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 BEM1-D1_JO8-LCK-9_1.PDB 7.45252 -9.00000 -0.93000 -4.44000 -7.44000 -1.39000 8.44000 -9.26000 0.44000 4.76000 1.93000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.45000 0.00000 -0.70000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_2.PDB 7.27007 -9.01000 -0.94000 -4.46000 -7.53000 -1.30000 8.39000 -9.42000 0.44000 4.78000 2.22000 0.00000 0.00000 0.00000 0.07000 0.53000 0.00000 -0.55000 0.00000 -0.73000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_3.PDB 8.48369 -8.91000 -0.89000 -6.02000 -7.67000 -1.28000 8.90000 -9.48000 0.50000 5.72000 2.25000 0.00000 0.00000 0.00000 0.12000 0.44000 0.00000 -0.42000 0.00000 -0.64000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_4.PDB 5.74731 -9.37000 -0.90000 -3.53000 -7.29000 -1.18000 7.72000 -9.33000 0.18000 4.12000 1.92000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.45000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_5.PDB 7.18134 -8.85000 -0.90000 -4.40000 -7.49000 -1.37000 8.51000 -9.32000 0.41000 4.73000 2.14000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.53000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_6.PDB 7.21372 -7.75000 -0.69000 -4.10000 -6.92000 -1.34000 7.79000 -8.68000 0.48000 4.69000 1.78000 0.00000 0.00000 0.00000 0.04000 0.50000 0.00000 0.01000 0.00000 -0.81000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_7.PDB 7.53426 -9.84000 -0.93000 -6.10000 -7.71000 -1.39000 8.70000 -9.59000 0.40000 6.02000 1.82000 0.00000 0.00000 0.00000 0.07000 0.50000 0.00000 -0.43000 0.00000 -0.72000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_8.PDB 7.44675 -8.82000 -0.91000 -6.08000 -8.60000 -1.42000 9.84000 -10.53000 0.48000 6.95000 2.47000 0.00000 0.00000 0.00000 0.10000 0.87000 0.00000 -0.42000 0.00000 -0.71000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_9.PDB 7.63765 -9.50000 -0.88000 -6.01000 -7.55000 -1.34000 8.54000 -9.42000 0.47000 5.89000 1.87000 0.00000 0.00000 0.00000 0.03000 0.56000 0.00000 -0.44000 0.00000 -0.67000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_10.PDB 7.02364 -8.83000 -0.88000 -4.38000 -7.57000 -1.35000 8.41000 -9.48000 0.40000 4.81000 2.31000 0.00000 0.00000 0.00000 0.07000 0.50000 0.00000 -0.37000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_11.PDB 7.06152 -8.33000 -1.46000 -4.96000 -6.82000 -1.35000 8.12000 -8.34000 0.58000 5.14000 1.87000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.39000 0.00000 -0.75000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_12.PDB 7.92561 -8.22000 -0.90000 -4.39000 -7.06000 -1.39000 8.11000 -8.81000 0.42000 4.78000 2.05000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.25000 0.00000 -0.84000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_13.PDB 6.96525 -8.40000 -0.88000 -5.12000 -7.81000 -1.32000 8.56000 -9.82000 1.21000 5.32000 2.28000 0.00000 0.00000 0.00000 0.04000 0.57000 0.00000 -0.16000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_14.PDB 7.03873 -8.38000 -0.93000 -4.42000 -7.14000 -1.41000 8.26000 -8.86000 0.49000 4.71000 2.02000 0.00000 0.00000 0.00000 0.08000 0.47000 0.00000 -0.39000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_15.PDB 7.11194 -9.03000 -0.89000 -4.43000 -7.86000 -1.39000 8.80000 -9.82000 0.39000 4.92000 2.35000 0.00000 0.00000 0.00000 0.07000 0.55000 0.00000 -0.48000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_16.PDB 