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-21_1.PDB 8.28842 -5.27000 -0.68000 -1.80000 -6.17000 -1.21000 4.90000 -8.58000 4.22000 3.18000 1.40000 0.00000 0.00000 0.00000 0.15000 0.95000 0.00000 -0.20000 0.00000 -0.49000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_2.PDB 8.22161 -6.95000 -0.66000 -1.82000 -5.20000 -0.71000 4.39000 -7.22000 1.83000 2.21000 0.70000 0.00000 0.00000 0.00000 0.09000 0.61000 0.00000 -0.20000 0.00000 -0.34000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_3.PDB 9.73446 -5.84000 -0.63000 -0.57000 -5.28000 -0.37000 4.22000 -7.50000 0.55000 3.07000 1.20000 0.00000 0.00000 0.00000 0.58000 0.82000 0.00000 -0.89000 0.00000 -0.22000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_4.PDB 8.37058 -4.14000 -0.65000 -0.73000 -5.66000 -1.16000 5.31000 -7.48000 2.50000 2.78000 1.65000 0.00000 0.00000 0.00000 0.14000 0.81000 0.00000 -0.34000 0.00000 -0.50000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_5.PDB 8.08337 -5.76000 -0.60000 -1.65000 -5.18000 -0.32000 4.06000 -7.40000 0.58000 3.34000 1.97000 0.00000 0.00000 0.00000 0.50000 0.73000 0.00000 -0.86000 0.00000 -0.22000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_6.PDB 7.64080 -5.45000 -0.65000 -0.56000 -5.34000 -0.30000 4.21000 -7.63000 0.45000 3.00000 1.76000 0.00000 0.00000 0.00000 0.58000 0.81000 0.00000 -0.84000 0.00000 -0.13000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_7.PDB 9.89748 -5.00000 -0.65000 -2.52000 -6.28000 -1.71000 5.92000 -8.37000 3.25000 3.38000 1.95000 0.00000 0.00000 0.00000 0.97000 1.01000 0.00000 -0.38000 0.00000 -0.56000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_8.PDB 9.80183 -6.33000 -0.76000 -1.85000 -5.98000 -0.87000 5.15000 -8.24000 2.00000 3.02000 1.58000 0.00000 0.00000 0.00000 0.32000 0.81000 0.00000 -0.36000 0.00000 -0.34000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_9.PDB 7.12143 -5.60000 -0.70000 -1.60000 -5.10000 -0.75000 4.30000 -7.10000 2.35000 2.51000 1.14000 0.00000 0.00000 0.00000 0.09000 0.61000 0.00000 -0.31000 0.00000 -0.43000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_10.PDB 7.57312 -5.70000 -0.61000 -0.58000 -4.58000 -0.35000 3.68000 -6.59000 0.52000 2.39000 1.32000 0.00000 0.00000 0.00000 0.50000 0.65000 0.00000 -1.08000 0.00000 -0.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_11.PDB 7.74818 -6.94000 -0.66000 -1.76000 -4.89000 -0.64000 4.07000 -6.75000 1.97000 1.95000 0.65000 0.00000 0.00000 0.00000 0.08000 0.57000 0.00000 -0.62000 0.00000 -0.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_12.PDB 8.75699 -5.91000 -0.64000 -0.56000 -4.80000 -0.32000 3.79000 -6.87000 0.52000 2.40000 1.08000 0.00000 0.00000 0.00000 0.55000 0.66000 0.00000 -0.76000 0.00000 -0.29000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_13.PDB 7.85938 -3.93000 -0.63000 -0.76000 -5.15000 -1.08000 4.88000 -6.93000 2.22000 2.60000 1.33000 0.00000 0.00000 0.00000 0.10000 0.66000 0.00000 -0.06000 0.00000 -0.45000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_14.PDB 6.48929 -5.91000 -0.65000 -0.57000 -4.51000 -0.20000 3.43000 -6.53000 0.71000 2.37000 0.94000 0.00000 0.00000 0.00000 0.10000 0.83000 0.00000 -0.83000 0.00000 -0.17000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_15.PDB 6.79933 -4.49000 -0.60000 -0.58000 -3.88000 -0.16000 3.56000 -5.49000 0.45000 1.94000 0.53000 0.00000 0.00000 0.00000 0.44000 0.54000 0.00000 -0.60000 0.00000 -0.09000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_16.PDB 8.88356 -5.23000 -0.61000 -0.57000 -4.98000 -0.28000 4.00000 -7.03000 0.60000 2.88000 1.79000 0.00000 0.00000 0.00000 0.51000 0.82000 0.00000 -1.24000 0.00000 -0.27000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_17.PDB 9.15503 -5.67000 -0.63000 -1.70000 -5.16000 -0.35000 4.56000 -7.15000 0.60000 3.65000 1.51000 0.00000 0.00000 0.00000 0.56000 0.74000 0.00000 -1.37000 0.00000 -0.20000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_18.PDB 8.93182 -5.72000 -0.65000 -0.56000 -5.20000 -0.41000 4.05000 -7.47000 0.60000 2.89000 1.82000 0.00000 0.00000 0.00000 0.50000 0.77000 0.00000 -0.96000 0.00000 -0.32000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_19.PDB 8.52389 -7.36000 -0.66000 -2.27000 -5.31000 -0.37000 4.21000 -7.42000 0.65000 3.35000 1.24000 0.00000 0.00000 0.00000 0.55000 0.85000 0.00000 -1.18000 0.00000 -0.15000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_20.PDB 9.26156 -5.72000 -0.65000 -2.60000 -6.13000 -1.63000 5.16000 -8.38000 3.49000 3.45000 1.96000 0.00000 0.00000 0.00000 0.87000 0.93000 0.00000 -0.61000 0.00000 -0.65000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_21.PDB 8.85656 -6.61000 -0.61000 -1.70000 -5.24000 -0.37000 4.02000 -7.51000 0.70000 3.42000 1.51000 0.00000 0.00000 0.00000 0.50000 0.73000 0.00000 -1.07000 0.00000 -0.25000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_22.PDB 8.28653 -3.80000 -0.58000 -0.70000 -5.49000 -1.02000 4.98000 -7.37000 2.24000 2.76000 2.01000 0.00000 0.00000 0.00000 0.09000 0.66000 0.00000 -0.27000 0.00000 -0.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_23.PDB 8.02696 -4.81000 -0.64000 -1.68000 -5.08000 -0.33000 4.33000 -7.16000 0.47000 3.37000 2.37000 0.00000 0.00000 0.00000 0.51000 0.72000 0.00000 -0.77000 0.00000 -0.20000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_24.PDB 6.71253 -4.73000 -0.63000 -0.56000 -4.89000 -0.20000 3.86000 -7.09000 0.59000 2.63000 2.19000 0.00000 0.00000 0.00000 0.51000 0.63000 0.00000 -1.01000 0.00000 -0.14000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_25.PDB 8.39161 -6.23000 -0.69000 -0.58000 -5.12000 -0.40000 3.91000 -7.44000 0.61000 2.96000 1.24000 0.00000 0.00000 0.00000 0.47000 0.87000 0.00000 -0.85000 0.00000 -0.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_26.PDB 8.31771 -5.36000 -0.62000 -0.57000 -4.38000 -0.44000 3.80000 -6.22000 0.45000 2.48000 0.99000 0.00000 0.00000 0.00000 0.48000 0.73000 0.00000 -1.06000 0.00000 -0.26000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_27.PDB 8.75651 -4.86000 -0.70000 -0.78000 -5.09000 -0.68000 4.37000 -6.93000 2.01000 2.06000 1.39000 0.00000 0.00000 0.00000 0.06000 0.76000 0.00000 -0.20000 0.00000 -0.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_28.PDB 8.60074 -4.31000 -0.63000 -0.72000 -5.62000 -1.12000 5.02000 -7.51000 2.19000 2.75000 1.95000 0.00000 0.00000 0.00000 0.12000 0.81000 0.00000 -0.29000 0.00000 -0.45000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_29.PDB 8.19007 -5.27000 -0.65000 -1.71000 -5.10000 -0.31000 4.00000 -7.27000 0.61000 3.49000 2.21000 0.00000 0.00000 0.00000 0.51000 0.83000 0.00000 -0.85000 0.00000 -0.19000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-21_30.PDB 9.07496 -5.29000 -0.65000 -1.68000 -4.64000 -0.53000 4.03000 -6.48000 0.45000 3.09000 1.56000 0.00000 0.00000 0.00000 0.50000 0.74000 0.00000 -0.68000 0.00000 -0.26000 0.00000 2.38000 66.00000