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_1OEB-21_1.PDB 3.39289 -7.79000 -0.64000 -4.13000 -3.88000 -0.66000 3.74000 -5.48000 1.20000 2.02000 0.52000 0.00000 0.00000 0.00000 0.21000 0.24000 0.00000 -0.24000 0.00000 -0.44000 0.00000 2.38000 64.00000 HSE1_1OEB-21_2.PDB 3.70134 -9.55000 -0.62000 -3.72000 -4.56000 -1.15000 4.17000 -6.29000 0.57000 2.88000 0.53000 0.00000 0.00000 0.00000 0.20000 0.20000 0.00000 -0.51000 0.00000 -1.04000 0.00000 2.38000 64.00000 HSE1_1OEB-21_3.PDB 3.72821 -10.09000 -0.64000 -4.09000 -4.47000 -0.86000 3.88000 -6.49000 0.78000 2.15000 0.54000 0.00000 0.00000 0.00000 0.18000 0.26000 0.00000 -0.38000 0.00000 -0.68000 0.00000 2.38000 64.00000 HSE1_1OEB-21_4.PDB 4.44052 -10.47000 -0.68000 -4.10000 -4.49000 -0.65000 3.87000 -6.45000 0.43000 1.76000 0.52000 0.00000 0.00000 0.00000 0.27000 0.23000 0.00000 -0.58000 0.00000 -0.37000 0.00000 2.38000 64.00000 HSE1_1OEB-21_5.PDB 5.05595 -10.07000 -0.63000 -4.02000 -4.62000 -0.95000 3.99000 -6.70000 0.55000 2.80000 0.54000 0.00000 0.00000 0.00000 0.23000 0.32000 0.00000 -0.47000 0.00000 -0.78000 0.00000 2.38000 64.00000 HSE1_1OEB-21_6.PDB 4.42224 -9.50000 -0.62000 -4.09000 -4.43000 -0.63000 3.99000 -6.35000 0.63000 2.07000 0.54000 0.00000 0.00000 0.00000 0.21000 0.24000 0.00000 -0.38000 0.00000 -0.44000 0.00000 2.38000 64.00000 HSE1_1OEB-21_7.PDB 4.62969 -11.43000 -0.64000 -4.02000 -5.00000 -1.73000 4.75000 -6.78000 0.39000 2.89000 0.53000 0.00000 0.00000 0.00000 0.23000 0.26000 0.00000 -0.41000 0.00000 -1.63000 0.00000 2.38000 64.00000 HSE1_1OEB-21_8.PDB 4.35750 -8.05000 -0.62000 -2.40000 -4.56000 -1.37000 4.00000 -6.38000 1.27000 2.75000 0.69000 0.00000 0.00000 0.00000 0.19000 0.34000 0.00000 -0.30000 0.00000 -1.31000 0.00000 2.38000 64.00000 HSE1_1OEB-21_9.PDB 3.27381 -7.86000 -0.61000 -4.00000 -3.98000 -0.60000 3.81000 -5.60000 0.37000 2.65000 0.43000 0.00000 0.00000 0.00000 0.20000 0.32000 0.00000 -0.13000 0.00000 -0.40000 0.00000 2.38000 64.00000 HSE1_1OEB-21_10.PDB 3.52447 -8.96000 -0.62000 -3.86000 -4.57000 -1.12000 4.55000 -6.10000 0.41000 3.02000 0.42000 0.00000 0.00000 0.00000 0.19000 0.35000 0.00000 -0.25000 0.00000 -1.01000 0.00000 2.38000 64.00000 HSE1_1OEB-21_11.PDB 5.54685 -9.23000 -0.62000 -4.01000 -4.12000 -0.73000 3.96000 -5.75000 0.46000 1.66000 0.54000 0.00000 0.00000 0.00000 0.23000 0.22000 0.00000 -0.32000 0.00000 -0.52000 0.00000 2.38000 64.00000 HSE1_1OEB-21_12.PDB 3.37532 -8.75000 -0.62000 -4.11000 -4.33000 -0.85000 3.95000 -6.22000 1.34000 2.40000 0.53000 0.00000 0.00000 0.00000 0.18000 0.27000 0.00000 -0.32000 0.00000 -0.70000 0.00000 2.38000 64.00000 HSE1_1OEB-21_13.PDB 5.60846 -10.00000 -0.62000 -4.17000 -4.94000 -1.37000 4.68000 -6.65000 1.20000 2.62000 0.59000 0.00000 0.00000 0.00000 0.25000 0.20000 0.00000 -0.38000 0.00000 -1.20000 0.00000 2.38000 64.00000 HSE1_1OEB-21_14.PDB 3.39101 -10.28000 -0.60000 -4.01000 -4.70000 -1.27000 4.39000 -6.83000 0.49000 2.92000 0.54000 0.00000 0.00000 0.00000 0.19000 0.30000 0.00000 -0.24000 0.00000 -1.16000 0.00000 2.38000 64.00000 HSE1_1OEB-21_15.PDB 4.35904 -10.46000 -0.63000 -4.07000 -4.66000 -0.98000 4.01000 -6.76000 0.51000 2.58000 0.61000 0.00000 0.00000 0.00000 0.21000 0.27000 0.00000 -0.49000 0.00000 -0.80000 