8.18898 -8.32000 -0.87000 -4.33000 -7.00000 -1.43000 8.16000 -8.63000 0.36000 4.65000 2.08000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -0.54000 0.00000 -0.83000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_17.PDB 6.88763 -8.97000 -0.94000 -6.13000 -6.78000 -1.40000 8.02000 -8.48000 0.42000 5.69000 1.73000 0.00000 0.00000 0.00000 0.04000 0.50000 0.00000 -0.32000 0.00000 -0.83000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_18.PDB 7.09971 -8.27000 -0.91000 -2.69000 -6.90000 -1.34000 7.06000 -8.70000 0.39000 3.97000 1.67000 0.00000 0.00000 0.00000 0.04000 0.49000 0.00000 -0.16000 0.00000 -0.70000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_19.PDB 6.91223 -8.51000 -0.88000 -2.62000 -7.11000 -1.35000 7.24000 -8.95000 0.35000 4.10000 1.78000 0.00000 0.00000 0.00000 0.06000 0.47000 0.00000 -0.42000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_20.PDB 7.98938 -8.72000 -0.92000 -4.45000 -6.95000 -1.41000 7.98000 -8.60000 0.42000 4.82000 1.64000 0.00000 0.00000 0.00000 0.05000 0.48000 0.00000 -0.50000 0.00000 -0.81000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_21.PDB 7.14067 -9.25000 -0.90000 -6.06000 -7.52000 -1.36000 8.75000 -9.25000 0.37000 5.83000 1.95000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.45000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_22.PDB 7.27451 -8.17000 -0.88000 -4.39000 -8.52000 -1.38000 9.62000 -10.48000 0.45000 5.87000 2.60000 0.00000 0.00000 0.00000 0.10000 0.86000 0.00000 -0.46000 0.00000 -0.70000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_23.PDB 4.78778 -8.55000 -0.91000 -3.99000 -7.37000 -0.99000 8.03000 -9.40000 0.24000 4.47000 2.26000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.40000 0.00000 -0.54000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_24.PDB 7.16329 -8.62000 -0.92000 -4.44000 -7.48000 -1.42000 8.60000 -9.31000 0.44000 4.79000 2.16000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.40000 0.00000 -0.72000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_25.PDB 6.31487 -8.26000 -0.73000 -4.90000 -8.39000 -1.12000 9.28000 -10.40000 0.51000 6.20000 2.60000 0.00000 0.00000 0.00000 0.10000 0.78000 0.00000 -0.67000 0.00000 -0.71000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_26.PDB 8.07917 -8.60000 -2.14000 -5.66000 -7.35000 -1.30000 9.02000 -8.74000 0.43000 5.93000 2.28000 0.00000 0.00000 0.00000 0.08000 0.49000 0.00000 -0.45000 0.00000 -0.70000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_27.PDB 6.67224 -9.44000 -0.97000 -4.49000 -8.25000 -1.49000 9.25000 -10.58000 0.60000 5.18000 2.27000 0.00000 0.00000 0.00000 0.06000 0.65000 0.00000 -0.31000 0.00000 -0.72000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_28.PDB 7.34878 -8.15000 -0.91000 -4.33000 -8.41000 -1.38000 9.45000 -10.45000 0.52000 5.95000 2.41000 0.00000 0.00000 0.00000 0.09000 0.84000 0.00000 -0.36000 0.00000 -0.72000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_29.PDB 7.07534 -8.63000 -1.55000 -5.04000 -6.87000 -1.31000 8.16000 -8.41000 0.39000 5.11000 2.11000 0.00000 0.00000 0.00000 0.08000 0.45000 0.00000 -0.61000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-9_30.PDB 7.40274 -8.41000 -0.93000 -6.02000 -8.03000 -1.47000 9.54000 -9.86000 0.38000 6.72000 2.45000 0.00000 0.00000 0.00000 0.11000 0.70000 0.00000 -0.40000 0.00000 -0.89000 0.00000 2.38000 64.00000