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-7_1.PDB 8.08626 -8.12000 -1.01000 -1.76000 -7.02000 -0.74000 5.99000 -9.50000 1.07000 3.79000 1.37000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -0.12000 0.00000 -0.29000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_2.PDB 7.00202 -6.71000 -1.01000 -2.63000 -7.45000 -1.15000 8.26000 -9.14000 0.67000 4.88000 1.61000 0.00000 0.00000 0.00000 0.04000 0.74000 0.00000 -0.42000 0.00000 -0.38000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_3.PDB 7.48690 -8.46000 -1.02000 -1.88000 -6.75000 -0.81000 6.04000 -8.97000 0.34000 3.65000 1.40000 0.00000 0.00000 0.00000 0.04000 0.42000 0.00000 -0.15000 0.00000 -0.35000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_4.PDB 7.53537 -6.73000 -1.06000 -2.59000 -7.07000 -1.13000 7.57000 -8.74000 0.53000 3.93000 2.41000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.14000 0.00000 -0.46000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_5.PDB 10.08980 -7.97000 -0.96000 -2.65000 -8.17000 -1.14000 8.34000 -10.30000 0.61000 4.83000 2.08000 0.00000 0.00000 0.00000 0.18000 0.58000 0.00000 -0.37000 0.00000 -0.41000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_6.PDB 8.89889 -9.26000 -1.03000 -2.72000 -7.72000 -1.29000 7.32000 -10.01000 0.69000 4.35000 1.99000 0.00000 0.00000 0.00000 0.04000 0.48000 0.00000 -0.31000 0.00000 -0.58000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_7.PDB 7.79497 -6.76000 -1.02000 -1.82000 -7.60000 -0.77000 7.55000 -9.83000 0.67000 4.71000 1.88000 0.00000 0.00000 0.00000 0.05000 0.81000 0.00000 -0.27000 0.00000 -0.32000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_8.PDB 6.69096 -7.29000 -1.03000 -1.81000 -6.28000 -0.99000 6.12000 -8.21000 0.60000 3.53000 1.48000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.12000 0.00000 -0.60000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_9.PDB 9.17275 -7.52000 -0.97000 -2.68000 -7.55000 -1.24000 8.02000 -9.32000 0.48000 4.52000 1.83000 0.00000 0.00000 0.00000 0.12000 0.49000 0.00000 -0.18000 0.00000 -0.54000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_10.PDB 8.46668 -6.75000 -0.89000 -2.66000 -7.26000 -1.02000 7.77000 -9.06000 0.66000 4.56000 1.59000 0.00000 0.00000 0.00000 0.09000 0.28000 0.00000 -0.24000 0.00000 -0.29000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_11.PDB 7.62161 -9.49000 -1.02000 -3.13000 -7.38000 -0.98000 6.79000 -9.66000 0.67000 4.47000 1.59000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.54000 0.00000 -0.35000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_12.PDB 8.32379 -6.56000 -0.94000 -1.81000 -6.86000 -0.94000 6.72000 -8.84000 0.88000 4.17000 1.81000 0.00000 0.00000 0.00000 0.05000 0.45000 0.00000 -0.26000 0.00000 -0.54000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_13.PDB 8.18360 -8.01000 -1.01000 -1.87000 -7.14000 -0.86000 6.22000 -9.55000 1.47000 3.85000 1.61000 0.00000 0.00000 0.00000 0.04000 0.46000 0.00000 -0.36000 0.00000 -0.40000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_14.PDB 8.12661 -8.35000 -1.00000 -2.71000 -7.32000 -1.14000 7.39000 -9.27000 0.61000 3.99000 1.61000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.22000 0.00000 -0.39000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_15.PDB 9.02056 -7.52000 -1.02000 -2.69000 -7.77000 -1.12000 8.23000 -9.71000 0.54000 4.70000 1.86000 0.00000 0.00000 0.00000 0.08000 0.62000 0.00000 -0.27000 0.00000 -0.34000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_16.PDB 6.76196 -6.89000 -0.98000 -3.56000 -6.03000 -0.78000 6.45000 -7.56000 0.49000 4.18000 1.47000 0.00000 0.00000 0.00000 0.05000 0.32000 0.00000 -0.33000 0.00000 -0.29000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_17.PDB 8.90167 -6.94000 -0.97000 -1.77000 -7.06000 -0.84000 6.98000 -9.02000 0.37000 4.03000 1.71000 0.00000 0.00000 0.00000 0.17000 0.50000 0.00000 -0.22000 0.00000 -0.32000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_18.PDB 8.70076 -7.41000 -0.99000 -2.66000 -7.64000 -1.15000 8.14000 -9.44000 0.48000 4.50000 1.92000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.30000 0.00000 -0.39000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_19.PDB 7.01114 -7.80000 -1.01000 -3.01000 -6.35000 -0.98000 6.27000 -8.07000 0.67000 4.07000 1.17000 0.00000 0.00000 0.00000 0.03000 0.35000 0.00000 -0.23000 0.00000 -0.36000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_20.PDB 9.17241 -6.37000 -0.99000 -2.72000 -7.65000 -1.17000 8.09000 -9.47000 1.26000 4.60000 2.28000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.31000 0.00000 -0.40000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_21.PDB 7.88188 -8.34000 -0.99000 -2.65000 -7.40000 -1.19000 7.36000 -9.43000 0.86000 4.10000 1.68000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.21000 0.00000 -0.50000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_22.PDB 7.81846 -8.24000 -1.02000 -1.91000 -6.81000 -0.88000 6.15000 -9.05000 0.51000 3.68000 1.69000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.22000 0.00000 -0.41000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_23.PDB 8.26451 -7.89000 -1.01000 -1.81000 -6.94000 -1.02000 6.68000 -9.02000 0.40000 3.98000 1.64000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.21000 0.00000 -0.63000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_24.PDB 7.22579 -6.48000 -1.02000 -1.78000 -6.13000 -0.96000 6.09000 -7.89000 0.49000 3.45000 1.92000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.14000 0.00000 -0.56000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_25.PDB 8.86554 -6.52000 -0.98000 -2.74000 -7.47000 -1.18000 7.83000 -9.33000 1.43000 4.60000 2.01000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.24000 0.00000 -0.59000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_26.PDB 7.63444 -6.64000 -0.99000 -1.85000 -7.58000 -0.87000 7.64000 -9.76000 0.56000 4.78000 2.09000 0.00000 0.00000 0.00000 0.03000 0.79000 0.00000 -0.27000 0.00000 -0.43000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_27.PDB 7.61641 -6.38000 -1.03000 -1.90000 -6.90000 -0.87000 6.95000 -8.84000 0.41000 4.46000 1.90000 0.00000 0.00000 0.00000 0.02000 0.69000 0.00000 -0.20000 0.00000 -0.39000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_28.PDB 7.61039 -5.86000 -0.97000 -1.86000 -6.61000 -0.97000 6.99000 -8.23000 0.43000 4.06000 1.80000 0.00000 0.00000 0.00000 0.15000 0.44000 0.00000 -0.09000 0.00000 -0.55000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_29.PDB 8.30102 -7.44000 -1.02000 -2.76000 -7.24000 -1.15000 6.95000 -9.39000 1.81000 4.21000 1.83000 0.00000 0.00000 0.00000 0.01000 0.49000 0.00000 -0.20000 0.00000 -0.50000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-7_30.PDB 7.86814 -7.69000 -0.92000 -2.57000 -8.00000 -1.14000 8.14000 -10.09000 0.85000 4.95000 1.77000 0.00000 0.00000 0.00000 0.05000 0.71000 0.00000 -0.34000 0.00000 -0.38000 0.00000 2.38000 64.00000