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-20_1.PDB 7.94228 -8.63000 -2.73000 -6.80000 -8.72000 -1.52000 11.26000 -10.07000 1.80000 7.38000 2.89000 0.00000 0.00000 0.00000 0.08000 0.35000 0.00000 -0.70000 0.00000 -1.50000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_2.PDB 6.40097 -8.75000 -2.69000 -7.45000 -8.11000 -1.08000 10.21000 -9.48000 2.01000 6.75000 2.66000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.59000 0.00000 -1.02000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_3.PDB 7.27344 -10.69000 -2.74000 -10.07000 -9.13000 -1.90000 11.98000 -10.13000 1.34000 9.61000 2.96000 0.00000 0.00000 0.00000 0.10000 0.52000 0.00000 -1.23000 0.00000 -1.49000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_4.PDB 6.10316 -8.60000 -2.65000 -6.16000 -8.38000 -1.62000 10.78000 -9.73000 1.36000 7.05000 2.91000 0.00000 0.00000 0.00000 0.10000 0.32000 0.00000 -0.78000 0.00000 -1.47000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_5.PDB 7.27642 -9.16000 -3.50000 -8.31000 -9.45000 -1.86000 12.38000 -10.58000 3.13000 8.63000 3.20000 0.00000 0.00000 0.00000 0.10000 0.53000 0.00000 -1.21000 0.00000 -1.70000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_6.PDB 7.54924 -8.13000 -2.44000 -7.37000 -7.75000 -0.96000 9.87000 -8.93000 0.90000 6.75000 2.98000 0.00000 0.00000 0.00000 0.25000 0.34000 0.00000 -0.61000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_7.PDB 7.59173 -7.14000 -2.03000 -3.62000 -8.26000 -1.27000 9.62000 -9.66000 1.81000 5.34000 2.60000 0.00000 0.00000 0.00000 0.10000 0.33000 0.00000 -0.68000 0.00000 -1.09000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_8.PDB 7.12155 -9.61000 -2.68000 -6.72000 -8.20000 -1.49000 10.11000 -9.69000 0.85000 7.24000 3.09000 0.00000 0.00000 0.00000 0.07000 0.35000 0.00000 -0.77000 0.00000 -1.41000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_9.PDB 5.86450 -6.03000 -2.65000 -10.41000 -9.02000 -1.23000 11.62000 -10.20000 5.40000 9.37000 3.06000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.94000 0.00000 -1.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_10.PDB 7.79588 -6.98000 -2.85000 -3.51000 -8.36000 -1.43000 9.87000 -9.89000 2.86000 5.85000 2.85000 0.00000 0.00000 0.00000 0.14000 0.31000 0.00000 -1.10000 0.00000 -1.41000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_11.PDB 6.61316 -8.42000 -2.03000 -9.54000 -8.99000 -1.39000 11.13000 -10.25000 2.64000 9.18000 3.04000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -1.10000 0.00000 -1.20000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_12.PDB 7.36098 -8.68000 -2.05000 -6.79000 -8.47000 -1.62000 10.67000 -9.91000 0.88000 7.80000 3.04000 0.00000 0.00000 0.00000 0.10000 0.35000 0.00000 -0.75000 0.00000 -1.58000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_13.PDB 6.29552 -9.40000 -2.64000 -7.41000 -8.15000 -1.69000 10.70000 -9.48000 1.15000 7.51000 2.98000 0.00000 0.00000 0.00000 0.07000 0.37000 0.00000 -0.90000 0.00000 -1.