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-1_1.PDB 10.83252 -9.03000 -1.44000 -2.89000 -8.86000 -2.26000 10.01000 -10.74000 0.77000 5.33000 2.98000 0.00000 0.00000 0.00000 0.49000 0.68000 0.00000 -1.09000 0.00000 -1.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_2.PDB 8.83236 -10.83000 -1.48000 -2.96000 -9.05000 -2.81000 10.04000 -10.81000 1.00000 5.05000 2.83000 0.00000 0.00000 0.00000 0.62000 0.74000 0.00000 -1.74000 0.00000 -1.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_3.PDB 10.70950 -10.33000 -1.35000 -6.48000 -9.53000 -3.15000 11.70000 -10.98000 1.39000 6.68000 2.96000 0.00000 0.00000 0.00000 0.83000 0.75000 0.00000 -0.85000 0.00000 -1.56000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_4.PDB 9.17915 -9.61000 -1.42000 -3.30000 -9.42000 -2.98000 10.67000 -11.15000 0.89000 6.16000 2.81000 0.00000 0.00000 0.00000 0.64000 0.72000 0.00000 -0.85000 0.00000 -1.65000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_5.PDB 9.50481 -10.17000 -1.37000 -7.36000 -9.47000 -2.95000 11.79000 -11.04000 1.22000 7.39000 3.09000 0.00000 0.00000 0.00000 0.79000 0.73000 0.00000 -0.88000 0.00000 -1.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_6.PDB 8.77575 -6.96000 -1.52000 -4.75000 -9.18000 -3.02000 10.90000 -10.70000 3.18000 6.53000 2.97000 0.00000 0.00000 0.00000 0.78000 0.63000 0.00000 -0.69000 0.00000 -1.46000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_7.PDB 10.98336 -9.79000 -1.59000 -2.95000 -11.14000 -2.27000 11.98000 -13.55000 1.87000 6.61000 3.31000 0.00000 0.00000 0.00000 0.52000 1.02000 0.00000 -1.28000 0.00000 -1.29000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_8.PDB 8.09630 -10.08000 -1.55000 -7.82000 -9.42000 -3.06000 11.71000 -11.00000 1.91000 7.55000 2.99000 0.00000 0.00000 0.00000 0.79000 0.73000 0.00000 -0.72000 0.00000 -1.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_9.PDB 9.06554 -8.19000 -1.46000 -2.91000 -9.55000 -1.85000 10.56000 -11.54000 1.13000 5.78000 3.06000 0.00000 0.00000 0.00000 0.45000 0.65000 0.00000 -0.86000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_10.PDB 10.52572 -9.11000 -1.49000 -4.12000 -9.60000 -2.88000 11.08000 -11.28000 1.49000 6.16000 2.86000 0.00000 0.00000 0.00000 0.83000 0.75000 0.00000 -0.64000 0.00000 -1.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_11.PDB 11.58293 -10.89000 -3.15000 -5.42000 -10.08000 -2.77000 12.06000 -11.54000 1.53000 7.57000 3.52000 0.00000 0.00000 0.00000 0.51000 0.90000 0.00000 -1.68000 0.00000 -1.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_12.PDB 10.52596 -11.77000 -1.51000 -5.78000 -10.02000 -2.88000 11.72000 -11.68000 1.29000 5.97000 2.83000 0.00000 0.00000 0.00000 0.81000 0.71000 0.00000 -1.05000 0.00000 -1.47000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_13.PDB 10.11459 -10.34000 -1.44000 -2.96000 -8.86000 -3.07000 10.09000 -10.48000 0.69000 5.51000 2.68000 0.00000 0.00000 0.00000 0.52000 0.71000 0.00000 -1.23000 0.00000 -1.78000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_14.PDB 10.84025 -9.84000 -1.49000 -3.94000 -9.65000 -2.32000 10.70000 -11.64000 0.99000 6.49000 2.98000 0.00000 0.00000 0.00000 0.81000 0.72000 0.00000 -1.56000 0.00000 -1.23000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_15.PDB 10.44378 -11.67000 -1.40000 -5.41000 -9.46000 -2.94000 10.57000 -11.21000 1.03000 6.20000 2.76000 0.00000 0.00000 0.00000 0.96000 0.76000 0.00000 -1.33000 0.00000 -1.