000 1.22000 6.59000 4.82000 0.00000 0.00000 0.00000 0.17000 0.22000 0.00000 -0.67000 0.00000 -2.06000 0.00000 2.38000 64.00000 HSE1_1SEM-19_16.PDB 5.04277 -6.06000 -0.98000 -4.16000 -10.27000 -1.71000 11.41000 -13.31000 1.93000 7.42000 5.45000 0.00000 0.00000 0.00000 0.16000 0.14000 0.00000 -0.76000 0.00000 -1.25000 0.00000 2.38000 64.00000 HSE1_1SEM-19_17.PDB 5.33986 -9.64000 -0.92000 -8.18000 -10.64000 -3.12000 14.65000 -12.29000 0.86000 7.90000 5.48000 0.00000 0.00000 0.00000 0.08000 0.38000 0.00000 -1.16000 0.00000 -2.30000 0.00000 2.38000 64.00000 HSE1_1SEM-19_18.PDB 5.37437 -9.66000 -0.71000 -10.78000 -10.62000 -2.68000 14.14000 -13.13000 2.45000 9.65000 4.38000 0.00000 0.00000 0.00000 0.24000 0.32000 0.00000 -0.42000 0.00000 -2.19000 0.00000 2.38000 64.00000 HSE1_1SEM-19_19.PDB 5.70990 -6.21000 -0.59000 -6.42000 -10.08000 -2.14000 13.41000 -12.29000 1.40000 8.27000 4.86000 0.00000 0.00000 0.00000 0.10000 0.46000 0.00000 -0.97000 0.00000 -1.78000 0.00000 2.38000 64.00000 HSE1_1SEM-19_20.PDB 5.85913 -8.32000 -1.06000 -6.15000 -10.76000 -2.92000 12.90000 -13.49000 1.09000 9.64000 5.49000 0.00000 0.00000 0.00000 0.11000 0.17000 0.00000 -1.05000 0.00000 -2.13000 0.00000 2.38000 64.00000 HSE1_1SEM-19_21.PDB 5.16902 -5.45000 -1.08000 -3.82000 -9.88000 -1.22000 10.25000 -13.36000 2.76000 6.69000 5.49000 0.00000 0.00000 0.00000 0.57000 0.17000 0.00000 -0.65000 0.00000 -1.19000 0.00000 2.38000 64.00000 HSE1_1SEM-19_22.PDB 6.70942 -7.50000 -0.05000 -7.20000 -9.99000 -2.79000 13.55000 -11.94000 0.61000 8.28000 5.51000 0.00000 0.00000 0.00000 0.24000 0.36000 0.00000 -1.32000 0.00000 -2.39000 0.00000 2.38000 64.00000 HSE1_1SEM-19_23.PDB 6.15831 -5.21000 -1.63000 -3.12000 -8.83000 -1.82000 10.90000 -10.57000 1.46000 4.01000 6.04000 0.00000 0.00000 0.00000 0.32000 0.31000 0.00000 -0.64000 0.00000 -1.33000 0.00000 2.38000 64.00000 HSE1_1SEM-19_24.PDB 5.90584 -7.79000 -0.23000 -4.30000 -10.59000 -3.41000 12.75000 -13.17000 0.50000 9.62000 4.56000 0.00000 0.00000 0.00000 0.19000 0.34000 0.00000 -1.12000 0.00000 -2.58000 0.00000 2.38000 64.00000 HSE1_1SEM-19_25.PDB 4.64615 -6.90000 -0.02000 -3.76000 -9.10000 -1.94000 10.92000 -11.56000 0.38000 5.95000 4.28000 0.00000 0.00000 0.00000 0.12000 0.21000 0.00000 -0.78000 0.00000 -1.41000 0.00000 2.38000 64.00000 HSE1_1SEM-19_26.PDB 6.55624 -8.03000 -1.20000 -6.28000 -10.46000 -3.53000 14.80000 -12.21000 1.10000 7.60000 5.93000 0.00000 0.00000 0.00000 0.12000 0.35000 0.00000 -1.19000 0.00000 -2.71000 0.00000 2.38000 64.00000 HSE1_1SEM-19_27.PDB 5.58056 -5.67000 -2.32000 -2.30000 -10.88000 -2.33000 13.32000 -13.24000 1.80000 6.64000 6.18000 0.00000 0.00000 0.00000 0.21000 0.40000 0.00000 -1.13000 0.00000 -1.62000 0.00000 2.38000 64.00000 HSE1_1SEM-19_28.PDB 6.49698 -7.61000 -2.26000 -4.88000 -10.32000 -1.75000 12.54000 -12.73000 0.89000 7.42000 5.85000 0.00000 0.00000 0.00000 0.68000 0.53000 0.00000 -1.54000 0.00000 -1.50000 0.00000 2.38000 64.00000 HSE1_1SEM-19_29.PDB 5.45783 -10.11000 -0.32000 -7.36000 -10.43000 -2.91000 12.57000 -13.13000 0.62000 9.40000 4.60000 0.00000 0.00000 0.00000 0.18000 0.24000 0.00000 -1.19000 0.00000 -2.15000 0.00000 2.38000 64.00000 HSE1_1SEM-19_30.PDB 6.08101 -7.89000 -1.06000 -6.02000 -10.08000 -1.03000 10.84000 -13.43000 0.95000 7.46000 5.58000 0.00000 0.00000 0.00000 0.49000 0.17000 0.00000 -0.65000 0.00000 -0.94000 0.00000 2.38000 64.00000