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-23_1.PDB 6.41174 -4.95000 -1.38000 -2.75000 -6.24000 -1.06000 6.93000 -7.69000 2.22000 4.44000 1.96000 0.00000 0.00000 0.00000 0.05000 0.78000 0.00000 -0.73000 0.00000 -0.70000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_2.PDB 5.37695 -4.51000 -1.44000 -1.25000 -6.45000 -1.17000 7.06000 -7.90000 2.07000 3.62000 2.07000 0.00000 0.00000 0.00000 0.09000 0.80000 0.00000 -0.39000 0.00000 -0.83000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_3.PDB 7.13540 -4.45000 -1.39000 -1.22000 -6.67000 -0.26000 6.54000 -8.84000 2.16000 3.62000 2.04000 0.00000 0.00000 0.00000 0.12000 0.73000 0.00000 -0.30000 0.00000 -0.25000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_4.PDB 6.33446 -5.34000 -1.34000 -2.79000 -6.13000 -1.13000 6.57000 -7.60000 1.81000 4.41000 2.01000 0.00000 0.00000 0.00000 0.10000 0.78000 0.00000 -0.50000 0.00000 -0.75000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_5.PDB 7.31025 -4.98000 -1.34000 -2.87000 -5.84000 -1.21000 6.59000 -7.07000 2.12000 4.25000 1.85000 0.00000 0.00000 0.00000 0.06000 0.82000 0.00000 -0.70000 0.00000 -0.82000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_6.PDB 6.81087 -4.85000 -1.34000 -1.31000 -7.19000 -0.30000 6.99000 -9.36000 2.74000 3.73000 1.99000 0.00000 0.00000 0.00000 0.05000 0.86000 0.00000 -0.59000 0.00000 -0.28000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_7.PDB 6.51232 -5.35000 -1.36000 -2.92000 -6.04000 -1.07000 6.39000 -7.45000 2.06000 4.45000 2.02000 0.00000 0.00000 0.00000 0.07000 0.80000 0.00000 -0.82000 0.00000 -0.69000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_8.PDB 5.97921 -5.29000 -1.38000 -2.86000 -6.07000 -1.17000 6.50000 -7.45000 1.98000 4.44000 2.07000 0.00000 0.00000 0.00000 0.13000 0.85000 0.00000 -0.71000 0.00000 -0.80000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_9.PDB 6.40858 -4.75000 -1.40000 -1.26000 -6.20000 -0.25000 5.94000 -8.17000 2.09000 3.19000 1.82000 0.00000 0.00000 0.00000 0.05000 0.71000 0.00000 -0.30000 0.00000 -0.25000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_10.PDB 6.99007 -4.51000 -1.40000 -1.24000 -6.61000 -0.33000 6.48000 -8.70000 2.13000 3.55000 2.04000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -0.24000 0.00000 -0.32000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_11.PDB 6.81746 -5.10000 -1.35000 -3.73000 -5.82000 -1.49000 6.90000 -6.95000 2.11000 5.12000 1.62000 0.00000 0.00000 0.00000 0.10000 0.74000 0.00000 -0.39000 0.00000 -1.22000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_12.PDB 7.96557 -4.53000 -1.33000 -2.88000 -6.05000 -1.03000 6.61000 -7.35000 2.25000 4.46000 2.00000 0.00000 0.00000 0.00000 0.13000 0.80000 0.00000 -0.62000 0.00000 -0.72000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_13.PDB 6.50807 -4.36000 -1.35000 -1.30000 -6.44000 -0.28000 6.34000 -8.20000 2.23000 3.25000 2.14000 0.00000 0.00000 0.00000 0.04000 0.79000 0.00000 -0.54000 0.00000 -0.24000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_14.PDB 6.04525 -5.56000 -1.40000 -3.85000 -6.02000 -1.67000 7.53000 -7.14000 2.15000 4.20000 2.02000 0.00000 0.00000 0.00000 0.09000 0.86000 0.00000 -0.36000 0.00000 -1.09000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_15.PDB 7.29994 -5.37000 -1.35000 -2.90000 -5.91000 -1.11000 6.51000 -7.30000 1.98000 4.28000 1.94000 0.00000 0.00000 0.00000 0.05000 0.77000 0.00000 -0.78000 0.00000 -0.80000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_16.PDB 6.60878 -4.56000 -1.31000 -1.27000 -6.28000 -0.38000 6.41000 -8.14000 1.98000 3.35000 1.96000 0.00000 0.00000 0.00000 0.05000 0.81000 0.00000 -0.57000 0.00000 -0.36000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_17.PDB 6.59241 -5.15000 -1.39000 -2.88000 -6.00000 -1.05000 6.48000 -7.41000 1.98000 4.32000 2.04000 0.00000 0.00000 0.00000 0.09000 0.78000 0.00000 -0.60000 0.00000 -0.73000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_18.PDB 7.84189 -3.84000 -1.36000 -2.88000 -6.28000 -1.08000 7.64000 -7.38000 3.47000 3.65000 1.79000 0.00000 0.00000 0.00000 0.05000 0.76000 0.00000 -0.71000 0.00000 -0.74000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_19.PDB 6.66747 -4.80000 -1.35000 -2.89000 -6.05000 -1.08000 6.64000 -7.42000 2.31000 4.23000 2.30000 0.00000 0.00000 0.00000 0.08000 0.85000 0.00000 -0.78000 0.00000 -0.79000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_20.PDB 6.49221 -4.82000 -1.31000 -2.85000 -6.41000 -1.23000 7.03000 -7.73000 2.20000 4.55000 2.31000 0.00000 0.00000 0.00000 0.05000 0.83000 0.00000 -0.60000 0.00000 -0.82000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_21.PDB 7.04114 -5.87000 -1.70000 -3.10000 -6.44000 -1.25000 8.17000 -7.48000 1.91000 3.37000 1.88000 0.00000 0.00000 0.00000 0.04000 0.80000 0.00000 -0.60000 0.00000 -0.66000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_22.PDB 7.27432 -5.20000 -0.72000 -2.29000 -6.04000 -1.02000 5.84000 -8.34000 2.25000 4.51000 1.91000 0.00000 0.00000 0.00000 0.04000 0.62000 0.00000 -0.62000 0.00000 -0.72000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_23.PDB 7.99594 -5.60000 -1.57000 -1.45000 -6.02000 -0.28000 5.87000 -7.93000 1.30000 3.19000 1.83000 0.00000 0.00000 0.00000 0.04000 0.74000 0.00000 -0.33000 0.00000 -0.25000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_24.PDB 6.70608 -4.57000 -1.33000 -2.06000 -5.94000 -0.80000 6.42000 -7.53000 2.24000 3.97000 1.61000 0.00000 0.00000 0.00000 0.04000 0.74000 0.00000 -0.41000 0.00000 -0.79000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_25.PDB 6.53701 -4.46000 -1.39000 -1.22000 -6.67000 -0.34000 6.58000 -8.77000 2.16000 3.53000 2.26000 0.00000 0.00000 0.00000 0.05000 0.73000 0.00000 -0.34000 0.00000 -0.31000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_26.PDB 8.48750 -4.15000 -1.36000 -1.25000 -6.26000 -0.36000 6.27000 -8.12000 2.13000 3.40000 2.06000 0.00000 0.00000 0.00000 0.10000 0.72000 0.00000 -0.42000 0.00000 -0.34000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_27.PDB 6.41832 -5.31000 -0.72000 -2.29000 -6.08000 -1.11000 5.97000 -8.26000 2.11000 4.64000 1.83000 0.00000 0.00000 0.00000 0.05000 0.69000 0.00000 -0.73000 0.00000 -0.72000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_28.PDB 7.45742 -5.08000 -1.36000 -3.38000 -5.55000 -1.57000 6.55000 -6.56000 2.18000 4.80000 1.56000 0.00000 0.00000 0.00000 0.05000 0.71000 0.00000 -0.54000 0.00000 -1.25000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_29.PDB 6.88651 -4.57000 -1.35000 -1.34000 -5.97000 -1.13000 6.42000 -7.37000 2.08000 3.18000 2.10000 0.00000 0.00000 0.00000 0.06000 0.73000 0.00000 -0.44000 0.00000 -0.81000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-23_30.PDB 6.43668 -4.87000 -1.33000 -2.86000 -5.59000 -1.18000 6.20000 -6.80000 1.91000 4.05000 1.94000 0.00000 0.00000 0.00000 0.09000 0.80000 0.00000 -0.46000 0.00000 -0.85000 0.00000 2.38000 63.00000