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-5_1.PDB 9.37653 -9.67000 -1.93000 -5.10000 -9.45000 -2.83000 10.29000 -11.42000 6.45000 2.98000 3.35000 0.00000 0.00000 0.00000 0.51000 1.62000 0.00000 -0.95000 0.00000 -1.57000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_2.PDB 9.58776 -9.07000 -1.30000 -4.87000 -9.83000 -2.73000 9.74000 -12.14000 7.88000 2.80000 3.05000 0.00000 0.00000 0.00000 0.73000 1.88000 0.00000 -0.85000 0.00000 -1.54000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_3.PDB 8.63339 -11.90000 -1.91000 -4.85000 -10.49000 -2.82000 11.48000 -12.71000 5.16000 2.72000 3.41000 0.00000 0.00000 0.00000 0.49000 1.89000 0.00000 -0.82000 0.00000 -1.57000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_4.PDB 8.36694 -6.80000 -1.91000 -3.40000 -8.83000 -3.28000 10.20000 -10.56000 6.39000 4.30000 2.52000 0.00000 0.00000 0.00000 0.36000 1.30000 0.00000 -0.77000 0.00000 -1.81000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_5.PDB 8.09985 -8.18000 -1.33000 -2.90000 -10.94000 -2.77000 11.54000 -13.34000 6.58000 3.86000 2.69000 0.00000 0.00000 0.00000 0.52000 2.06000 0.00000 -0.59000 0.00000 -1.50000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_6.PDB 8.99439 -7.85000 -2.00000 -3.59000 -10.00000 -2.66000 10.88000 -11.99000 6.90000 3.69000 2.72000 0.00000 0.00000 0.00000 0.55000 1.80000 0.00000 -0.89000 0.00000 -1.46000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_7.PDB 9.08335 -6.39000 -1.32000 -2.81000 -9.94000 -2.99000 9.97000 -12.27000 9.01000 3.64000 2.10000 0.00000 0.00000 0.00000 0.53000 1.86000 0.00000 -0.67000 0.00000 -1.64000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_8.PDB 7.69043 -5.97000 -1.27000 -4.21000 -9.64000 -3.37000 10.92000 -11.65000 8.49000 4.93000 2.11000 0.00000 0.00000 0.00000 0.29000 1.41000 0.00000 -0.66000 0.00000 -1.91000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_9.PDB 8.80562 -10.50000 -1.87000 -4.81000 -10.34000 -2.89000 11.55000 -12.55000 5.81000 4.08000 2.45000 0.00000 0.00000 0.00000 0.69000 1.83000 0.00000 -0.89000 0.00000 -1.73000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_10.PDB 8.86825 -8.93000 -1.99000 -3.70000 -10.69000 -2.50000 11.94000 -12.83000 5.23000 3.92000 2.76000 0.00000 0.00000 0.00000 0.90000 1.92000 0.00000 -0.62000 0.00000 -1.36000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_11.PDB 8.70498 -12.20000 -1.31000 -4.94000 -10.96000 -2.83000 11.16000 -13.58000 5.29000 4.52000 2.19000 0.00000 0.00000 0.00000 0.72000 2.01000 0.00000 -0.71000 0.00000 -1.74000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_12.PDB 8.54528 -7.27000 -1.93000 -3.51000 -9.53000 -2.89000 10.71000 -11.51000 7.79000 2.94000 2.72000 0.00000 0.00000 0.00000 0.46000 1.72000 0.00000 -0.94000 0.00000 -1.59000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_13.PDB 9.35855 -8.93000 -1.21000 -2.88000 -9.82000 -1.96000 8.99000 -12.65000 4.63000 5.15000 2.05000 0.00000 0.00000 0.00000 0.31000 1.67000 0.00000 -0.24000 0.00000 -1.31000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_14.PDB 8.23851 -4.63000 -1.22000 -1.21000 -8.48000 -1.34000 8.04000 -11.14000 5.99000 3.54000 2.23000 0.00000 0.00000 0.00000 0.31000 1.43000 0.00000 -0.41000 0.00000 -0.93000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_15.PDB 8.45769 -7.36000 -1.96000 -5.21000 -9.98000 -3.48000 12.81000 -11.70000 5.48000 5.32000 3.37000 0.00000 0.00000 0.00000 0.48000 1.54000 0.00000 -0.63000 0.00000 -1.84000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_16.PDB 9.16636 -9.95000 -1.91000 -4.75000 -9.60000 -3.07000 11.01000 -11.64000 6.56000 3.94000 1.63000 0.00000 0.00000 0.00000 0.63000 1.75000 0.00000 -0.90000 0.00000 -1.85000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_17.PDB 8.06111 -8.96000 -1.30000 -3.68000 -11.09000 -2.42000 11.48000 -13.60000 6.23000 4.21000 2.72000 0.00000 0.00000 0.00000 0.50000 2.05000 0.00000 -0.55000 0.00000 -1.