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-11_1.PDB 2.50467 -8.73000 -2.82000 -3.87000 -8.12000 -0.98000 9.09000 -9.68000 2.51000 3.61000 3.20000 0.00000 0.00000 0.00000 0.12000 0.77000 0.00000 -1.16000 0.00000 -0.63000 0.00000 2.38000 62.00000 HSE1_1SEM-11_2.PDB 2.89462 -7.68000 -2.84000 -4.46000 -7.80000 -1.16000 9.11000 -9.07000 2.88000 3.30000 3.58000 0.00000 0.00000 0.00000 0.18000 0.76000 0.00000 -0.82000 0.00000 -0.58000 0.00000 2.38000 62.00000 HSE1_1SEM-11_3.PDB 2.99093 -7.49000 -2.70000 -5.96000 -7.40000 -1.22000 8.79000 -8.74000 2.66000 4.33000 4.04000 0.00000 0.00000 0.00000 0.17000 0.80000 0.00000 -0.69000 0.00000 -0.77000 0.00000 2.38000 62.00000 HSE1_1SEM-11_4.PDB 2.16456 -8.25000 -1.88000 -5.10000 -7.00000 -0.81000 7.08000 -8.75000 2.54000 3.88000 2.79000 0.00000 0.00000 0.00000 0.07000 0.51000 0.00000 -0.41000 0.00000 -0.66000 0.00000 2.38000 62.00000 HSE1_1SEM-11_5.PDB 2.16332 -8.33000 -2.00000 -5.09000 -6.97000 -0.84000 7.09000 -8.66000 2.31000 3.82000 3.22000 0.00000 0.00000 0.00000 0.09000 0.35000 0.00000 -0.73000 0.00000 -0.58000 0.00000 2.38000 62.00000 HSE1_1SEM-11_6.PDB 2.67696 -8.77000 -2.68000 -6.81000 -8.21000 -1.76000 10.11000 -9.46000 2.42000 5.53000 3.84000 0.00000 0.00000 0.00000 0.15000 0.93000 0.00000 -0.86000 0.00000 -1.04000 0.00000 2.38000 62.00000 HSE1_1SEM-11_7.PDB 3.66040 -6.44000 -3.23000 -5.65000 -8.87000 -2.13000 12.71000 -9.44000 2.23000 5.09000 4.37000 0.00000 0.00000 0.00000 0.41000 1.18000 0.00000 -0.81000 0.00000 -1.11000 0.00000 2.38000 62.00000 HSE1_1SEM-11_8.PDB 2.30044 -8.38000 -1.17000 -5.71000 -7.71000 -2.22000 8.79000 -9.19000 3.31000 3.96000 2.96000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -0.51000 0.00000 -1.00000 0.00000 2.38000 62.00000 HSE1_1SEM-11_9.PDB 3.24173 -7.61000 -2.84000 -6.04000 -7.54000 -1.08000 9.11000 -8.84000 2.86000 4.24000 3.88000 0.00000 0.00000 0.00000 0.17000 0.84000 0.00000 -0.91000 0.00000 -0.62000 0.00000 2.38000 62.00000 HSE1_1SEM-11_10.PDB 2.48385 -8.06000 -2.83000 -4.50000 -7.64000 -1.36000 8.93000 -8.88000 2.30000 3.49000 3.85000 0.00000 0.00000 0.00000 0.22000 0.66000 0.00000 -0.78000 0.00000 -0.87000 0.00000 2.38000 62.00000 HSE1_1SEM-11_11.PDB 2.76344 -7.80000 -2.69000 -4.40000 -7.61000 -1.16000 8.57000 -9.01000 2.65000 3.36000 3.64000 0.00000 0.00000 0.00000 0.16000 0.51000 0.00000 -0.62000 0.00000 -0.68000 0.00000 2.38000 62.00000 HSE1_1SEM-11_12.PDB 2.48654 -8.21000 -2.68000 -4.09000 -7.77000 -1.01000 8.71000 -9.34000 2.49000 3.49000 3.56000 0.00000 0.00000 0.00000 0.14000 0.67000 0.00000 -1.06000 0.00000 -0.65000 0.00000 2.38000 62.00000 HSE1_1SEM-11_13.PDB 2.48396 -8.18000 -2.70000 -5.91000 -7.57000 -1.67000 9.21000 -8.90000 2.20000 4.57000 4.36000 0.00000 0.00000 0.00000 0.19000 0.76000 0.00000 -0.84000 0.00000 -1.14000 0.00000 2.38000 62.00000 HSE1_1SEM-11_14.PDB 2.53049 -9.29000 -1.18000 -7.40000 -7.76000 -2.28000 9.21000 -9.17000 2.53000 4.80000 3.39000 0.00000 0.00000 0.00000 0.10000 0.58000 0.00000 -0.46000 0.00000 -1.07000 0.00000 2.38000 62.00000 HSE1_1SEM-11_15.PDB 1.88597 -7.76000 -1.20000 -5.07000 -7.30000 -1.76000 8.27000 -8.90000 2.30000 4.52000 2.68000 0.00000 0.00000 0.00000 0.04000 0.76000 0.00000 -0.34000 0.00000 -1.01000 0.00000 