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-9_1.PDB 3.82695 -10.89000 -2.16000 -3.85000 -8.78000 -2.75000 11.00000 -10.74000 0.72000 5.98000 2.55000 0.00000 0.00000 0.00000 0.20000 0.70000 0.00000 -1.31000 0.00000 -1.74000 0.00000 2.38000 63.00000 HSE1_1SEM-9_2.PDB 3.87779 -10.97000 -2.15000 -3.84000 -8.60000 -1.94000 9.53000 -10.91000 1.22000 5.21000 2.37000 0.00000 0.00000 0.00000 0.49000 0.64000 0.00000 -0.97000 0.00000 -1.38000 0.00000 2.38000 63.00000 HSE1_1SEM-9_3.PDB 4.74087 -10.34000 -2.17000 -2.46000 -8.60000 -2.21000 9.87000 -10.83000 0.43000 5.55000 2.69000 0.00000 0.00000 0.00000 0.45000 0.65000 0.00000 -1.46000 0.00000 -1.60000 0.00000 2.38000 63.00000 HSE1_1SEM-9_4.PDB 5.22192 -11.05000 -2.01000 -3.89000 -9.73000 -3.81000 12.63000 -11.53000 1.23000 6.44000 2.70000 0.00000 0.00000 0.00000 0.73000 0.83000 0.00000 -1.53000 0.00000 -2.26000 0.00000 2.38000 63.00000 HSE1_1SEM-9_5.PDB 4.28999 -13.39000 -2.18000 -5.52000 -9.14000 -3.43000 11.42000 -11.01000 0.50000 6.46000 2.66000 0.00000 0.00000 0.00000 0.46000 0.73000 0.00000 -1.57000 0.00000 -2.04000 0.00000 2.38000 63.00000 HSE1_1SEM-9_6.PDB 3.60670 -11.42000 -2.14000 -3.73000 -9.82000 -3.58000 12.47000 -11.88000 0.68000 6.88000 3.12000 0.00000 0.00000 0.00000 0.36000 1.12000 0.00000 -1.56000 0.00000 -2.19000 0.00000 2.38000 63.00000 HSE1_1SEM-9_7.PDB 3.09932 -10.95000 -2.14000 -2.13000 -8.51000 -1.96000 9.04000 -10.83000 0.17000 4.97000 2.81000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -0.93000 0.00000 -1.54000 0.00000 2.38000 63.00000 HSE1_1SEM-9_8.PDB 4.76140 -12.78000 -2.21000 -4.72000 -10.04000 -2.55000 11.39000 -12.55000 0.51000 6.52000 3.40000 0.00000 0.00000 0.00000 0.75000 1.05000 0.00000 -1.80000 0.00000 -1.49000 0.00000 2.38000 63.00000 HSE1_1SEM-9_9.PDB 4.07914 -10.46000 -3.03000 -2.99000 -8.98000 -2.04000 10.28000 -10.96000 0.55000 6.23000 2.77000 0.00000 0.00000 0.00000 0.50000 0.64000 0.00000 -1.15000 0.00000 -1.64000 0.00000 2.38000 63.00000 HSE1_1SEM-9_10.PDB 3.49191 -11.47000 -2.15000 -4.57000 -9.25000 -2.48000 10.85000 -11.41000 0.48000 6.24000 3.12000 0.00000 0.00000 0.00000 0.33000 0.67000 0.00000 -1.08000 0.00000 -1.56000 0.00000 2.38000 63.00000 HSE1_1SEM-9_11.PDB 3.29292 -14.39000 -2.11000 -5.22000 -9.52000 -3.42000 11.48000 -11.41000 0.42000 6.43000 2.57000 0.00000 0.00000 0.00000 0.11000 0.71000 0.00000 -1.63000 0.00000 -2.09000 0.00000 2.38000 63.00000 HSE1_1SEM-9_12.PDB 3.67232 -9.49000 -2.18000 -2.59000 -8.59000 -2.23000 10.16000 -10.89000 0.67000 5.55000 2.86000 0.00000 0.00000 0.00000 0.34000 0.90000 0.00000 -0.90000 0.00000 -1.69000 0.00000 2.38000 63.00000 HSE1_1SEM-9_13.PDB 3.87267 -10.62000 -2.13000 -3.81000 -8.74000 -2.67000 10.84000 -10.76000 0.56000 5.98000 2.92000 0.00000 0.00000 0.00000 0.26000 0.91000 0.00000 -1.37000 0.00000 -1.68000 0.00000 2.38000 63.00000 HSE1_1SEM-9_14.PDB 4.83252 -9.93000 -2.12000 -3.81000 -9.43000 -2.80000 12.07000 -11.33000 0.41000 6.19000 3.15000 0.00000 0.00000 0.00000 0.62000 0.94000 0.00000 -1.13000 0.00000 -1.75000 0.00000 2.38000 63.00000 HSE1_1SEM-9_15.PDB 3.18487 -12.74000 -2.33000 -3.94000 -8.98000 -3.43000 11.33000 -10.65000 0.37000 5.93000 2.80000 0.00000 0.00000 0.00000 0.13000 0.70000 0.00000 -1.77000 0.00000 -2.21000 0.00000 