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-2_1.PDB 5.13126 -4.69000 -0.43000 -2.20000 -10.25000 -3.12000 10.70000 -13.63000 7.99000 6.30000 2.79000 0.00000 0.00000 0.00000 0.27000 0.80000 0.00000 -0.49000 0.00000 -2.62000 0.00000 2.38000 65.00000 HSE1_1SEM-2_2.PDB 5.42740 -6.05000 -0.43000 -2.73000 -10.07000 -3.97000 10.95000 -13.27000 7.18000 6.20000 3.69000 0.00000 0.00000 0.00000 0.25000 0.62000 0.00000 -0.80000 0.00000 -3.06000 0.00000 2.38000 65.00000 HSE1_1SEM-2_3.PDB 5.13376 -4.80000 -0.39000 -1.80000 -10.07000 -2.84000 10.09000 -13.71000 7.76000 5.99000 2.69000 0.00000 0.00000 0.00000 0.25000 0.78000 0.00000 -0.44000 0.00000 -2.34000 0.00000 2.38000 65.00000 HSE1_1SEM-2_4.PDB 5.38424 -6.07000 -1.97000 -3.40000 -11.15000 -3.48000 12.00000 -14.62000 8.31000 7.48000 3.74000 0.00000 0.00000 0.00000 0.42000 0.75000 0.00000 -0.76000 0.00000 -2.64000 0.00000 2.38000 65.00000 HSE1_1SEM-2_5.PDB 5.51181 -6.93000 -1.21000 -5.08000 -11.14000 -4.03000 12.84000 -14.28000 7.36000 8.45000 4.55000 0.00000 0.00000 0.00000 0.28000 0.75000 0.00000 -1.36000 0.00000 -3.29000 0.00000 2.38000 65.00000 HSE1_1SEM-2_6.PDB 5.44371 -6.26000 -0.42000 -2.99000 -10.23000 -4.27000 11.42000 -13.23000 6.88000 6.69000 3.53000 0.00000 0.00000 0.00000 0.31000 0.74000 0.00000 -0.66000 0.00000 -3.29000 0.00000 2.38000 65.00000 HSE1_1SEM-2_7.PDB 5.19585 -6.85000 -0.42000 -4.33000 -10.37000 -3.67000 10.88000 -13.91000 7.92000 7.43000 3.43000 0.00000 0.00000 0.00000 0.24000 0.63000 0.00000 -0.98000 0.00000 -3.07000 0.00000 2.38000 65.00000 HSE1_1SEM-2_8.PDB 5.40345 -5.54000 -1.20000 -3.42000 -10.87000 -3.54000 11.74000 -14.04000 7.00000 8.03000 4.27000 0.00000 0.00000 0.00000 0.27000 0.72000 0.00000 -0.70000 0.00000 -3.07000 0.00000 2.38000 65.00000 HSE1_1SEM-2_9.PDB 5.14538 -9.53000 -0.45000 -2.69000 -10.44000 -3.39000 10.79000 -13.83000 4.31000 6.19000 3.21000 0.00000 0.00000 0.00000 0.23000 0.77000 0.00000 -0.55000 0.00000 -2.90000 0.00000 2.38000 65.00000 HSE1_1SEM-2_10.PDB 6.15165 -5.64000 -1.29000 -3.28000 -9.75000 -3.20000 10.26000 -13.02000 7.22000 6.57000 3.49000 0.00000 0.00000 0.00000 0.61000 0.71000 0.00000 -0.58000 0.00000 -2.69000 0.00000 2.38000 65.00000 HSE1_1SEM-2_11.PDB 5.78274 -6.47000 -1.59000 -3.80000 -11.01000 -3.67000 12.71000 -13.91000 7.41000 8.29000 3.26000 0.00000 0.00000 0.00000 0.30000 0.66000 0.00000 -1.39000 0.00000 -3.06000 0.00000 2.38000 65.00000 HSE1_1SEM-2_12.PDB 5.32219 -5.14000 -0.45000 -2.60000 -10.04000 -3.94000 11.38000 -13.00000 6.72000 6.46000 3.34000 0.00000 0.00000 0.00000 0.25000 0.66000 0.00000 -0.38000 0.00000 -2.88000 0.00000 2.38000 65.00000 HSE1_1SEM-2_13.PDB 5.42866 -5.79000 -1.70000 -4.69000 -10.90000 -3.47000 12.36000 -13.99000 7.04000 8.83000 4.39000 0.00000 0.00000 0.00000 0.28000 0.75000 0.00000 -1.12000 0.00000 -2.83000 0.00000 2.38000 65.00000 HSE1_1SEM-2_14.PDB 5.52831 -6.24000 -1.19000 -2.61000 -10.96000 -3.23000 11.75000 -14.14000 6.91000 6.89000 3.49000 0.00000 0.00000 0.00000 0.31000 0.61000 0.00000 -0.75000 0.00000 -2.71000 0.00000 2.38000 65.00000 HSE1_1SEM-2_15.PDB 5.13699 -6.45000 -1.65000 -4.45000 -10.79000 -3.24000 12.07000 -13.79000 7.29000 7.79000 3.67000 0.00000 0.00000 0.00000 0.26000 0.78000 0.00000 -1.05000 0.00000 -2.55000 0.00000 