0.00000 2.38000 64.00000 HSE1_1OEB-21_16.PDB 4.41121 -8.61000 -0.64000 -4.07000 -3.96000 -0.66000 3.83000 -5.54000 0.93000 1.58000 0.54000 0.00000 0.00000 0.00000 0.20000 0.24000 0.00000 -0.37000 0.00000 -0.45000 0.00000 2.38000 64.00000 HSE1_1OEB-21_17.PDB 3.66455 -10.43000 -0.63000 -4.09000 -4.65000 -1.50000 4.31000 -6.42000 0.57000 3.06000 0.52000 0.00000 0.00000 0.00000 0.20000 0.27000 0.00000 -0.39000 0.00000 -1.41000 0.00000 2.38000 64.00000 HSE1_1OEB-21_18.PDB 4.32181 -8.71000 -0.61000 -3.85000 -4.54000 -0.87000 4.60000 -6.25000 1.01000 2.28000 0.53000 0.00000 0.00000 0.00000 0.21000 0.35000 0.00000 -0.54000 0.00000 -0.67000 0.00000 2.38000 64.00000 HSE1_1OEB-21_19.PDB 3.87081 -10.06000 -0.63000 -4.10000 -4.84000 -1.57000 4.66000 -6.49000 1.21000 2.77000 0.57000 0.00000 0.00000 0.00000 0.22000 0.24000 0.00000 -0.44000 0.00000 -1.43000 0.00000 2.38000 64.00000 HSE1_1OEB-21_20.PDB 4.66992 -10.13000 -0.61000 -4.02000 -4.53000 -1.20000 4.38000 -6.21000 0.46000 2.30000 0.54000 0.00000 0.00000 0.00000 0.23000 0.19000 0.00000 -0.41000 0.00000 -1.05000 0.00000 2.38000 64.00000 HSE1_1OEB-21_21.PDB 3.82171 -9.28000 -0.70000 -3.98000 -4.60000 -0.62000 4.18000 -6.54000 0.37000 2.61000 0.50000 0.00000 0.00000 0.00000 0.25000 0.49000 0.00000 -0.31000 0.00000 -0.44000 0.00000 2.38000 64.00000 HSE1_1OEB-21_22.PDB 3.23292 -8.22000 -0.67000 -3.96000 -3.90000 -0.62000 3.67000 -5.47000 0.33000 2.48000 0.48000 0.00000 0.00000 0.00000 0.19000 0.42000 0.00000 -0.29000 0.00000 -0.45000 0.00000 2.38000 64.00000 HSE1_1OEB-21_23.PDB 3.43536 -10.24000 -0.63000 -4.04000 -4.41000 -1.03000 3.77000 -6.39000 0.68000 2.30000 0.51000 0.00000 0.00000 0.00000 0.20000 0.24000 0.00000 -0.40000 0.00000 -0.81000 0.00000 2.38000 64.00000 HSE1_1OEB-21_24.PDB 3.80163 -9.70000 -0.66000 -3.96000 -4.38000 -1.13000 4.07000 -6.05000 0.31000 2.73000 0.41000 0.00000 0.00000 0.00000 0.22000 0.36000 0.00000 -0.28000 0.00000 -0.99000 0.00000 2.38000 64.00000 HSE1_1OEB-21_25.PDB 4.23162 -9.86000 -0.68000 -4.02000 -4.42000 -1.08000 4.20000 -6.07000 0.41000 2.65000 0.41000 0.00000 0.00000 0.00000 0.25000 0.36000 0.00000 -0.58000 0.00000 -0.93000 0.00000 2.38000 64.00000 HSE1_1OEB-21_26.PDB 4.28653 -9.29000 -0.70000 -3.74000 -4.63000 -0.64000 3.99000 -6.64000 0.90000 2.32000 0.55000 0.00000 0.00000 0.00000 0.21000 0.28000 0.00000 -0.54000 0.00000 -0.36000 0.00000 2.38000 64.00000 HSE1_1OEB-21_27.PDB 4.17635 -9.11000 -0.62000 -4.14000 -4.33000 -1.09000 3.95000 -6.18000 1.27000 2.53000 0.52000 0.00000 0.00000 0.00000 0.17000 0.22000 0.00000 -0.24000 0.00000 -0.96000 0.00000 2.38000 64.00000 HSE1_1OEB-21_28.PDB 5.65568 -10.00000 -0.63000 -5.88000 -5.07000 -1.78000 5.16000 -6.70000 1.95000 3.92000 0.84000 0.00000 0.00000 0.00000 0.19000 0.32000 0.00000 -0.38000 0.00000 -1.61000 0.00000 2.38000 64.00000 HSE1_1OEB-21_29.PDB 3.63521 -8.80000 -0.61000 -3.82000 -4.52000 -0.83000 4.38000 -6.28000 0.34000 2.73000 0.50000 0.00000 0.00000 0.00000 0.22000 0.32000 0.00000 -0.24000 0.00000 -0.68000 0.00000 2.38000 64.00000 HSE1_1OEB-21_30.PDB 5.67931 -10.23000 -0.63000 -4.01000 -4.59000 -0.98000 4.14000 -6.55000 0.51000 2.27000 0.62000 0.00000 0.00000 0.00000 0.18000 0.28000 0.00000 -0.43000 0.00000 -0.76000 0.00000 2.38000 64.00000