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_14.PDB 7.01654 -7.37000 -2.01000 -6.54000 -8.31000 -1.65000 10.22000 -9.90000 2.20000 7.64000 2.99000 0.00000 0.00000 0.00000 0.08000 0.33000 0.00000 -0.48000 0.00000 -1.59000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_15.PDB 6.18554 -7.82000 -2.59000 -7.16000 -8.37000 -1.65000 10.65000 -9.81000 2.64000 7.59000 2.96000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.57000 0.00000 -1.56000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_16.PDB 6.49090 -9.78000 -2.64000 -6.86000 -8.17000 -1.73000 10.39000 -9.58000 0.77000 7.53000 2.81000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.83000 0.00000 -1.53000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_17.PDB 6.38512 -7.02000 -2.67000 -5.86000 -8.47000 -1.09000 10.11000 -10.14000 3.37000 6.57000 2.59000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.51000 0.00000 -0.99000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_18.PDB 6.33169 -9.31000 -2.75000 -4.37000 -8.22000 -1.09000 9.71000 -9.80000 0.85000 5.31000 2.58000 0.00000 0.00000 0.00000 0.05000 0.36000 0.00000 -0.67000 0.00000 -0.90000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_19.PDB 6.87627 -9.65000 -2.49000 -5.01000 -8.57000 -1.84000 10.57000 -10.09000 0.54000 6.67000 2.72000 0.00000 0.00000 0.00000 0.09000 0.32000 0.00000 -0.79000 0.00000 -1.45000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_20.PDB 7.09880 -8.27000 -2.62000 -5.07000 -8.04000 -1.80000 10.69000 -9.23000 0.72000 6.43000 2.91000 0.00000 0.00000 0.00000 0.05000 0.34000 0.00000 -0.66000 0.00000 -1.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_21.PDB 7.95523 -9.33000 -2.72000 -5.84000 -8.58000 -0.99000 10.10000 -10.20000 1.07000 6.51000 2.62000 0.00000 0.00000 0.00000 0.12000 0.45000 0.00000 -0.53000 0.00000 -0.86000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_22.PDB 6.60118 -9.57000 -2.04000 -9.73000 -8.67000 -1.61000 11.08000 -9.75000 1.26000 9.43000 3.03000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -1.35000 0.00000 -1.31000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_23.PDB 6.95478 -8.04000 -1.98000 -4.51000 -8.18000 -1.73000 10.16000 -9.56000 0.69000 6.51000 2.96000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.80000 0.00000 -1.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_24.PDB 7.18648 -9.08000 -2.94000 -7.03000 -9.35000 -1.98000 11.70000 -10.85000 2.57000 8.20000 3.18000 0.00000 0.00000 0.00000 0.06000 0.41000 0.00000 -0.76000 0.00000 -1.88000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_25.PDB 6.17187 -7.97000 -2.66000 -5.87000 -9.21000 -1.25000 11.19000 -10.88000 3.41000 6.54000 2.73000 0.00000 0.00000 0.00000 0.06000 0.55000 0.00000 -0.87000 0.00000 -1.15000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_26.PDB 6.81762 -8.82000 -3.38000 -7.64000 -9.11000 -1.48000 12.40000 -9.84000 0.97000 8.21000 3.18000 0.00000 0.00000 0.00000 0.05000 0.48000 0.00000 -1.12000 0.00000 -1.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_27.PDB 6.98230 -9.46000 -3.00000 -6.02000 -8.00000 -1.42000 9.61000 -9.48000 1.56000 6.20000 2.64000 0.00000 0.00000 0.00000 0.07000 0.40000 0.00000 -0.53000 0.00000 -1.10000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_28.PDB 6.32557 -8.16000 -2.03000 -6.08000 -8.04000 -1.72000 9.81000 -9.65000 1.45000 7.30000 2.91000 0.00000 0.00000 0.00000 0.03000 0.31000 0.00000 -0.48000 0.00000 -1.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_29.PDB 6.40345 -8.34000 -2.71000 -5.83000 -8.83000 -1.29000 10.86000 -10.50000 1.95000 6.86000 2.87000 0.00000 0.00000 0.00000 0.06000 0.47000 0.00000 -0.66000 0.00000 -1.14000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-20_30.PDB 7.65578 -9.38000 -1.99000 -7.47000 -9.04000 -2.04000 11.52000 -10.33000 1.18000 8.38000 3.19000 0.00000 0.00000 0.00000 0.08000 0.47000 0.00000 -1.08000 0.00000 -1.77000 0.00000 2.38000 65.00000