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-5_1.PDB 6.22788 -2.59000 -1.40000 -2.46000 -10.50000 -0.76000 9.15000 -14.72000 10.31000 5.18000 2.69000 0.00000 0.00000 0.00000 0.45000 1.18000 0.00000 -0.37000 0.00000 -0.16000 0.00000 2.38000 65.00000 HSE1_1SEM-5_2.PDB 4.48892 1.15000 -1.36000 -1.50000 -11.15000 -0.88000 10.77000 -15.12000 13.11000 4.48000 3.10000 0.00000 0.00000 0.00000 0.53000 1.09000 0.00000 -0.65000 0.00000 -0.16000 0.00000 2.38000 65.00000 HSE1_1SEM-5_3.PDB 6.43203 -1.88000 -1.62000 -1.70000 -11.15000 -0.81000 9.28000 -15.63000 11.75000 4.95000 2.90000 0.00000 0.00000 0.00000 0.56000 1.24000 0.00000 -0.33000 0.00000 -0.07000 0.00000 2.38000 65.00000 HSE1_1SEM-5_4.PDB 5.70127 1.36000 -1.75000 -3.04000 -12.11000 -1.04000 12.18000 -16.69000 14.47000 5.81000 3.64000 0.00000 0.00000 0.00000 0.83000 1.27000 0.00000 -0.76000 0.00000 -0.18000 0.00000 2.38000 65.00000 HSE1_1SEM-5_5.PDB 6.08456 -3.72000 -0.51000 -3.25000 -10.33000 -0.82000 9.16000 -14.74000 7.82000 5.91000 3.48000 0.00000 0.00000 0.00000 0.41000 1.16000 0.00000 -0.76000 0.00000 -0.10000 0.00000 2.38000 65.00000 HSE1_1SEM-5_6.PDB 4.89970 -8.76000 -1.41000 -1.55000 -11.25000 -0.69000 9.12000 -16.03000 5.33000 4.80000 3.24000 0.00000 0.00000 0.00000 0.54000 1.25000 0.00000 -0.72000 0.00000 -0.14000 0.00000 2.38000 65.00000 HSE1_1SEM-5_7.PDB 5.93673 -6.27000 -0.95000 -1.08000 -11.37000 -0.61000 9.13000 -16.24000 6.24000 5.17000 3.31000 0.00000 0.00000 0.00000 0.88000 1.18000 0.00000 -0.63000 0.00000 -0.12000 0.00000 2.38000 65.00000 HSE1_1SEM-5_8.PDB 5.12502 -6.27000 -0.54000 -0.59000 -10.88000 -0.72000 8.34000 -15.52000 5.58000 4.90000 3.12000 0.00000 0.00000 0.00000 0.49000 1.19000 0.00000 -0.41000 0.00000 -0.03000 0.00000 2.38000 65.00000 HSE1_1SEM-5_9.PDB 4.74219 -8.15000 -2.91000 -2.97000 -10.62000 -1.27000 9.87000 -14.50000 5.62000 5.74000 3.36000 0.00000 0.00000 0.00000 0.50000 1.13000 0.00000 -0.45000 0.00000 -0.54000 0.00000 2.38000 65.00000 HSE1_1SEM-5_10.PDB 4.23167 -4.26000 -2.23000 -2.30000 -11.43000 -0.94000 11.60000 -15.45000 8.00000 5.76000 2.84000 0.00000 0.00000 0.00000 0.69000 1.44000 0.00000 -0.64000 0.00000 -0.15000 0.00000 2.38000 65.00000 HSE1_1SEM-5_11.PDB 6.19332 -6.37000 -2.01000 -2.03000 -10.00000 -1.17000 8.90000 -13.69000 5.08000 5.55000 3.54000 0.00000 0.00000 0.00000 0.47000 1.19000 0.00000 -0.50000 0.00000 -0.50000 0.00000 2.38000 65.00000 HSE1_1SEM-5_12.PDB 5.08049 -5.25000 -1.32000 -1.46000 -9.62000 -0.90000 9.08000 -13.20000 5.85000 4.02000 2.57000 0.00000 0.00000 0.00000 0.52000 0.99000 0.00000 -0.63000 0.00000 -0.17000 0.00000 2.38000 65.00000 HSE1_1SEM-5_13.PDB 5.15610 -2.42000 -1.43000 -1.54000 -11.64000 -0.71000 9.48000 -16.45000 11.74000 5.16000 3.06000 0.00000 0.00000 0.00000 0.49000 1.32000 0.00000 -0.51000 0.00000 -0.07000 0.00000 2.38000 65.00000 HSE1_1SEM-5_14.PDB 6.29908 1.16000 -1.76000 -1.86000 -12.26000 -0.69000 11.03000 -17.26000 15.34000 5.48000 3.26000 0.00000 0.00000 0.00000 0.88000 1.22000 0.00000 -0.80000 0.00000 -0.19000 0.00000 2.38000 65.00000 HSE1_1SEM-5_15.PDB 5.71685 -2.52000 -2.21000 -2.33000 -11.69000 -2.08000 11.48000 -15.19000 11.26000 5.58000 3.29000 0.00000 0.00000 0.00000 0.55000 1.29000 0.00000 -0.44000 0.00000 -0.72000 0.00000 