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_16.PDB 8.58638 -8.47000 -1.49000 -3.10000 -9.06000 -2.05000 9.83000 -10.92000 1.62000 5.59000 2.71000 0.00000 0.00000 0.00000 0.52000 0.67000 0.00000 -0.80000 0.00000 -1.30000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_17.PDB 9.75314 -11.09000 -1.57000 -6.87000 -9.79000 -3.34000 11.92000 -11.36000 1.89000 7.22000 2.79000 0.00000 0.00000 0.00000 0.74000 0.73000 0.00000 -1.04000 0.00000 -1.68000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_18.PDB 9.67601 -10.33000 -1.42000 -7.59000 -9.38000 -3.03000 11.70000 -10.95000 1.21000 7.61000 2.90000 0.00000 0.00000 0.00000 0.75000 0.73000 0.00000 -0.84000 0.00000 -1.29000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_19.PDB 9.24900 -9.67000 -1.38000 -1.51000 -8.31000 -2.20000 9.12000 -10.09000 0.59000 3.83000 2.56000 0.00000 0.00000 0.00000 0.64000 0.60000 0.00000 -1.56000 0.00000 -1.35000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_20.PDB 11.63084 -12.69000 -1.59000 -4.45000 -11.07000 -3.70000 12.01000 -13.22000 1.60000 6.06000 3.20000 0.00000 0.00000 0.00000 0.72000 1.17000 0.00000 -0.50000 0.00000 -1.77000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_21.PDB 11.00203 -12.54000 -1.56000 -6.41000 -10.51000 -3.32000 11.57000 -12.81000 1.71000 7.19000 3.04000 0.00000 0.00000 0.00000 0.70000 1.00000 0.00000 -0.60000 0.00000 -1.55000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_22.PDB 10.48097 -11.60000 -1.44000 -5.57000 -9.49000 -3.47000 11.40000 -10.95000 1.01000 5.85000 2.72000 0.00000 0.00000 0.00000 0.99000 0.76000 0.00000 -1.02000 0.00000 -1.64000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_23.PDB 9.17679 -8.25000 -1.64000 -2.83000 -9.93000 -2.20000 10.64000 -12.41000 2.82000 5.65000 3.19000 0.00000 0.00000 0.00000 0.65000 0.84000 0.00000 -1.05000 0.00000 -1.14000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_24.PDB 9.67485 -11.06000 -1.44000 -6.22000 -9.10000 -2.96000 10.90000 -10.66000 0.87000 6.09000 2.70000 0.00000 0.00000 0.00000 0.85000 0.70000 0.00000 -0.75000 0.00000 -1.36000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_25.PDB 8.66450 -9.60000 -1.52000 -1.59000 -9.22000 -2.30000 9.51000 -11.66000 1.67000 4.29000 2.98000 0.00000 0.00000 0.00000 0.80000 0.82000 0.00000 -1.23000 0.00000 -1.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_26.PDB 11.37500 -11.09000 -1.60000 -1.53000 -11.68000 -3.00000 11.81000 -14.59000 2.71000 6.16000 3.38000 0.00000 0.00000 0.00000 0.55000 1.14000 0.00000 -1.71000 0.00000 -1.60000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_27.PDB 8.62959 -9.70000 -1.39000 -6.34000 -9.59000 -3.03000 11.57000 -11.40000 2.12000 6.60000 3.03000 0.00000 0.00000 0.00000 0.82000 0.93000 0.00000 -0.76000 0.00000 -1.35000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_28.PDB 9.44241 -12.65000 -3.15000 -6.80000 -10.16000 -3.50000 12.74000 -11.21000 1.30000 7.72000 3.16000 0.00000 0.00000 0.00000 0.91000 0.89000 0.00000 -1.91000 0.00000 -1.75000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_29.PDB 9.83880 -10.76000 -1.47000 -4.40000 -9.43000 -2.99000 10.46000 -11.48000 0.85000 6.08000 2.97000 0.00000 0.00000 0.00000 0.80000 0.86000 0.00000 -0.78000 0.00000 -1.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-1_30.PDB 9.98890 -10.12000 -1.51000 -6.44000 -9.89000 -2.84000 11.34000 -12.17000 2.21000 6.80000 3.19000 0.00000 0.00000 0.00000 0.94000 0.98000 0.00000 -0.59000 0.00000 -1.18000 0.00000 2.38000 66.00000