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-1_1.PDB 5.84742 -12.00000 -3.03000 -3.39000 -11.61000 -3.72000 13.19000 -14.97000 4.09000 6.66000 4.30000 0.00000 0.00000 0.00000 0.87000 0.72000 0.00000 -1.75000 0.00000 -2.63000 0.00000 2.38000 65.00000 HSE1_1SEM-1_2.PDB 6.84669 -11.97000 -2.94000 -3.73000 -11.61000 -3.99000 13.47000 -14.68000 3.27000 6.31000 4.98000 0.00000 0.00000 0.00000 0.85000 0.85000 0.00000 -0.97000 0.00000 -2.93000 0.00000 2.38000 65.00000 HSE1_1SEM-1_3.PDB 6.77355 -12.83000 -3.34000 -6.43000 -11.99000 -3.79000 15.16000 -14.48000 3.44000 7.65000 4.38000 0.00000 0.00000 0.00000 0.91000 0.76000 0.00000 -1.65000 0.00000 -2.70000 0.00000 2.38000 65.00000 HSE1_1SEM-1_4.PDB 5.62737 -10.76000 -2.49000 -4.20000 -11.17000 -3.97000 13.25000 -14.07000 4.27000 6.75000 3.76000 0.00000 0.00000 0.00000 0.85000 0.71000 0.00000 -0.81000 0.00000 -2.92000 0.00000 2.38000 65.00000 HSE1_1SEM-1_5.PDB 6.34588 -11.76000 -3.35000 -6.15000 -12.08000 -3.74000 15.15000 -14.37000 3.50000 7.44000 4.41000 0.00000 0.00000 0.00000 0.92000 0.93000 0.00000 -0.82000 0.00000 -2.67000 0.00000 2.38000 65.00000 HSE1_1SEM-1_6.PDB 6.51868 -11.76000 -1.81000 -5.37000 -10.64000 -3.13000 11.58000 -13.83000 3.04000 6.77000 4.11000 0.00000 0.00000 0.00000 0.84000 0.65000 0.00000 -0.78000 0.00000 -2.54000 0.00000 2.38000 65.00000 HSE1_1SEM-1_7.PDB 6.09516 -12.19000 -3.01000 -3.30000 -12.03000 -4.03000 13.94000 -15.35000 4.09000 6.40000 4.44000 0.00000 0.00000 0.00000 0.91000 0.84000 0.00000 -1.45000 0.00000 -2.82000 0.00000 2.38000 65.00000 HSE1_1SEM-1_8.PDB 7.01267 -11.42000 -2.86000 -4.72000 -11.36000 -4.36000 14.34000 -13.76000 3.59000 7.60000 3.84000 0.00000 0.00000 0.00000 0.83000 0.76000 0.00000 -1.33000 0.00000 -3.24000 0.00000 2.38000 65.00000 HSE1_1SEM-1_9.PDB 6.71657 -12.45000 -3.11000 -5.92000 -12.06000 -3.72000 14.21000 -14.69000 4.08000 7.43000 4.46000 0.00000 0.00000 0.00000 0.90000 0.72000 0.00000 -1.30000 0.00000 -2.74000 0.00000 2.38000 65.00000 HSE1_1SEM-1_10.PDB 6.71232 -12.00000 -2.99000 -3.09000 -11.56000 -3.62000 13.06000 -14.81000 3.50000 5.92000 4.38000 0.00000 0.00000 0.00000 0.79000 0.84000 0.00000 -1.06000 0.00000 -2.52000 0.00000 2.38000 65.00000 HSE1_1SEM-1_11.PDB 7.03891 -12.35000 -1.78000 -5.37000 -10.21000 -2.94000 11.12000 -13.50000 2.73000 6.37000 3.52000 0.00000 0.00000 0.00000 0.73000 0.54000 0.00000 -0.75000 0.00000 -2.26000 0.00000 2.38000 65.00000 HSE1_1SEM-1_12.PDB 6.47564 -11.20000 -2.73000 -2.63000 -10.76000 -4.27000 13.30000 -13.33000 3.14000 6.72000 3.51000 0.00000 0.00000 0.00000 0.84000 0.84000 0.00000 -1.98000 0.00000 -3.01000 0.00000 2.38000 65.00000 HSE1_1SEM-1_13.PDB 6.98611 -10.72000 -3.02000 -5.23000 -12.11000 -3.63000 15.12000 -14.39000 3.41000 7.25000 4.99000 0.00000 0.00000 0.00000 0.97000 0.80000 0.00000 -1.38000 0.00000 -2.69000 0.00000 2.38000 65.00000 HSE1_1SEM-1_14.PDB 7.83524 -11.91000 -3.34000 -5.03000 -13.05000 -3.89000 15.09000 -15.93000 5.38000 7.28000 4.20000 0.00000 0.00000 0.00000 0.94000 1.41000 0.00000 -0.83000 0.00000 -2.74000 0.00000 2.38000 65.00000 HSE1_1SEM-1_15.PDB 6.42134 -12.20000 -3.33000 -6.15000 -12.12000 -4.08000 15.11000 -14.46000 3.48000 7.54000 4.97000 0.00000 0.00000 0.00000 0.94000 0.74000 0.00000 -1.23000 0.00000 -2.86000 0.00000 