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-15_1.PDB 7.43531 -2.38000 -1.07000 -2.63000 -5.31000 -0.47000 6.10000 -6.69000 2.44000 3.48000 2.49000 0.00000 0.00000 0.00000 0.10000 0.56000 0.00000 -0.46000 0.00000 -0.35000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_2.PDB 8.54599 -3.24000 -1.05000 -2.71000 -5.83000 -0.59000 6.90000 -7.35000 1.44000 3.95000 2.77000 0.00000 0.00000 0.00000 0.17000 0.57000 0.00000 -0.56000 0.00000 -0.37000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_3.PDB 7.73070 -4.02000 -1.00000 -2.61000 -5.45000 -0.64000 6.20000 -6.93000 1.39000 3.31000 2.48000 0.00000 0.00000 0.00000 0.14000 0.66000 0.00000 -0.47000 0.00000 -0.44000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_4.PDB 6.79519 -3.09000 -1.05000 -1.12000 -5.25000 -0.64000 5.48000 -6.83000 2.27000 2.53000 2.49000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.49000 0.00000 -0.57000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_5.PDB 5.13843 -4.18000 -1.03000 -2.67000 -5.49000 -0.43000 5.94000 -7.04000 1.40000 3.54000 2.49000 0.00000 0.00000 0.00000 0.15000 0.63000 0.00000 -0.73000 0.00000 -0.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_6.PDB 6.18276 -3.60000 -0.99000 -2.52000 -5.56000 -0.53000 6.40000 -7.07000 1.09000 3.48000 2.64000 0.00000 0.00000 0.00000 0.16000 0.67000 0.00000 -0.35000 0.00000 -0.34000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_7.PDB 7.52256 -3.35000 -1.01000 -1.99000 -6.18000 -1.42000 7.52000 -7.30000 1.80000 3.75000 2.49000 0.00000 0.00000 0.00000 0.16000 0.74000 0.00000 -0.59000 0.00000 -0.58000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_8.PDB 7.47821 -2.78000 -1.05000 -1.12000 -5.28000 -0.62000 5.67000 -6.83000 2.37000 2.50000 2.44000 0.00000 0.00000 0.00000 0.14000 0.69000 0.00000 -0.48000 0.00000 -0.52000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_9.PDB 7.24462 -3.23000 -1.01000 -1.08000 -5.20000 -0.56000 5.46000 -6.79000 1.53000 2.43000 2.76000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -0.45000 0.00000 -0.46000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_10.PDB 5.53972 -3.69000 -0.97000 -2.59000 -5.45000 -0.77000 6.49000 -6.80000 1.44000 3.34000 2.55000 0.00000 0.00000 0.00000 0.01000 0.77000 0.00000 -0.43000 0.00000 -0.50000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_11.PDB 5.86508 -3.37000 -1.05000 -2.72000 -5.56000 -1.20000 6.54000 -6.70000 2.59000 4.03000 2.47000 0.00000 0.00000 0.00000 0.01000 0.65000 0.00000 -0.94000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_12.PDB 6.39353 -4.26000 -1.05000 -2.78000 -5.30000 -0.74000 5.86000 -6.74000 1.66000 2.85000 2.98000 0.00000 0.00000 0.00000 0.01000 0.55000 0.00000 -0.43000 0.00000 -0.58000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_13.PDB 6.21626 -4.00000 -1.01000 -2.02000 -6.14000 -1.73000 7.20000 -7.16000 1.84000 3.71000 2.66000 0.00000 0.00000 0.00000 0.04000 0.80000 0.00000 -0.51000 0.00000 -0.87000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_14.PDB 7.03126 -4.18000 -1.06000 -1.11000 -5.10000 -0.80000 5.34000 -6.63000 1.33000 2.42000 2.78000 0.00000 0.00000 0.00000 0.01000 0.50000 0.00000 -0.61000 0.00000 -0.76000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_15.PDB 6.29090 -4.11000 -1.04000 -1.14000 -5.84000 -0.81000 6.24000 -7.46000 1.79000 2.94000 2.30000 0.00000 0.00000 0.00000 0.02000 0.62000 0.00000 -0.48000 0.00000 -0.61000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_16.PDB 