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_18.PDB 10.00512 -4.93000 -1.94000 -3.60000 -9.93000 -2.76000 11.17000 -11.93000 9.79000 3.60000 2.05000 0.00000 0.00000 0.00000 0.64000 1.59000 0.00000 -0.56000 0.00000 -1.45000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_19.PDB 9.12630 -7.17000 -1.33000 -2.79000 -10.02000 -2.74000 10.42000 -12.39000 7.87000 3.81000 1.46000 0.00000 0.00000 0.00000 0.80000 1.77000 0.00000 -0.54000 0.00000 -1.71000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_20.PDB 8.90766 -7.15000 -1.29000 -2.83000 -10.10000 -2.34000 10.35000 -12.54000 7.88000 3.92000 1.72000 0.00000 0.00000 0.00000 0.54000 1.81000 0.00000 -1.03000 0.00000 -1.42000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_21.PDB 8.29756 -10.17000 -2.02000 -5.52000 -10.46000 -2.95000 12.15000 -12.43000 5.85000 4.10000 2.35000 0.00000 0.00000 0.00000 0.60000 1.82000 0.00000 -0.06000 0.00000 -1.79000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_22.PDB 8.17655 -9.08000 -1.24000 -3.06000 -10.35000 -1.35000 9.60000 -13.17000 5.17000 4.19000 2.04000 0.00000 0.00000 0.00000 0.71000 1.95000 0.00000 -0.56000 0.00000 -1.04000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_23.PDB 7.55276 -6.24000 -1.92000 -1.90000 -10.08000 -3.20000 11.85000 -12.02000 6.48000 3.96000 2.72000 0.00000 0.00000 0.00000 0.32000 1.56000 0.00000 -0.64000 0.00000 -1.81000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_24.PDB 8.59406 -7.83000 -1.27000 -4.28000 -11.03000 -3.03000 11.59000 -13.45000 8.41000 4.36000 2.27000 0.00000 0.00000 0.00000 0.79000 2.04000 0.00000 -0.60000 0.00000 -1.59000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_25.PDB 8.50850 -7.05000 -1.91000 -5.16000 -9.31000 -3.69000 11.39000 -10.91000 7.59000 4.54000 2.93000 0.00000 0.00000 0.00000 0.38000 1.48000 0.00000 -0.95000 0.00000 -1.94000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_26.PDB 8.99606 -7.24000 -1.24000 -4.09000 -9.09000 -3.18000 9.49000 -11.19000 7.23000 4.83000 2.46000 0.00000 0.00000 0.00000 0.32000 1.61000 0.00000 -0.87000 0.00000 -1.91000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_27.PDB 7.93792 -8.94000 -1.92000 -1.92000 -9.22000 -2.52000 10.27000 -11.41000 4.01000 2.92000 2.89000 0.00000 0.00000 0.00000 0.32000 1.51000 0.00000 -0.60000 0.00000 -1.77000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_28.PDB 8.38183 -7.06000 -1.90000 -3.55000 -8.90000 -3.28000 10.24000 -10.69000 6.35000 4.60000 2.24000 0.00000 0.00000 0.00000 0.36000 1.32000 0.00000 -0.51000 0.00000 -2.01000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_29.PDB 7.53972 -8.67000 -1.29000 -4.39000 -10.56000 -3.46000 12.21000 -12.73000 5.25000 5.02000 3.18000 0.00000 0.00000 0.00000 0.37000 1.67000 0.00000 -0.28000 0.00000 -1.98000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-5_30.PDB 8.89232 -7.83000 -1.86000 -6.05000 -9.30000 -3.54000 11.55000 -11.06000 6.81000 5.28000 2.58000 0.00000 0.00000 0.00000 0.33000 1.31000 0.00000 -0.64000 0.00000 -1.94000 0.00000 2.38000 66.00000