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-15_1.PDB 3.32002 -11.76000 -1.78000 -5.06000 -9.60000 -4.09000 12.44000 -12.15000 0.35000 6.53000 4.39000 0.00000 0.00000 0.00000 0.08000 0.71000 0.00000 -0.56000 0.00000 -2.32000 0.00000 2.38000 64.00000 HSE1_1SEM-15_2.PDB 4.55144 -13.28000 -1.76000 -4.66000 -9.62000 -3.66000 11.14000 -12.31000 0.36000 5.90000 3.51000 0.00000 0.00000 0.00000 0.39000 0.74000 0.00000 -0.66000 0.00000 -1.90000 0.00000 2.38000 64.00000 HSE1_1SEM-15_3.PDB 3.59773 -12.57000 -1.81000 -5.05000 -10.52000 -4.70000 14.24000 -12.79000 0.86000 6.28000 3.88000 0.00000 0.00000 0.00000 0.12000 0.86000 0.00000 -0.51000 0.00000 -2.57000 0.00000 2.38000 64.00000 HSE1_1SEM-15_4.PDB 2.54156 -10.91000 -0.92000 -4.24000 -8.72000 -2.77000 10.47000 -11.19000 0.50000 5.01000 3.50000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -0.93000 0.00000 -1.75000 0.00000 2.38000 64.00000 HSE1_1SEM-15_5.PDB 3.11952 -12.29000 -1.79000 -5.10000 -10.10000 -4.51000 13.29000 -12.66000 0.16000 6.87000 4.39000 0.00000 0.00000 0.00000 0.14000 0.73000 0.00000 -0.53000 0.00000 -2.47000 0.00000 2.38000 64.00000 HSE1_1SEM-15_6.PDB 3.36007 -10.62000 -1.61000 -4.60000 -9.99000 -4.48000 13.63000 -12.26000 0.63000 6.53000 4.48000 0.00000 0.00000 0.00000 0.14000 0.70000 0.00000 -0.59000 0.00000 -2.50000 0.00000 2.38000 64.00000 HSE1_1SEM-15_7.PDB 4.33456 -8.77000 -0.81000 -3.32000 -7.72000 -1.81000 8.94000 -10.54000 0.44000 4.53000 2.92000 0.00000 0.00000 0.00000 0.22000 0.61000 0.00000 -0.29000 0.00000 -1.33000 0.00000 2.38000 64.00000 HSE1_1SEM-15_8.PDB 3.78395 -9.27000 -0.96000 -3.48000 -7.97000 -1.73000 9.02000 -10.98000 0.25000 4.72000 3.13000 0.00000 0.00000 0.00000 0.29000 0.47000 0.00000 -0.30000 0.00000 -1.27000 0.00000 2.38000 64.00000 HSE1_1SEM-15_9.PDB 3.12505 -9.64000 -0.95000 -2.96000 -8.91000 -2.53000 10.80000 -11.73000 0.67000 4.96000 3.09000 0.00000 0.00000 0.00000 0.07000 0.66000 0.00000 -0.41000 0.00000 -1.73000 0.00000 2.38000 64.00000 HSE1_1SEM-15_10.PDB 4.12669 -14.03000 -3.24000 -8.36000 -11.07000 -5.40000 16.62000 -11.97000 0.27000 7.90000 4.41000 0.00000 0.00000 0.00000 0.29000 1.09000 0.00000 -0.53000 0.00000 -2.96000 0.00000 2.38000 64.00000 HSE1_1SEM-15_11.PDB 5.11518 -12.34000 -3.74000 -7.84000 -10.79000 -3.50000 14.46000 -12.28000 1.92000 7.27000 4.04000 0.00000 0.00000 0.00000 0.67000 0.79000 0.00000 -0.49000 0.00000 -2.07000 0.00000 2.38000 64.00000 HSE1_1SEM-15_12.PDB 2.78966 -9.13000 -0.97000 -3.04000 -8.74000 -2.30000 10.81000 -11.54000 0.51000 4.90000 3.32000 0.00000 0.00000 0.00000 0.10000 0.57000 0.00000 -0.46000 0.00000 -1.73000 0.00000 2.38000 64.00000 HSE1_1SEM-15_13.PDB 3.14080 -11.19000 -1.89000 -4.25000 -9.20000 -3.25000 11.54000 -11.78000 0.47000 6.72000 3.81000 0.00000 0.00000 0.00000 0.10000 0.63000 0.00000 -1.17000 0.00000 -2.29000 0.00000 2.38000 64.00000 HSE1_1SEM-15_14.PDB 4.84843 -11.66000 -2.75000 -3.68000 -9.51000 -3.70000 11.54000 -11.80000 0.53000 6.39000 3.74000 0.00000 0.00000 0.00000 0.38000 0.69000 0.00000 -0.74000 0.00000 -2.06000 0.00000 2.38000 64.00000 HSE1_1SEM-15_15.PDB 4.22458 -12.97000 -3.37000 -8.38000 -11.62000 -5.18000 17.72000 -12.40000 0.54000 8.05000 4.93000 0.00000 0.00000 0.00000 0.24000 1.02000 0.00000 -0.53000 0.00000 -2.98000 0.00000 