name total energy Backbone Hbon 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 27.55000 -43.26000 -15.76000 -68.81000 -2.54000 89.89000 -84.50000 20.85000 33.90000 93.12000 0.00000 0.00000 0.00000 7.90000 16.38000 0.00000 -2.18000 0.00000 -1.05000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_2.PDB 27.16000 -43.08000 -17.31000 -68.73000 -2.60000 89.97000 -84.00000 21.72000 34.85000 92.95000 0.00000 0.00000 0.00000 6.64000 16.63000 0.00000 -2.15000 0.00000 -1.10000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_3.PDB 25.88000 -43.12000 -16.88000 -68.56000 -2.85000 89.68000 -83.83000 20.16000 34.20000 92.63000 0.00000 0.00000 0.00000 8.04000 16.39000 0.00000 -2.56000 0.00000 -1.02000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_4.PDB 26.80000 -43.08000 -15.85000 -69.30000 -2.50000 89.91000 -85.02000 20.49000 34.47000 93.02000 0.00000 0.00000 0.00000 7.83000 16.39000 0.00000 -2.36000 0.00000 -0.82000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_5.PDB 26.91000 -43.23000 -17.19000 -68.73000 -2.92000 90.65000 -84.02000 19.99000 34.57000 93.29000 0.00000 0.00000 0.00000 7.99000 16.31000 0.00000 -2.32000 0.00000 -1.16000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_6.PDB 28.23000 -42.19000 -15.72000 -68.94000 -2.21000 89.21000 -84.87000 20.54000 34.33000 93.11000 0.00000 0.00000 0.00000 8.41000 16.33000 0.00000 -2.47000 0.00000 -0.95000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_7.PDB 27.22000 -43.30000 -20.19000 -69.18000 -1.96000 91.39000 -84.58000 20.65000 36.02000 93.69000 0.00000 0.00000 0.00000 7.86000 16.44000 0.00000 -2.34000 0.00000 -0.83000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_8.PDB 27.36000 -42.38000 -14.22000 -68.49000 -2.63000 89.14000 -83.86000 20.10000 32.81000 92.48000 0.00000 0.00000 0.00000 7.90000 16.38000 0.00000 -2.44000 0.00000 -1.06000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_9.PDB 29.05000 -42.42000 -15.86000 -68.43000 -2.17000 89.58000 -83.58000 20.94000 33.57000 92.35000 0.00000 0.00000 0.00000 7.93000 16.52000 0.00000 -1.88000 0.00000 -0.97000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_10.PDB 28.92000 -42.40000 -14.34000 -68.43000 -1.56000 89.15000 -83.96000 20.54000 32.33000 92.79000 0.00000 0.00000 0.00000 7.77000 16.30000 0.00000 -2.42000 0.00000 -0.53000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_11.PDB 25.67000 -43.29000 -15.38000 -68.56000 -2.83000 89.18000 -84.14000 19.82000 33.72000 92.63000 0.00000 0.00000 0.00000 7.93000 16.37000 0.00000 -2.39000 0.00000 -1.03000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_12.PDB 29.04000 -41.39000 -14.02000 -68.40000 -1.60000 87.69000 -84.84000 20.66000 33.16000 93.04000 0.00000 0.00000 0.00000 7.60000 16.19000 0.00000 -2.22000 0.00000 -0.64000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_13.PDB 27.35000 -43.34000 -18.87000 -68.64000 -2.68000 90.73000 -83.36000 21.14000 35.29000 92.66000 0.00000 0.00000 0.00000 8.24000 16.41000 0.00000 -2.56000 0.00000 -1.27000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_14.PDB 26.23000 -43.36000 -15.07000 -68.38000 -2.36000 88.62000 -83.88000 19.85000 33.24000 92.77000 0.00000 0.00000 0.00000 8.16000 16.33000 0.00000 -2.45000 0.00000 -0.92000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_15.PDB 26.73000 -43.19000 -15.56000 -68.29000 -2.37000 88.84000 -83.98000 20.10000 33.56000 93.04000 0.00000 0.00000 0.00000 7.83000 16.28000 0.00000 -2.38000 0.00000 -0.87000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_16.PDB 28.91000 -42.98000 -16.69000 -68.83000 -1.92000 90.84000 -83.92000 21.93000 34.33000 93.05000 0.00000 0.00000 0.00000 6.48000 16.22000 0.00000 -2.53000 0.00000 -0.83000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_17.PDB 26.81000 -43.18000 -15.71000 -69.06000 -2.67000 89.80000 -84.96000 20.96000 34.22000 92.98000 0.00000 0.00000 0.00000 7.76000 16.39000 0.00000 -2.21000 0.00000 -1.12000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_18.PDB 28.28000 -43.05000 -14.99000 -68.26000 -2.20000 89.74000 -83.09000 19.91000 33.18000 92.39000 0.00000 0.00000 0.00000 8.20000 16.37000 0.00000 -2.45000 0.00000 -1.09000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_19.PDB 26.49000 -43.20000 -17.09000 -68.60000 -2.30000 89.41000 -84.21000 20.42000 34.09000 93.04000 0.00000 0.00000 0.00000 8.28000 16.30000 0.00000 -2.54000 0.00000 -0.80000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_20.PDB 29.74000 -41.31000 -14.75000 -67.88000 -1.80000 88.51000 -83.33000 20.10000 32.79000 93.07000 0.00000 0.00000 0.00000 8.05000 16.10000 0.00000 -2.89000 0.00000 -0.83000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_21.PDB 26.43000 -43.28000 -16.14000 -69.34000 -2.40000 89.64000 -85.27000 20.32000 34.49000 92.91000 0.00000 0.00000 0.00000 8.66000 16.41000 0.00000 -2.31000 0.00000 -0.86000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_22.PDB 26.22000 -44.05000 -19.02000 -69.22000 -2.26000 90.67000 -84.49000 20.13000 36.50000 93.56000 0.00000 0.00000 0.00000 7.95000 16.59000 0.00000 -2.51000 0.00000 -1.03000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_23.PDB 27.94000 -42.48000 -14.36000 -68.15000 -2.70000 89.28000 -83.06000 20.26000 32.30000 92.28000 0.00000 0.00000 0.00000 8.22000 16.39000 0.00000 -2.33000 0.00000 -1.33000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_24.PDB 28.71000 -42.26000 -15.85000 -68.32000 -1.84000 89.95000 -83.32000 19.74000 33.02000 92.74000 0.00000 0.00000 0.00000 8.06000 16.36000 0.00000 -2.27000 0.00000 -0.92000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_25.PDB 30.33000 -42.34000 -15.94000 -68.61000 -1.79000 90.03000 -83.79000 20.05000 34.28000 93.52000 0.00000 0.00000 0.00000 8.02000 16.29000 0.00000 -2.21000 0.00000 -0.90000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_26.PDB 30.34000 -41.37000 -14.38000 -67.91000 -1.77000 88.46000 -83.28000 20.02000 33.35000 92.70000 0.00000 0.00000 0.00000 7.79000 16.08000 0.00000 -2.45000 0.00000 -0.82000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_27.PDB 24.83000 -43.28000 -15.07000 -68.56000 -2.43000 88.52000 -84.46000 20.26000 33.30000 92.37000 0.00000 0.00000 0.00000 7.66000 16.33000 0.00000 -2.61000 0.00000 -0.85000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_28.PDB 29.49000 -41.42000 -13.55000 -67.92000 -1.78000 87.39000 -83.95000 21.40000 32.36000 92.47000 0.00000 0.00000 0.00000 7.81000 16.16000 0.00000 -2.48000 0.00000 -0.83000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_29.PDB 25.63000 -43.27000 -16.34000 -69.05000 -2.42000 90.05000 -84.85000 20.41000 34.00000 92.85000 0.00000 0.00000 0.00000 7.63000 16.37000 0.00000 -2.50000 0.00000 -0.87000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-17_30.PDB 26.90000 -41.47000 -13.57000 -68.02000 -2.26000 87.34000 -84.17000 19.80000 32.43000 92.11000 0.00000 0.00000 0.00000 7.72000 16.30000 0.00000 -2.19000 0.00000 -0.82000 0.00000 0.00000 65.00000