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-17_1.PDB 6.79494 -7.45000 -2.91000 -6.02000 -9.63000 -1.31000 11.81000 -11.30000 3.25000 6.57000 3.70000 0.00000 0.00000 0.00000 0.06000 0.48000 0.00000 -0.61000 0.00000 -1.05000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_2.PDB 8.22730 -8.58000 -2.89000 -6.02000 -9.83000 -1.49000 12.05000 -11.36000 2.28000 6.71000 3.69000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.72000 0.00000 -1.10000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_3.PDB 8.27825 -10.06000 -2.94000 -7.61000 -9.46000 -1.55000 11.58000 -10.83000 2.30000 6.93000 3.41000 0.00000 0.00000 0.00000 0.12000 0.43000 0.00000 -0.98000 0.00000 -1.02000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_4.PDB 7.46944 -8.00000 -2.77000 -6.14000 -10.28000 -1.26000 11.93000 -12.12000 3.00000 7.10000 3.78000 0.00000 0.00000 0.00000 0.09000 0.44000 0.00000 -0.51000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_5.PDB 7.97885 -8.72000 -2.86000 -5.97000 -9.19000 -1.69000 11.61000 -10.61000 2.30000 5.62000 3.84000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -0.70000 0.00000 -1.16000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_6.PDB 7.96394 -8.03000 -1.96000 -6.80000 -9.50000 -1.14000 10.84000 -11.42000 2.50000 7.64000 3.64000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.98000 0.00000 -0.95000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_7.PDB 7.96428 -9.22000 -2.93000 -7.65000 -9.37000 -0.98000 11.35000 -11.08000 2.59000 6.34000 3.94000 0.00000 0.00000 0.00000 0.05000 0.49000 0.00000 -0.63000 0.00000 -0.83000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_8.PDB 7.40927 -8.63000 -2.91000 -5.99000 -9.61000 -1.47000 11.51000 -11.20000 2.28000 7.06000 3.62000 0.00000 0.00000 0.00000 0.09000 0.45000 0.00000 -0.95000 0.00000 -1.06000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_9.PDB 7.33542 -6.51000 -2.99000 -6.03000 -9.50000 -1.02000 11.50000 -10.98000 3.65000 6.72000 3.54000 0.00000 0.00000 0.00000 0.05000 0.54000 0.00000 -0.49000 0.00000 -0.97000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_10.PDB 7.35593 -6.20000 -2.94000 -6.12000 -9.43000 -0.52000 11.54000 -11.07000 2.77000 6.74000 3.93000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.63000 0.00000 -0.53000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_11.PDB 7.73889 -9.30000 -2.96000 -5.96000 -9.53000 -1.49000 11.35000 -11.17000 2.46000 6.38000 3.45000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -0.91000 0.00000 -1.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_12.PDB 6.47684 -5.61000 -1.04000 -5.04000 -8.97000 -0.66000 9.65000 -11.30000 2.89000 6.56000 3.48000 0.00000 0.00000 0.00000 0.04000 0.31000 0.00000 -0.56000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_13.PDB 8.41361 -9.16000 -2.96000 -7.77000 -9.17000 -1.79000 11.66000 -10.14000 2.82000 6.94000 3.31000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.86000 0.00000 -1.27000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_14.PDB 7.31178 -9.17000 -2.99000 -6.05000 -9.33000 -1.34000 10.73000 -10.94000 2.40000 6.73000 3.34000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -0.88000 0.00000 -0.92000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_15.PDB 7.15720 -8.74000 -2.87000 -6.11000 -9.22000 -1.13000 10.75000 -10.99000 2.57000 6.36000 3.59000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.86000 0.00000 -0.87000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_16.PDB 7.70233 -6.61000 -2.70000 -7.36000 -9.57000 -0.97000 12.86000 -10.58000 2.51000 7.38000 3.63000 0.00000 0.00000 0.00000 0.08000 0.42000 0.00000 -1.05000 0.00000 -0.83000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_17.PDB 7.31351 -8.44000 -2.85000 -6.30000 -9.94000 -1.46000 11.94000 -11.85000 2.81000 7.03000 3.78000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.51000 0.00000 -1.12000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_18.PDB 7.35207 -6.33000 -2.79000 -5.95000 -9.27000 -1.19000 12.12000 -10.24000 2.72000 6.51000 3.56000 0.00000 0.00000 0.00000 0.07000 0.54000 0.00000 -0.77000 0.00000 -1.09000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_19.PDB 8.00662 -9.60000 -2.88000 -6.09000 -9.23000 -1.06000 10.62000 -11.01000 2.56000 5.38000 3.72000 0.00000 0.00000 0.00000 0.06000 0.47000 0.00000 -0.87000 0.00000 -0.80000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_20.PDB 6.47201 -5.65000 -1.06000 -5.81000 -8.54000 -0.97000 10.21000 -10.05000 2.81000 6.26000 3.44000 0.00000 0.00000 0.00000 0.06000 0.28000 0.00000 -1.18000 0.00000 -0.83000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_21.PDB 8.97019 -9.94000 -2.93000 -6.40000 -10.21000 -1.24000 11.48000 -12.28000 2.12000 7.13000 3.75000 0.00000 0.00000 0.00000 0.11000 0.47000 0.00000 -0.61000 0.00000 -0.86000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_22.PDB 7.72542 -10.11000 -3.76000 -6.86000 -9.68000 -1.31000 11.21000 -11.35000 2.18000 7.26000 3.98000 0.00000 0.00000 0.00000 0.08000 0.68000 0.00000 -0.83000 0.00000 -1.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_23.PDB 7.63000 -7.48000 -2.96000 -6.13000 -9.12000 -1.74000 11.77000 -10.11000 2.66000 6.57000 3.50000 0.00000 0.00000 0.00000 0.11000 0.47000 0.00000 -0.69000 0.00000 -1.33000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_24.PDB 7.30222 -6.41000 -2.80000 -5.91000 -8.88000 -0.99000 11.71000 -9.92000 2.57000 5.69000 3.75000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -0.79000 0.00000 -0.92000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_25.PDB 7.97683 -5.93000 -2.01000 -5.19000 -9.02000 -0.99000 11.14000 -10.30000 2.02000 6.09000 3.91000 0.00000 0.00000 0.00000 0.09000 0.45000 0.00000 -0.78000 0.00000 -0.90000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_26.PDB 6.46793 -4.55000 -1.05000 -5.37000 -8.77000 -0.91000 10.50000 -10.18000 2.68000 6.84000 3.26000 0.00000 0.00000 0.00000 0.04000 0.31000 0.00000 -0.78000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_27.PDB 7.08716 -9.84000 -2.93000 -6.06000 -9.51000 -1.30000 10.38000 -11.58000 2.63000 6.69000 3.57000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.95000 0.00000 -0.85000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_28.PDB 7.43014 -6.50000 -1.07000 -4.53000 -8.62000 -0.90000 9.24000 -10.73000 2.67000 5.82000 3.13000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.73000 0.00000 -0.83000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_29.PDB 7.42227 -9.81000 -2.89000 -7.30000 -9.82000 -1.39000 11.52000 -11.84000 2.36000 7.48000 3.87000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -1.02000 0.00000 -0.87000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-17_30.PDB 6.93543 -7.59000 -1.98000 -5.26000 -9.04000 -0.94000 9.58000 -11.28000 2.71000 6.44000 3.74000 0.00000 0.00000 0.00000 0.07000 0.44000 0.00000 -0.81000 0.00000 -0.82000 0.00000 2.38000 65.00000