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-27_1.PDB 6.31401 -10.20000 -2.44000 -5.81000 -10.10000 -5.20000 14.50000 -10.70000 1.68000 8.46000 4.38000 0.00000 0.00000 0.00000 0.41000 1.27000 0.00000 -1.30000 0.00000 -4.08000 0.00000 2.38000 64.00000 HSE1_1SEM-27_2.PDB 6.58994 -9.90000 -1.70000 -5.62000 -10.14000 -5.04000 14.55000 -10.82000 1.76000 8.62000 3.33000 0.00000 0.00000 0.00000 0.43000 1.22000 0.00000 -1.44000 0.00000 -3.83000 0.00000 2.38000 64.00000 HSE1_1SEM-27_3.PDB 7.41167 -7.45000 -2.19000 -6.18000 -9.58000 -4.00000 13.51000 -10.44000 2.73000 8.55000 4.00000 0.00000 0.00000 0.00000 0.69000 1.29000 0.00000 -1.24000 0.00000 -3.32000 0.00000 2.38000 64.00000 HSE1_1SEM-27_4.PDB 7.49853 -10.60000 -3.04000 -5.95000 -10.26000 -4.84000 14.86000 -10.97000 1.48000 8.65000 4.60000 0.00000 0.00000 0.00000 0.49000 1.42000 0.00000 -1.70000 0.00000 -3.91000 0.00000 2.38000 64.00000 HSE1_1SEM-27_5.PDB 6.08254 -9.18000 -2.52000 -5.40000 -9.82000 -4.21000 13.50000 -10.60000 2.13000 8.18000 3.80000 0.00000 0.00000 0.00000 0.54000 1.28000 0.00000 -1.29000 0.00000 -3.50000 0.00000 2.38000 64.00000 HSE1_1SEM-27_6.PDB 6.87285 -7.44000 -3.96000 -6.82000 -10.87000 -4.61000 15.73000 -11.49000 4.74000 9.34000 5.00000 0.00000 0.00000 0.00000 0.65000 1.42000 0.00000 -1.62000 0.00000 -3.55000 0.00000 2.38000 64.00000 HSE1_1SEM-27_7.PDB 6.40521 -8.70000 -1.67000 -3.27000 -8.82000 -2.85000 11.71000 -9.95000 1.02000 5.60000 2.72000 0.00000 0.00000 0.00000 0.52000 1.16000 0.00000 -1.04000 0.00000 -2.67000 0.00000 2.38000 64.00000 HSE1_1SEM-27_8.PDB 7.14058 -7.95000 -2.17000 -5.81000 -8.56000 -3.22000 12.08000 -9.38000 2.76000 6.62000 3.10000 0.00000 0.00000 0.00000 0.48000 1.24000 0.00000 -0.93000 0.00000 -2.91000 0.00000 2.38000 64.00000 HSE1_1SEM-27_9.PDB 7.84779 -9.51000 -2.55000 -5.76000 -9.20000 -3.96000 13.13000 -9.83000 1.75000 7.54000 3.37000 0.00000 0.00000 0.00000 0.62000 1.31000 0.00000 -1.26000 0.00000 -3.36000 0.00000 2.38000 64.00000 HSE1_1SEM-27_10.PDB 6.79033 -10.62000 -2.45000 -5.53000 -10.34000 -5.30000 14.86000 -10.92000 1.81000 8.51000 4.28000 0.00000 0.00000 0.00000 0.37000 1.41000 0.00000 -1.87000 0.00000 -4.04000 0.00000 2.38000 64.00000 HSE1_1SEM-27_11.PDB 7.07704 -7.79000 -1.69000 -4.44000 -8.94000 -3.09000 11.65000 -10.18000 1.90000 6.73000 3.70000 0.00000 0.00000 0.00000 0.39000 1.20000 0.00000 -1.03000 0.00000 -2.79000 0.00000 2.38000 64.00000 HSE1_1SEM-27_12.PDB 7.23835 -9.18000 -2.96000 -4.42000 -9.33000 -3.97000 13.28000 -10.00000 0.98000 7.71000 3.63000 0.00000 0.00000 0.00000 0.54000 1.26000 0.00000 -1.22000 0.00000 -3.42000 0.00000 2.38000 64.00000 HSE1_1SEM-27_13.PDB 5.84379 -5.52000 -2.47000 -3.16000 -8.99000 -2.50000 11.14000 -10.50000 4.43000 6.25000 3.04000 0.00000 0.00000 0.00000 0.56000 1.27000 0.00000 -0.85000 0.00000 -2.47000 0.00000 2.38000 64.00000 HSE1_1SEM-27_14.PDB 6.76573 -8.23000 -4.17000 -7.03000 -11.10000 -5.08000 15.83000 -11.63000 5.28000 8.79000 5.14000 0.00000 0.00000 0.00000 0.71000 1.47000 0.00000 -1.20000 0.00000 -3.75000 0.00000 2.38000 64.00000 HSE1_1SEM-27_15.PDB 6.79401 -6.14000 -3.82000 -5.19000 -10.49000 -4.43000 14.58000 -11.45000 5.35000 8.06000 5.37000 0.00000 0.00000 0.00000 0.58000 1.38000 0.00000 -1.47000 0.00000 -3.24000 