2.38000 65.00000 HSE1_1SEM-2_16.PDB 4.93790 -5.00000 -0.43000 -3.10000 -10.51000 -3.44000 11.28000 -13.89000 7.76000 7.32000 3.12000 0.00000 0.00000 0.00000 0.28000 0.83000 0.00000 -0.46000 0.00000 -2.92000 0.00000 2.38000 65.00000 HSE1_1SEM-2_17.PDB 5.45211 -4.97000 -0.43000 -2.46000 -10.32000 -3.33000 10.99000 -13.71000 7.98000 6.53000 2.80000 0.00000 0.00000 0.00000 0.26000 0.76000 0.00000 -0.45000 0.00000 -2.82000 0.00000 2.38000 65.00000 HSE1_1SEM-2_18.PDB 5.16342 -6.20000 -1.21000 -3.28000 -11.38000 -3.34000 12.02000 -14.93000 8.11000 7.52000 3.66000 0.00000 0.00000 0.00000 0.29000 0.72000 0.00000 -0.91000 0.00000 -2.75000 0.00000 2.38000 65.00000 HSE1_1SEM-2_19.PDB 5.04122 -9.86000 -1.27000 -1.97000 -11.85000 -3.38000 12.45000 -15.19000 4.67000 7.64000 2.76000 0.00000 0.00000 0.00000 0.31000 0.73000 0.00000 -1.24000 0.00000 -2.79000 0.00000 2.38000 65.00000 HSE1_1SEM-2_20.PDB 5.49743 -8.31000 -0.44000 -2.19000 -10.41000 -3.09000 10.77000 -13.82000 4.23000 6.27000 3.26000 0.00000 0.00000 0.00000 0.29000 0.72000 0.00000 -0.39000 0.00000 -2.78000 0.00000 2.38000 65.00000 HSE1_1SEM-2_21.PDB 5.65746 -7.09000 -1.74000 -4.59000 -11.22000 -3.97000 13.02000 -14.13000 7.68000 9.14000 3.21000 0.00000 0.00000 0.00000 0.28000 0.81000 0.00000 -1.37000 0.00000 -3.40000 0.00000 2.38000 65.00000 HSE1_1SEM-2_22.PDB 5.11846 -5.88000 -0.44000 -2.03000 -10.56000 -2.99000 10.91000 -13.98000 6.65000 6.29000 2.82000 0.00000 0.00000 0.00000 0.23000 0.83000 0.00000 -0.15000 0.00000 -2.63000 0.00000 2.38000 65.00000 HSE1_1SEM-2_23.PDB 5.05384 -5.76000 -0.43000 -1.91000 -9.65000 -3.07000 10.12000 -12.94000 6.54000 5.55000 2.86000 0.00000 0.00000 0.00000 0.26000 0.70000 0.00000 -0.44000 0.00000 -2.66000 0.00000 2.38000 65.00000 HSE1_1SEM-2_24.PDB 5.13367 -6.71000 -1.79000 -4.76000 -11.03000 -3.64000 12.85000 -13.96000 7.49000 8.89000 3.22000 0.00000 0.00000 0.00000 0.27000 0.60000 0.00000 -1.28000 0.00000 -2.96000 0.00000 2.38000 65.00000 HSE1_1SEM-2_25.PDB 5.28175 -7.59000 -1.24000 -3.10000 -11.92000 -3.69000 12.75000 -15.44000 6.49000 8.46000 3.74000 0.00000 0.00000 0.00000 0.31000 0.77000 0.00000 -0.88000 0.00000 -3.07000 0.00000 2.38000 65.00000 HSE1_1SEM-2_26.PDB 5.16090 -9.82000 -1.23000 -1.93000 -11.30000 -3.17000 11.28000 -14.76000 3.85000 7.53000 3.21000 0.00000 0.00000 0.00000 0.26000 0.76000 0.00000 -0.65000 0.00000 -2.92000 0.00000 2.38000 65.00000 HSE1_1SEM-2_27.PDB 4.93839 -6.88000 -0.43000 -2.69000 -9.75000 -3.15000 10.13000 -12.97000 6.46000 5.67000 2.72000 0.00000 0.00000 0.00000 0.19000 0.73000 0.00000 -0.55000 0.00000 -2.52000 0.00000 2.38000 65.00000 HSE1_1SEM-2_28.PDB 5.20657 -8.46000 -2.41000 -5.24000 -10.53000 -3.64000 12.34000 -13.41000 6.74000 7.84000 3.87000 0.00000 0.00000 0.00000 0.31000 0.61000 0.00000 -1.26000 0.00000 -3.07000 0.00000 2.38000 65.00000 HSE1_1SEM-2_29.PDB 5.50167 -6.56000 -1.65000 -5.05000 -11.15000 -3.89000 12.93000 -14.19000 8.16000 8.76000 3.77000 0.00000 0.00000 0.00000 0.31000 0.69000 0.00000 -1.44000 0.00000 -3.12000 0.00000 2.38000 65.00000 HSE1_1SEM-2_30.PDB 5.34112 -5.99000 -0.44000 -2.42000 -10.48000 -3.91000 11.74000 -13.73000 6.90000 6.16000 3.34000 0.00000 0.00000 0.00000 0.29000 0.62000 0.00000 -0.45000 0.00000 -3.00000 0.00000 2.38000 65.00000