2.38000 65.00000 HSE1_1SEM-1_16.PDB 6.86884 -12.00000 -2.41000 -5.18000 -11.34000 -4.09000 14.25000 -13.82000 3.14000 7.04000 3.83000 0.00000 0.00000 0.00000 0.85000 0.74000 0.00000 -1.46000 0.00000 -2.81000 0.00000 2.38000 65.00000 HSE1_1SEM-1_17.PDB 6.77871 -10.48000 -1.13000 -4.31000 -9.64000 -3.30000 10.66000 -12.90000 3.20000 6.38000 3.52000 0.00000 0.00000 0.00000 0.77000 0.54000 0.00000 -1.20000 0.00000 -2.53000 0.00000 2.38000 65.00000 HSE1_1SEM-1_18.PDB 6.30538 -12.66000 -3.00000 -3.37000 -11.56000 -3.91000 13.51000 -14.57000 3.01000 6.10000 5.03000 0.00000 0.00000 0.00000 0.88000 0.80000 0.00000 -1.95000 0.00000 -2.84000 0.00000 2.38000 65.00000 HSE1_1SEM-1_19.PDB 7.27706 -11.27000 -3.26000 -4.90000 -12.49000 -3.90000 14.31000 -15.51000 5.40000 7.55000 4.20000 0.00000 0.00000 0.00000 0.82000 1.39000 0.00000 -0.59000 0.00000 -2.89000 0.00000 2.38000 65.00000 HSE1_1SEM-1_20.PDB 7.15897 -10.52000 -3.05000 -6.72000 -11.87000 -3.68000 15.36000 -13.78000 3.66000 7.48000 5.10000 0.00000 0.00000 0.00000 0.80000 0.78000 0.00000 -1.18000 0.00000 -2.65000 0.00000 2.38000 65.00000 HSE1_1SEM-1_21.PDB 6.94750 -11.14000 -3.35000 -6.07000 -11.68000 -3.67000 14.51000 -14.14000 3.56000 7.75000 4.74000 0.00000 0.00000 0.00000 0.84000 0.77000 0.00000 -1.11000 0.00000 -2.52000 0.00000 2.38000 65.00000 HSE1_1SEM-1_22.PDB 6.43739 -12.08000 -3.16000 -3.60000 -11.65000 -4.42000 14.53000 -14.29000 3.29000 7.50000 3.56000 0.00000 0.00000 0.00000 0.86000 0.79000 0.00000 -1.62000 0.00000 -3.08000 0.00000 2.38000 65.00000 HSE1_1SEM-1_23.PDB 6.19520 -10.72000 -1.39000 -2.63000 -10.24000 -3.02000 11.15000 -13.57000 2.96000 4.34000 4.01000 0.00000 0.00000 0.00000 0.69000 0.82000 0.00000 -1.05000 0.00000 -1.97000 0.00000 2.38000 65.00000 HSE1_1SEM-1_24.PDB 6.48262 -10.87000 -3.00000 -5.24000 -11.82000 -3.84000 15.07000 -14.13000 2.62000 6.96000 5.11000 0.00000 0.00000 0.00000 0.89000 0.73000 0.00000 -0.72000 0.00000 -2.77000 0.00000 2.38000 65.00000 HSE1_1SEM-1_25.PDB 6.15140 -12.54000 -3.01000 -3.29000 -11.29000 -3.61000 12.67000 -14.49000 3.03000 6.66000 4.14000 0.00000 0.00000 0.00000 0.85000 0.73000 0.00000 -1.45000 0.00000 -2.75000 0.00000 2.38000 65.00000 HSE1_1SEM-1_26.PDB 6.64849 -11.76000 -1.79000 -4.77000 -10.78000 -3.15000 12.10000 -13.96000 3.15000 6.06000 3.60000 0.00000 0.00000 0.00000 0.77000 0.58000 0.00000 -0.72000 0.00000 -2.25000 0.00000 2.38000 65.00000 HSE1_1SEM-1_27.PDB 5.04824 -9.47000 -3.01000 -3.30000 -11.95000 -3.90000 13.97000 -14.90000 6.16000 6.23000 4.91000 0.00000 0.00000 0.00000 0.42000 0.87000 0.00000 -1.41000 0.00000 -2.71000 0.00000 2.38000 65.00000 HSE1_1SEM-1_28.PDB 6.64923 -13.36000 -3.35000 -5.64000 -13.29000 -3.83000 15.94000 -16.35000 0.86000 9.56000 5.44000 0.00000 0.00000 0.00000 1.48000 0.82000 0.00000 -1.10000 0.00000 -3.08000 0.00000 2.38000 65.00000 HSE1_1SEM-1_29.PDB 6.43849 -12.10000 -2.65000 -4.75000 -11.38000 -3.99000 13.43000 -14.50000 3.15000 7.23000 4.04000 0.00000 0.00000 0.00000 0.81000 0.83000 0.00000 -0.63000 0.00000 -2.86000 0.00000 2.38000 65.00000 HSE1_1SEM-1_30.PDB 6.64372 -11.10000 -2.47000 -4.06000 -11.15000 -3.76000 13.11000 -13.86000 2.89000 6.96000 3.72000 0.00000 0.00000 0.00000 0.86000 0.71000 0.00000 -0.53000 0.00000 -2.83000 0.00000 2.38000 65.00000