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-15_1.PDB 31.10000 -42.64000 -14.41000 -66.82000 -1.40000 87.29000 -83.11000 21.11000 32.79000 93.96000 0.00000 0.00000 0.00000 6.94000 18.10000 0.00000 -2.25000 0.00000 -0.35000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_2.PDB 30.94000 -43.02000 -14.84000 -67.21000 -1.51000 88.76000 -83.22000 19.76000 33.56000 94.03000 0.00000 0.00000 0.00000 7.54000 17.98000 0.00000 -2.54000 0.00000 -0.37000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_3.PDB 30.96000 -41.68000 -13.15000 -66.90000 -1.56000 87.05000 -83.03000 18.15000 32.39000 94.02000 0.00000 0.00000 0.00000 8.53000 17.95000 0.00000 -2.41000 0.00000 -0.44000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_4.PDB 30.17000 -42.57000 -13.00000 -66.85000 -1.58000 86.89000 -83.04000 18.78000 31.84000 94.28000 0.00000 0.00000 0.00000 8.31000 18.25000 0.00000 -2.32000 0.00000 -0.57000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_5.PDB 29.68000 -42.54000 -12.68000 -66.66000 -1.26000 86.59000 -83.07000 17.84000 32.05000 94.08000 0.00000 0.00000 0.00000 8.31000 17.97000 0.00000 -2.65000 0.00000 -0.32000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_6.PDB 30.96000 -40.90000 -12.30000 -66.27000 -1.49000 86.71000 -82.25000 16.69000 31.33000 93.57000 0.00000 0.00000 0.00000 8.44000 18.06000 0.00000 -2.23000 0.00000 -0.34000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_7.PDB 30.23000 -42.54000 -13.46000 -67.50000 -2.42000 88.63000 -83.31000 18.52000 32.93000 94.01000 0.00000 0.00000 0.00000 8.39000 18.08000 0.00000 -2.45000 0.00000 -0.58000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_8.PDB 30.79000 -42.61000 -11.18000 -66.54000 -1.53000 86.35000 -82.82000 20.50000 30.73000 94.08000 0.00000 0.00000 0.00000 6.61000 18.21000 0.00000 -2.29000 0.00000 -0.52000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_9.PDB 30.68000 -41.92000 -10.48000 -66.09000 -1.53000 85.76000 -82.41000 18.31000 29.93000 93.68000 0.00000 0.00000 0.00000 8.34000 18.04000 0.00000 -2.43000 0.00000 -0.46000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_10.PDB 29.44000 -41.68000 -14.57000 -66.77000 -1.72000 87.68000 -82.55000 17.14000 33.00000 94.30000 0.00000 0.00000 0.00000 7.54000 18.12000 0.00000 -2.42000 0.00000 -0.50000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_11.PDB 30.17000 -42.54000 -14.41000 -66.90000 -2.02000 87.48000 -82.49000 19.28000 33.34000 94.45000 0.00000 0.00000 0.00000 7.58000 17.94000 0.00000 -2.77000 0.00000 -0.82000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_12.PDB 30.04000 -41.97000 -13.50000 -66.52000 -1.60000 86.84000 -82.52000 18.23000 31.90000 94.25000 0.00000 0.00000 0.00000 7.67000 17.82000 0.00000 -2.16000 0.00000 -0.58000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_13.PDB 28.68000 -42.48000 -13.58000 -67.05000 -2.65000 87.69000 -82.79000 18.38000 32.74000 94.26000 0.00000 0.00000 0.00000 7.43000 18.16000 0.00000 -2.40000 0.00000 -0.87000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_14.PDB 29.59000 -42.02000 -12.27000 -66.16000 -1.49000 85.62000 -82.15000 19.63000 31.45000 94.00000 0.00000 0.00000 0.00000 6.15000 17.85000 0.00000 -2.41000 0.00000 -0.76000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_15.PDB 28.84000 -42.55000 -12.23000 -66.81000 -1.61000 86.58000 -83.08000 18.38000 31.73000 94.12000 0.00000 0.00000 0.00000 7.43000 17.88000 0.00000 -2.53000 0.00000 -0.61000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_16.PDB 30.60000 -42.56000 -14.13000 -65.91000 -1.31000 86.11000 -81.70000 18.95000 32.32000 94.42000 0.00000 0.00000 0.00000 7.69000 17.64000 0.00000 -2.68000 0.00000 -0.60000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_17.PDB 30.98000 -42.58000 -13.26000 -67.26000 -2.35000 88.25000 -82.91000 19.01000 32.74000 94.29000 0.00000 0.00000 0.00000 8.30000 18.03000 0.00000 -2.50000 0.00000 -0.75000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_18.PDB 28.65000 -41.71000 -13.92000 -66.50000 -2.19000 86.76000 -82.54000 17.31000 32.84000 94.22000 0.00000 0.00000 0.00000 7.97000 17.66000 0.00000 -2.69000 0.00000 -0.90000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_19.PDB 29.74000 -42.52000 -11.05000 -65.95000 -1.59000 85.34000 -82.35000 18.68000 30.37000 94.06000 0.00000 0.00000 0.00000 7.87000 17.62000 0.00000 -2.53000 0.00000 -0.58000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_20.PDB 30.65000 -42.57000 -13.53000 -67.05000 -2.45000 87.71000 -82.90000 19.11000 33.37000 94.36000 0.00000 0.00000 0.00000 8.52000 17.83000 0.00000 -2.86000 0.00000 -1.06000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_21.PDB 29.89000 -41.59000 -13.58000 -67.43000 -2.79000 88.50000 -84.06000 17.43000 33.46000 95.12000 0.00000 0.00000 0.00000 8.46000 17.58000 0.00000 -2.46000 0.00000 -1.17000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_22.PDB 27.94000 -41.98000 -12.36000 -68.37000 -3.04000 88.08000 -84.91000 18.31000 33.13000 93.76000 0.00000 0.00000 0.00000 8.73000 18.14000 0.00000 -2.15000 0.00000 -1.26000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_23.PDB 30.43000 -41.96000 -13.05000 -68.10000 -2.05000 88.64000 -84.95000 18.92000 33.75000 94.45000 0.00000 0.00000 0.00000 7.74000 17.48000 0.00000 -2.15000 0.00000 -0.81000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_24.PDB 30.85000 -42.55000 -13.82000 -65.88000 -1.32000 86.20000 -81.60000 19.02000 32.01000 94.36000 0.00000 0.00000 0.00000 7.56000 17.76000 0.00000 -2.62000 0.00000 -0.52000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_25.PDB 31.59000 -42.03000 -13.35000 -66.43000 -1.55000 87.31000 -82.41000 18.10000 32.48000 93.79000 0.00000 0.00000 0.00000 8.46000 17.74000 0.00000 -2.30000 0.00000 -0.48000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_26.PDB 30.98000 -42.02000 -12.25000 -67.89000 -2.65000 88.44000 -84.04000 21.10000 32.85000 93.95000 0.00000 0.00000 0.00000 6.92000 18.07000 0.00000 -2.37000 0.00000 -1.07000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_27.PDB 30.03000 -42.56000 -14.12000 -66.52000 -1.89000 86.99000 -82.24000 19.25000 32.76000 94.35000 0.00000 0.00000 0.00000 7.50000 17.88000 0.00000 -2.77000 0.00000 -0.71000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_28.PDB 31.67000 -41.96000 -12.32000 -67.88000 -2.79000 88.70000 -83.92000 18.94000 32.96000 93.95000 0.00000 0.00000 0.00000 9.30000 17.98000 0.00000 -2.15000 0.00000 -1.16000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_29.PDB 29.85000 -42.57000 -14.31000 -66.03000 -1.27000 86.41000 -81.81000 17.77000 32.39000 94.50000 0.00000 0.00000 0.00000 7.72000 17.81000 0.00000 -2.42000 0.00000 -0.53000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-15_30.PDB 29.50000 -41.94000 -11.45000 -67.30000 -2.08000 86.92000 -84.05000 19.54000 31.87000 93.86000 0.00000 0.00000 0.00000 7.69000 17.89000 0.00000 -2.56000 0.00000 -0.99000 0.00000 0.00000 65.00000