2.38000 65.00000 HSE1_1SEM-5_16.PDB 4.83779 -8.71000 -1.40000 -2.09000 -10.61000 -1.76000 10.21000 -14.42000 4.01000 5.43000 2.96000 0.00000 0.00000 0.00000 0.46000 1.09000 0.00000 -0.57000 0.00000 -0.94000 0.00000 2.38000 65.00000 HSE1_1SEM-5_17.PDB 4.98019 -1.00000 -0.53000 -0.67000 -11.78000 -0.63000 9.68000 -16.77000 12.48000 4.48000 2.85000 0.00000 0.00000 0.00000 0.61000 1.25000 0.00000 -0.61000 0.00000 -0.12000 0.00000 2.38000 65.00000 HSE1_1SEM-5_18.PDB 5.83513 -6.82000 -2.18000 -2.23000 -10.74000 -0.93000 9.77000 -14.99000 7.29000 4.54000 2.51000 0.00000 0.00000 0.00000 1.00000 1.10000 0.00000 -0.72000 0.00000 -0.15000 0.00000 2.38000 65.00000 HSE1_1SEM-5_19.PDB 6.18127 -6.27000 -2.55000 -2.71000 -10.41000 -1.76000 9.79000 -13.71000 5.86000 5.88000 4.41000 0.00000 0.00000 0.00000 0.52000 1.06000 0.00000 -0.94000 0.00000 -0.65000 0.00000 2.38000 65.00000 HSE1_1SEM-5_20.PDB 5.16227 -0.70000 -0.54000 -1.49000 -10.79000 -1.70000 10.40000 -14.51000 10.86000 5.10000 2.96000 0.00000 0.00000 0.00000 0.48000 1.05000 0.00000 -0.50000 0.00000 -0.96000 0.00000 2.38000 65.00000 HSE1_1SEM-5_21.PDB 5.71558 -4.14000 -0.93000 -1.02000 -10.41000 -0.73000 9.13000 -14.49000 6.13000 5.10000 2.77000 0.00000 0.00000 0.00000 0.86000 1.06000 0.00000 -0.45000 0.00000 -0.09000 0.00000 2.38000 65.00000 HSE1_1SEM-5_22.PDB 4.69677 -7.44000 -2.02000 -2.04000 -10.64000 -1.22000 9.29000 -14.71000 5.05000 5.80000 3.49000 0.00000 0.00000 0.00000 0.49000 1.26000 0.00000 -0.44000 0.00000 -0.51000 0.00000 2.38000 65.00000 HSE1_1SEM-5_23.PDB 5.08423 -6.02000 -1.21000 -1.35000 -10.28000 -0.88000 9.39000 -14.39000 6.09000 4.38000 2.58000 0.00000 0.00000 0.00000 0.59000 1.22000 0.00000 -0.76000 0.00000 -0.17000 0.00000 2.38000 65.00000 HSE1_1SEM-5_24.PDB 7.54410 -2.46000 -1.53000 -2.08000 -12.19000 -2.10000 11.86000 -16.58000 11.36000 5.96000 3.28000 0.00000 0.00000 0.00000 0.98000 1.26000 0.00000 -0.54000 0.00000 -0.89000 0.00000 2.38000 65.00000 HSE1_1SEM-5_25.PDB 5.56632 -6.69000 -0.97000 -3.11000 -10.65000 -1.65000 10.38000 -14.53000 5.21000 5.80000 3.36000 0.00000 0.00000 0.00000 0.69000 1.11000 0.00000 -0.36000 0.00000 -0.87000 0.00000 2.38000 65.00000 HSE1_1SEM-5_26.PDB 5.25465 -0.79000 -1.34000 -1.47000 -12.03000 -0.78000 10.37000 -17.04000 13.63000 5.01000 3.17000 0.00000 0.00000 0.00000 0.54000 1.36000 0.00000 -0.65000 0.00000 -0.20000 0.00000 2.38000 65.00000 HSE1_1SEM-5_27.PDB 5.11939 -4.94000 -2.20000 -2.31000 -11.72000 -0.74000 11.15000 -16.21000 8.27000 5.91000 2.95000 0.00000 0.00000 0.00000 0.74000 1.42000 0.00000 -0.63000 0.00000 -0.15000 0.00000 2.38000 65.00000 HSE1_1SEM-5_28.PDB 5.08286 -5.48000 -1.31000 -1.47000 -10.15000 -0.67000 9.00000 -14.22000 6.30000 4.08000 3.17000 0.00000 0.00000 0.00000 0.60000 1.11000 0.00000 -0.63000 0.00000 -0.17000 0.00000 2.38000 65.00000 HSE1_1SEM-5_29.PDB 5.93994 -7.64000 -0.52000 -1.56000 -11.07000 -2.09000 10.33000 -15.30000 4.27000 5.94000 3.20000 0.00000 0.00000 0.00000 0.49000 1.22000 0.00000 -0.38000 0.00000 -0.95000 0.00000 2.38000 65.00000 HSE1_1SEM-5_30.PDB 4.98376 -1.03000 -2.11000 -3.69000 -11.21000 -1.25000 10.40000 -15.49000 13.98000 6.02000 3.14000 0.00000 0.00000 0.00000 0.48000 1.35000 0.00000 -0.72000 0.00000 -0.56000 0.00000 2.38000 65.00000