2.38000 62.00000 HSE1_1SEM-11_16.PDB 2.33164 -7.91000 -2.69000 -7.56000 -7.16000 -0.70000 8.32000 -8.71000 2.38000 5.78000 3.62000 0.00000 0.00000 0.00000 0.14000 0.78000 0.00000 -0.87000 0.00000 -0.45000 0.00000 2.38000 62.00000 HSE1_1SEM-11_17.PDB 2.84309 -7.69000 -2.83000 -4.30000 -7.45000 -1.16000 8.42000 -8.82000 2.70000 3.30000 3.79000 0.00000 0.00000 0.00000 0.15000 0.55000 0.00000 -0.78000 0.00000 -0.71000 0.00000 2.38000 62.00000 HSE1_1SEM-11_18.PDB 3.36513 -7.02000 -3.20000 -6.52000 -8.58000 -2.35000 12.12000 -9.11000 2.28000 5.63000 4.41000 0.00000 0.00000 0.00000 0.39000 0.97000 0.00000 -0.88000 0.00000 -1.21000 0.00000 2.38000 62.00000 HSE1_1SEM-11_19.PDB 2.55639 -7.20000 -2.71000 -5.81000 -6.85000 -0.75000 8.23000 -8.30000 2.21000 4.16000 3.71000 0.00000 0.00000 0.00000 0.11000 0.58000 0.00000 -0.62000 0.00000 -0.56000 0.00000 2.38000 62.00000 HSE1_1SEM-11_20.PDB 2.54352 -8.20000 -2.89000 -6.03000 -7.21000 -1.33000 9.13000 -8.33000 2.44000 3.63000 4.12000 0.00000 0.00000 0.00000 0.17000 0.67000 0.00000 -1.15000 0.00000 -0.74000 0.00000 2.38000 62.00000 HSE1_1SEM-11_21.PDB 3.90904 -9.09000 -2.93000 -9.41000 -9.02000 -2.42000 13.47000 -9.63000 1.80000 6.72000 4.64000 0.00000 0.00000 0.00000 0.38000 1.10000 0.00000 -1.49000 0.00000 -1.19000 0.00000 2.38000 62.00000 HSE1_1SEM-11_22.PDB 2.50233 -8.07000 -2.90000 -5.93000 -6.71000 -0.95000 8.14000 -8.22000 2.19000 3.77000 4.14000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.96000 0.00000 -0.77000 0.00000 2.38000 62.00000 HSE1_1SEM-11_23.PDB 2.76232 -9.05000 -2.70000 -7.51000 -7.83000 -1.05000 9.31000 -9.29000 2.74000 5.13000 3.20000 0.00000 0.00000 0.00000 0.21000 0.71000 0.00000 -0.67000 0.00000 -0.60000 0.00000 2.38000 62.00000 HSE1_1SEM-11_24.PDB 2.96340 -8.13000 -2.81000 -5.89000 -7.36000 -1.32000 9.03000 -8.63000 2.45000 3.77000 4.38000 0.00000 0.00000 0.00000 0.21000 0.66000 0.00000 -1.15000 0.00000 -0.81000 0.00000 2.38000 62.00000 HSE1_1SEM-11_25.PDB 2.94149 -8.17000 -2.16000 -3.38000 -7.37000 -0.99000 8.07000 -9.06000 1.19000 3.46000 3.12000 0.00000 0.00000 0.00000 0.17000 0.90000 0.00000 -0.61000 0.00000 -0.62000 0.00000 2.38000 62.00000 HSE1_1SEM-11_26.PDB 2.96918 -8.44000 -2.69000 -6.96000 -8.72000 -2.73000 11.35000 -9.93000 2.32000 6.48000 4.63000 0.00000 0.00000 0.00000 0.22000 0.82000 0.00000 -0.82000 0.00000 -1.58000 0.00000 2.38000 62.00000 HSE1_1SEM-11_27.PDB 2.90341 -8.64000 -2.90000 -6.15000 -7.73000 -1.35000 9.57000 -8.93000 2.70000 3.72000 3.83000 0.00000 0.00000 0.00000 0.19000 0.83000 0.00000 -0.94000 0.00000 -0.66000 0.00000 2.38000 62.00000 HSE1_1SEM-11_28.PDB 3.54495 -7.74000 -3.17000 -7.31000 -8.61000 -2.68000 12.35000 -9.19000 2.19000 6.45000 4.59000 0.00000 0.00000 0.00000 0.35000 0.89000 0.00000 -1.12000 0.00000 -1.60000 0.00000 2.38000 62.00000 HSE1_1SEM-11_29.PDB 3.47134 -8.51000 -2.65000 -5.92000 -7.89000 -2.25000 10.73000 -8.88000 1.94000 4.75000 3.68000 0.00000 0.00000 0.00000 0.24000 0.79000 0.00000 -1.05000 0.00000 -1.21000 0.00000 2.38000 62.00000 HSE1_1SEM-11_30.PDB 2.67623 -7.85000 -2.77000 -5.84000 -7.57000 -1.22000 8.92000 -8.95000 2.44000 4.41000 4.28000 0.00000 0.00000 0.00000 0.17000 0.90000 0.00000 -0.87000 0.00000 -0.85000 0.00000 2.38000 62.00000