0.00000 2.38000 64.00000 HSE1_1SEM-27_16.PDB 6.39364 -8.29000 -1.71000 -3.85000 -8.96000 -3.29000 11.67000 -10.18000 2.23000 6.39000 3.37000 0.00000 0.00000 0.00000 0.28000 1.24000 0.00000 -1.11000 0.00000 -3.13000 0.00000 2.38000 64.00000 HSE1_1SEM-27_17.PDB 6.61725 -10.71000 -3.85000 -6.22000 -10.69000 -4.51000 15.72000 -11.16000 1.55000 9.36000 4.97000 0.00000 0.00000 0.00000 0.33000 1.37000 0.00000 -2.41000 0.00000 -3.79000 0.00000 2.38000 64.00000 HSE1_1SEM-27_18.PDB 6.64224 -7.18000 -4.59000 -6.78000 -10.94000 -4.05000 15.60000 -11.60000 5.87000 9.50000 4.17000 0.00000 0.00000 0.00000 0.60000 1.52000 0.00000 -1.62000 0.00000 -3.35000 0.00000 2.38000 64.00000 HSE1_1SEM-27_19.PDB 6.78135 -9.07000 -2.55000 -4.86000 -9.15000 -3.32000 12.61000 -9.96000 1.53000 7.42000 3.28000 0.00000 0.00000 0.00000 0.30000 1.26000 0.00000 -1.20000 0.00000 -3.17000 0.00000 2.38000 64.00000 HSE1_1SEM-27_20.PDB 6.16715 -8.66000 -3.03000 -5.18000 -10.09000 -4.36000 14.28000 -10.79000 2.79000 8.33000 4.21000 0.00000 0.00000 0.00000 0.31000 1.25000 0.00000 -1.51000 0.00000 -3.61000 0.00000 2.38000 64.00000 HSE1_1SEM-27_21.PDB 4.97485 -6.11000 -1.69000 -3.90000 -8.59000 -3.23000 11.84000 -9.60000 2.40000 6.10000 3.59000 0.00000 0.00000 0.00000 0.67000 1.22000 0.00000 -1.12000 0.00000 -2.59000 0.00000 2.38000 64.00000 HSE1_1SEM-27_22.PDB 6.07702 -8.03000 -2.97000 -3.78000 -9.34000 -3.35000 13.24000 -10.10000 1.76000 7.17000 3.58000 0.00000 0.00000 0.00000 0.55000 1.17000 0.00000 -1.73000 0.00000 -3.05000 0.00000 2.38000 64.00000 HSE1_1SEM-27_23.PDB 6.51314 -8.28000 -1.69000 -3.89000 -8.27000 -3.14000 10.91000 -9.33000 2.10000 5.69000 2.66000 0.00000 0.00000 0.00000 0.42000 1.21000 0.00000 -0.86000 0.00000 -2.88000 0.00000 2.38000 64.00000 HSE1_1SEM-27_24.PDB 5.54624 -7.22000 -1.69000 -4.32000 -8.74000 -3.15000 11.54000 -9.82000 2.11000 7.06000 3.37000 0.00000 0.00000 0.00000 0.28000 1.25000 0.00000 -0.92000 0.00000 -2.92000 0.00000 2.38000 64.00000 HSE1_1SEM-27_25.PDB 7.20625 -8.48000 -1.70000 -3.89000 -8.75000 -3.17000 11.29000 -9.94000 1.89000 6.38000 3.05000 0.00000 0.00000 0.00000 0.25000 1.19000 0.00000 -1.10000 0.00000 -2.81000 0.00000 2.38000 64.00000 HSE1_1SEM-27_26.PDB 6.57233 -7.31000 -3.47000 -6.19000 -10.03000 -3.50000 14.12000 -10.93000 5.01000 8.62000 2.91000 0.00000 0.00000 0.00000 0.65000 1.38000 0.00000 -1.34000 0.00000 -3.16000 0.00000 2.38000 64.00000 HSE1_1SEM-27_27.PDB 5.88045 -4.53000 -3.49000 -5.74000 -9.80000 -2.78000 13.33000 -10.81000 6.89000 7.50000 3.74000 0.00000 0.00000 0.00000 0.25000 1.34000 0.00000 -1.03000 0.00000 -2.58000 0.00000 2.38000 64.00000 HSE1_1SEM-27_28.PDB 8.37732 -8.11000 -4.50000 -7.04000 -9.85000 -3.78000 14.42000 -10.66000 3.83000 8.69000 4.26000 0.00000 0.00000 0.00000 0.71000 1.32000 0.00000 -1.12000 0.00000 -3.08000 0.00000 2.38000 64.00000 HSE1_1SEM-27_29.PDB 7.21054 -5.62000 -2.52000 -3.28000 -9.04000 -2.85000 11.51000 -10.38000 3.95000 5.99000 3.64000 0.00000 0.00000 0.00000 0.58000 1.30000 0.00000 -0.54000 0.00000 -2.68000 0.00000 2.38000 64.00000 HSE1_1SEM-27_30.PDB 7.06114 -7.35000 -4.73000 -6.94000 -11.14000 -4.14000 15.91000 -11.79000 6.15000 9.51000 4.22000 0.00000 0.00000 0.00000 0.71000 1.44000 0.00000 -1.80000 0.00000 -3.32000 0.00000 2.38000 64.00000