4.03360 -2.99000 -1.05000 -2.62000 -5.08000 -0.66000 5.71000 -6.44000 2.32000 3.31000 2.76000 0.00000 0.00000 0.00000 0.01000 0.50000 0.00000 -0.65000 0.00000 -0.60000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_17.PDB 7.81196 -3.89000 -1.05000 -2.04000 -5.95000 -1.56000 7.26000 -7.09000 1.55000 3.67000 2.65000 0.00000 0.00000 0.00000 0.07000 0.62000 0.00000 -0.64000 0.00000 -0.75000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_18.PDB 6.59392 -5.71000 -1.06000 -3.34000 -6.30000 -1.21000 7.06000 -8.29000 1.32000 4.80000 2.63000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.48000 0.00000 -0.90000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_19.PDB 7.02215 -3.65000 -0.98000 -1.03000 -5.16000 -0.64000 5.27000 -6.87000 2.11000 2.37000 2.34000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.50000 0.00000 -0.58000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_20.PDB 6.43245 -3.30000 -1.05000 -3.50000 -5.81000 -1.50000 7.15000 -6.90000 2.51000 5.10000 2.48000 0.00000 0.00000 0.00000 0.21000 0.58000 0.00000 -0.92000 0.00000 -1.06000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_21.PDB 6.77828 -4.41000 -1.03000 -3.52000 -6.98000 -1.83000 9.08000 -9.03000 1.52000 5.20000 3.49000 0.00000 0.00000 0.00000 0.31000 0.55000 0.00000 -0.43000 0.00000 -1.17000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_22.PDB 7.33833 -5.64000 -1.06000 -2.89000 -6.76000 -2.10000 7.52000 -8.12000 1.75000 5.10000 2.36000 0.00000 0.00000 0.00000 0.22000 0.93000 0.00000 -0.40000 0.00000 -1.26000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_23.PDB 5.78747 -2.93000 -1.05000 -3.63000 -6.53000 -1.09000 7.65000 -8.40000 2.46000 5.46000 3.33000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -0.37000 0.00000 -0.81000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_24.PDB 3.76485 -2.83000 -1.05000 -2.56000 -5.11000 -0.58000 5.78000 -6.46000 2.36000 3.28000 2.78000 0.00000 0.00000 0.00000 0.00000 0.50000 0.00000 -0.76000 0.00000 -0.52000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_25.PDB 7.01885 -3.05000 -0.44000 -2.09000 -5.59000 -0.67000 6.40000 -7.27000 1.37000 3.81000 2.35000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.48000 0.00000 -0.48000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_26.PDB 8.55986 -3.15000 -1.07000 -2.85000 -6.20000 -1.86000 7.67000 -7.32000 2.57000 4.67000 2.74000 0.00000 0.00000 0.00000 0.15000 0.61000 0.00000 -0.58000 0.00000 -1.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_27.PDB 5.80245 -3.54000 -1.05000 -2.75000 -5.67000 -1.14000 6.48000 -6.89000 2.48000 3.93000 2.67000 0.00000 0.00000 0.00000 0.02000 0.64000 0.00000 -0.92000 0.00000 -0.71000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_28.PDB 7.59858 -3.28000 -1.05000 -2.90000 -6.12000 -1.96000 7.55000 -7.25000 2.43000 4.70000 2.67000 0.00000 0.00000 0.00000 0.17000 0.66000 0.00000 -0.36000 0.00000 -1.16000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_29.PDB 6.72855 -3.85000 -1.04000 -2.70000 -5.25000 -0.61000 5.87000 -6.63000 1.44000 3.43000 2.73000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -0.57000 0.00000 -0.53000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-15_30.PDB 7.00350 -3.16000 -1.02000 -2.03000 -5.64000 -1.15000 6.35000 -7.12000 2.51000 3.82000 2.62000 0.00000 0.00000 0.00000 0.29000 0.68000 0.00000 -0.79000 0.00000 -0.99000 0.00000 2.38000 65.00000