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-12_1.PDB 5.71121 -4.69000 -0.11000 -2.45000 -4.67000 -2.04000 5.26000 -5.76000 0.37000 4.48000 1.62000 0.00000 0.00000 0.00000 0.01000 0.51000 0.00000 -0.28000 0.00000 -1.12000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_2.PDB 5.90081 -4.94000 -0.89000 -2.55000 -4.78000 -1.73000 6.34000 -5.76000 0.50000 3.81000 1.73000 0.00000 0.00000 0.00000 0.01000 0.51000 0.00000 -0.67000 0.00000 -0.96000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_3.PDB 6.52991 -4.39000 -0.11000 -2.45000 -4.54000 -1.82000 5.13000 -5.61000 0.31000 4.32000 1.64000 0.00000 0.00000 0.00000 0.00000 0.48000 0.00000 -0.21000 0.00000 -1.05000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_4.PDB 5.69238 -5.03000 -0.15000 -2.38000 -4.86000 -2.20000 5.58000 -5.95000 0.36000 4.60000 1.57000 0.00000 0.00000 0.00000 0.02000 0.57000 0.00000 -0.38000 0.00000 -1.23000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_5.PDB 3.52338 -5.10000 -0.96000 -3.66000 -4.68000 -1.52000 6.53000 -5.71000 0.32000 4.41000 1.60000 0.00000 0.00000 0.00000 0.01000 0.44000 0.00000 -0.55000 0.00000 -0.89000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_6.PDB 6.44273 -4.50000 -0.13000 -2.48000 -4.58000 -2.05000 5.50000 -5.55000 0.38000 4.35000 1.50000 0.00000 0.00000 0.00000 0.01000 0.50000 0.00000 -0.21000 0.00000 -1.23000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_7.PDB 5.78271 -4.53000 -0.88000 -2.54000 -4.63000 -1.45000 5.99000 -5.56000 0.48000 3.61000 1.86000 0.00000 0.00000 0.00000 0.01000 0.47000 0.00000 -0.62000 0.00000 -0.81000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_8.PDB 5.76612 -4.78000 -0.90000 -2.66000 -4.69000 -1.75000 6.23000 -5.68000 0.38000 3.91000 1.85000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.54000 0.00000 -0.94000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_9.PDB 6.43114 -4.93000 -0.15000 -4.06000 -5.34000 -1.55000 6.80000 -6.44000 0.43000 5.25000 1.44000 0.00000 0.00000 0.00000 0.01000 0.61000 0.00000 -0.32000 0.00000 -1.00000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_10.PDB 5.63394 -3.91000 -0.08000 -1.88000 -4.36000 -1.74000 4.89000 -5.38000 0.31000 3.97000 1.67000 0.00000 0.00000 0.00000 0.00000 0.47000 0.00000 -0.23000 0.00000 -1.08000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_11.PDB 6.30941 -4.52000 -0.15000 -3.31000 -5.33000 -1.69000 6.73000 -6.37000 0.44000 4.96000 1.38000 0.00000 0.00000 0.00000 0.01000 0.62000 0.00000 -0.15000 0.00000 -1.03000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_12.PDB 6.05150 -4.78000 -0.16000 -3.16000 -5.44000 -1.66000 6.90000 -6.56000 0.47000 4.88000 1.30000 0.00000 0.00000 0.00000 0.01000 0.63000 0.00000 -0.34000 0.00000 -1.02000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_13.PDB 5.63331 -4.97000 -0.85000 -2.59000 -4.90000 -1.92000 6.52000 -5.88000 0.43000 3.99000 1.91000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.61000 0.00000 -1.09000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_14.PDB 6.16693 -5.07000 -0.20000 -3.44000 -5.36000 -1.72000 6.73000 -6.45000 0.41000 4.95000 1.37000 0.00000 0.00000 0.00000 0.01000 0.63000 0.00000 -0.29000 0.00000 -1.09000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_15.PDB 5.82242 -4.27000 -0.21000 -2.40000 -4.49000 -1.95000 5.24000 -5.55000 0.33000 4.28000 1.78000 0.00000 0.00000 0.00000 0.00000 0.45000 0.00000 -0.16000 0.00000 -1.14000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_16.PDB 5.64785 -4.80000 -0.80000 -2.63000 -4.72000 -1.84000 6.34000 -5.68000 0.32000 3.95000 1.78000 0.00000 0.00000 0.00000 0.01000 0.42000 0.00000 -0.45000 0.00000 -1.06000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_17.PDB 6.07124 -4.96000 -0.22000 -3.61000 -5.22000 -1.79000 6.70000 -6.29000 0.45000 5.15000 1.31000 0.00000 0.00000 0.00000 0.01000 0.60000 0.00000 -0.30000 0.00000 -1.15000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_18.PDB 6.29037 -3.81000 -0.15000 -3.77000 -5.33000 -1.85000 7.20000 -6.29000 0.81000 5.36000 1.73000 0.00000 0.00000 0.00000 0.02000 0.69000 0.00000 -0.31000 0.00000 -1.22000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_19.PDB 5.99680 -5.71000 -0.84000 -4.71000 -5.60000 -1.63000 7.80000 -6.67000 0.46000 5.49000 1.37000 0.00000 0.00000 0.00000 0.01000 0.55000 0.00000 -0.41000 0.00000 -0.98000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_20.PDB 5.99696 -5.36000 -0.93000 -3.96000 -5.58000 -1.58000 7.87000 -6.62000 0.56000 5.03000 1.28000 0.00000 0.00000 0.00000 0.01000 0.60000 0.00000 -0.57000 0.00000 -0.88000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_21.PDB 6.06116 -4.97000 -0.15000 -3.67000 -5.33000 -1.71000 6.74000 -6.46000 0.42000 5.30000 1.21000 0.00000 0.00000 0.00000 0.00000 0.59000 0.00000 -0.29000 0.00000 -1.04000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_22.PDB 3.83194 -5.75000 -1.08000 -2.39000 -4.70000 -0.81000 5.56000 -6.64000 0.39000 3.31000 1.60000 0.00000 0.00000 0.00000 0.01000 0.44000 0.00000 -0.48000 0.00000 -0.51000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_23.PDB 6.03578 -5.51000 -0.09000 -2.12000 -4.70000 -0.81000 4.13000 -6.89000 0.18000 3.90000 1.59000 0.00000 0.00000 0.00000 0.03000 0.43000 0.00000 -0.16000 0.00000 -0.56000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_24.PDB 5.29085 -5.40000 -0.11000 -0.95000 -4.75000 -0.73000 3.81000 -7.05000 0.17000 3.30000 1.51000 0.00000 0.00000 0.00000 0.02000 0.44000 0.00000 -0.09000 0.00000 -0.53000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_25.PDB 6.04896 -5.21000 -0.15000 -3.45000 -5.45000 -1.90000 7.15000 -6.51000 0.45000 5.11000 1.05000 0.00000 0.00000 0.00000 0.01000 0.64000 0.00000 -0.32000 0.00000 -1.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_26.PDB 5.91595 -4.56000 -0.11000 -2.62000 -4.75000 -1.83000 5.20000 -5.91000 0.40000 4.67000 1.64000 0.00000 0.00000 0.00000 0.01000 0.55000 0.00000 -0.20000 0.00000 -1.05000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_27.PDB 5.68981 -3.93000 -0.11000 -3.18000 -4.61000 -1.83000 5.47000 -5.58000 0.35000 4.70000 2.09000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.14000 0.00000 -1.09000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_28.PDB 6.20619 -4.85000 -0.18000 -3.22000 -5.34000 -1.71000 6.86000 -6.36000 0.52000 4.96000 1.03000 0.00000 0.00000 0.00000 0.00000 0.65000 0.00000 -0.33000 0.00000 -1.08000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_29.PDB 6.02916 -5.26000 -0.13000 -3.86000 -5.40000 -1.78000 6.88000 -6.49000 0.45000 5.44000 1.08000 0.00000 0.00000 0.00000 0.01000 0.57000 0.00000 -0.32000 0.00000 -1.12000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-12_30.PDB 5.81189 -4.35000 -1.00000 -1.92000 -4.63000 -1.42000 6.22000 -5.61000 0.44000 3.29000 1.49000 0.00000 0.00000 0.00000 0.01000 0.49000 0.00000 -0.52000 0.00000 -0.69000 0.00000 2.38000 64.00000