2.38000 64.00000 HSE1_1SEM-15_16.PDB 3.22031 -9.67000 -0.97000 -3.18000 -8.06000 -1.75000 9.15000 -11.11000 0.26000 4.34000 3.00000 0.00000 0.00000 0.00000 0.18000 0.51000 0.00000 -0.28000 0.00000 -1.25000 0.00000 2.38000 64.00000 HSE1_1SEM-15_17.PDB 3.80597 -13.12000 -3.35000 -8.34000 -11.25000 -4.95000 16.71000 -12.19000 0.61000 8.16000 4.67000 0.00000 0.00000 0.00000 0.23000 1.02000 0.00000 -0.45000 0.00000 -2.96000 0.00000 2.38000 64.00000 HSE1_1SEM-15_18.PDB 3.25409 -10.73000 -1.87000 -3.73000 -9.36000 -3.33000 11.74000 -11.72000 0.51000 6.43000 3.92000 0.00000 0.00000 0.00000 0.16000 0.67000 0.00000 -1.17000 0.00000 -2.30000 0.00000 2.38000 64.00000 HSE1_1SEM-15_19.PDB 4.15239 -11.41000 -2.34000 -4.96000 -9.70000 -4.12000 13.20000 -11.90000 0.61000 6.40000 4.40000 0.00000 0.00000 0.00000 0.22000 0.70000 0.00000 -0.71000 0.00000 -2.52000 0.00000 2.38000 64.00000 HSE1_1SEM-15_20.PDB 4.11429 -11.84000 -1.73000 -5.08000 -9.53000 -3.53000 11.87000 -12.02000 0.53000 6.54000 3.76000 0.00000 0.00000 0.00000 0.12000 0.55000 0.00000 -0.66000 0.00000 -2.11000 0.00000 2.38000 64.00000 HSE1_1SEM-15_21.PDB 3.01151 -8.83000 -0.95000 -3.87000 -7.94000 -1.98000 9.75000 -10.49000 0.42000 4.76000 3.05000 0.00000 0.00000 0.00000 0.09000 0.58000 0.00000 -0.26000 0.00000 -1.42000 0.00000 2.38000 64.00000 HSE1_1SEM-15_22.PDB 3.90877 -11.24000 -1.80000 -4.91000 -9.77000 -4.14000 12.91000 -12.19000 0.16000 6.54000 4.58000 0.00000 0.00000 0.00000 0.17000 0.60000 0.00000 -0.47000 0.00000 -2.31000 0.00000 2.38000 64.00000 HSE1_1SEM-15_23.PDB 4.46270 -12.68000 -2.57000 -6.47000 -10.11000 -3.77000 12.92000 -11.72000 0.40000 7.11000 4.06000 0.00000 0.00000 0.00000 0.27000 0.86000 0.00000 -0.61000 0.00000 -2.19000 0.00000 2.38000 64.00000 HSE1_1SEM-15_24.PDB 4.06373 -12.33000 -1.88000 -5.96000 -9.99000 -4.34000 13.06000 -12.51000 0.31000 7.02000 4.48000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -0.41000 0.00000 -2.24000 0.00000 2.38000 64.00000 HSE1_1SEM-15_25.PDB 3.51727 -11.81000 -1.77000 -4.68000 -9.63000 -3.60000 11.90000 -12.21000 0.14000 5.90000 4.34000 0.00000 0.00000 0.00000 0.12000 0.72000 0.00000 -0.51000 0.00000 -1.79000 0.00000 2.38000 64.00000 HSE1_1SEM-15_26.PDB 3.76802 -12.85000 -1.83000 -4.56000 -9.66000 -3.73000 11.55000 -12.24000 0.36000 5.85000 3.55000 0.00000 0.00000 0.00000 0.12000 0.67000 0.00000 -0.32000 0.00000 -1.94000 0.00000 2.38000 64.00000 HSE1_1SEM-15_27.PDB 4.47932 -11.16000 -2.59000 -4.85000 -9.83000 -4.62000 13.34000 -12.05000 0.46000 7.78000 4.55000 0.00000 0.00000 0.00000 0.15000 0.70000 0.00000 -0.85000 0.00000 -2.66000 0.00000 2.38000 64.00000 HSE1_1SEM-15_28.PDB 4.10411 -11.58000 -1.73000 -4.78000 -9.31000 -3.73000 11.56000 -11.87000 0.22000 5.87000 4.22000 0.00000 0.00000 0.00000 0.33000 0.68000 0.00000 -0.42000 0.00000 -1.93000 0.00000 2.38000 64.00000 HSE1_1SEM-15_29.PDB 2.98103 -11.65000 -0.97000 -4.41000 -8.59000 -2.78000 9.92000 -11.36000 0.22000 5.05000 3.48000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.53000 0.00000 -1.77000 0.00000 2.38000 64.00000 HSE1_1SEM-15_30.PDB 3.56761 -11.43000 -0.96000 -4.28000 -8.57000 -2.56000 9.75000 -11.41000 0.13000 5.13000 3.42000 0.00000 0.00000 0.00000 0.31000 0.60000 0.00000 -0.81000 0.00000 -1.59000 0.00000 2.38000 64.00000