2.38000 63.00000 HSE1_1SEM-9_16.PDB 3.49102 -10.01000 -2.14000 -2.55000 -8.59000 -2.33000 10.11000 -10.55000 0.47000 5.66000 2.51000 0.00000 0.00000 0.00000 0.17000 0.61000 0.00000 -1.06000 0.00000 -1.71000 0.00000 2.38000 63.00000 HSE1_1SEM-9_17.PDB 4.41009 -8.55000 -2.06000 -2.37000 -8.75000 -2.22000 11.19000 -10.49000 0.52000 5.45000 2.71000 0.00000 0.00000 0.00000 0.21000 0.74000 0.00000 -1.02000 0.00000 -1.71000 0.00000 2.38000 63.00000 HSE1_1SEM-9_18.PDB 4.08121 -10.97000 -2.17000 -4.37000 -8.75000 -2.38000 10.26000 -10.85000 0.48000 5.74000 3.01000 0.00000 0.00000 0.00000 0.77000 0.72000 0.00000 -1.17000 0.00000 -1.55000 0.00000 2.38000 63.00000 HSE1_1SEM-9_19.PDB 4.88909 -10.39000 -2.18000 -3.01000 -8.61000 -2.53000 9.99000 -10.76000 0.66000 5.88000 2.52000 0.00000 0.00000 0.00000 0.51000 0.61000 0.00000 -1.12000 0.00000 -1.74000 0.00000 2.38000 63.00000 HSE1_1SEM-9_20.PDB 4.61551 -10.71000 -2.13000 -2.11000 -8.45000 -2.21000 9.65000 -10.73000 0.44000 5.14000 2.45000 0.00000 0.00000 0.00000 0.23000 0.59000 0.00000 -1.31000 0.00000 -1.66000 0.00000 2.38000 63.00000 HSE1_1SEM-9_21.PDB 3.50732 -11.80000 -2.19000 -3.67000 -10.06000 -2.27000 11.29000 -12.82000 0.61000 6.17000 3.56000 0.00000 0.00000 0.00000 0.27000 1.19000 0.00000 -1.26000 0.00000 -1.44000 0.00000 2.38000 63.00000 HSE1_1SEM-9_22.PDB 4.13325 -11.73000 -3.79000 -3.70000 -9.01000 -3.06000 12.01000 -10.37000 0.48000 6.44000 2.44000 0.00000 0.00000 0.00000 0.47000 0.71000 0.00000 -1.26000 0.00000 -2.37000 0.00000 2.38000 63.00000 HSE1_1SEM-9_23.PDB 3.46914 -11.52000 -2.16000 -3.38000 -8.05000 -1.78000 8.58000 -10.27000 0.39000 4.85000 2.36000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.76000 0.00000 -1.39000 0.00000 2.38000 63.00000 HSE1_1SEM-9_24.PDB 3.50792 -11.24000 -2.13000 -3.01000 -8.56000 -2.22000 9.55000 -10.58000 0.36000 5.36000 2.65000 0.00000 0.00000 0.00000 0.12000 0.76000 0.00000 -1.22000 0.00000 -1.54000 0.00000 2.38000 63.00000 HSE1_1SEM-9_25.PDB 5.13485 -11.91000 -2.14000 -4.67000 -9.68000 -2.50000 11.59000 -11.99000 0.57000 6.42000 3.14000 0.00000 0.00000 0.00000 0.22000 0.98000 0.00000 -1.34000 0.00000 -1.53000 0.00000 2.38000 63.00000 HSE1_1SEM-9_26.PDB 3.22600 -11.14000 -2.16000 -2.82000 -8.54000 -2.25000 9.74000 -10.66000 0.20000 5.36000 3.02000 0.00000 0.00000 0.00000 0.10000 0.68000 0.00000 -1.44000 0.00000 -1.68000 0.00000 2.38000 63.00000 HSE1_1SEM-9_27.PDB 3.19952 -12.41000 -2.18000 -5.31000 -9.09000 -3.65000 11.75000 -10.60000 0.94000 6.47000 2.47000 0.00000 0.00000 0.00000 0.17000 0.62000 0.00000 -1.26000 0.00000 -2.12000 0.00000 2.38000 63.00000 HSE1_1SEM-9_28.PDB 4.76431 -10.19000 -2.13000 -3.71000 -9.12000 -2.87000 12.01000 -10.81000 0.39000 5.98000 3.17000 0.00000 0.00000 0.00000 0.50000 0.80000 0.00000 -1.74000 0.00000 -1.86000 0.00000 2.38000 63.00000 HSE1_1SEM-9_29.PDB 3.97456 -11.55000 -2.13000 -5.21000 -9.77000 -2.88000 12.75000 -11.31000 0.50000 6.41000 3.12000 0.00000 0.00000 0.00000 0.24000 0.91000 0.00000 -1.65000 0.00000 -1.61000 0.00000 2.38000 63.00000 HSE1_1SEM-9_30.PDB 2.84385 -11.31000 -2.22000 -3.89000 -8.91000 -3.66000 11.99000 -10.16000 0.43000 6.16000 2.59000 0.00000 0.00000 0.00000 0.17000 0.70000 0.00000 -1.54000 0.00000 -2.28000 0.00000 2.38000 63.00000