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-13_1.PDB 24.02000 -43.45000 -13.83000 -67.86000 -1.90000 86.47000 -84.52000 20.90000 33.82000 88.32000 0.00000 0.00000 0.00000 9.22000 16.08000 0.00000 -2.36000 0.00000 -0.79000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_2.PDB 22.56000 -43.34000 -12.07000 -66.80000 -1.96000 85.58000 -83.07000 20.84000 31.89000 85.87000 0.00000 0.00000 0.00000 8.59000 15.99000 0.00000 -2.37000 0.00000 -0.62000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_3.PDB 23.94000 -43.33000 -12.07000 -66.89000 -1.95000 85.70000 -83.26000 20.96000 32.00000 87.43000 0.00000 0.00000 0.00000 8.51000 15.97000 0.00000 -2.49000 0.00000 -0.66000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_4.PDB 28.29000 -41.26000 -12.17000 -66.84000 -2.37000 85.10000 -83.40000 21.13000 31.99000 89.24000 0.00000 0.00000 0.00000 9.56000 16.11000 0.00000 -2.03000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_5.PDB 24.22000 -43.41000 -13.56000 -68.42000 -1.71000 87.39000 -84.97000 21.16000 34.05000 88.08000 0.00000 0.00000 0.00000 8.78000 16.29000 0.00000 -2.56000 0.00000 -0.60000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_6.PDB 24.83000 -44.14000 -14.85000 -68.64000 -1.84000 88.13000 -85.20000 20.92000 35.46000 89.47000 0.00000 0.00000 0.00000 8.79000 16.23000 0.00000 -2.56000 0.00000 -0.70000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_7.PDB 23.21000 -44.19000 -13.18000 -68.06000 -2.42000 87.14000 -84.78000 21.23000 33.37000 88.53000 0.00000 0.00000 0.00000 8.64000 16.18000 0.00000 -2.39000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_8.PDB 23.74000 -44.06000 -12.71000 -66.50000 -1.97000 86.02000 -82.13000 19.46000 32.45000 87.57000 0.00000 0.00000 0.00000 8.85000 16.00000 0.00000 -2.49000 0.00000 -0.74000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_9.PDB 22.83000 -43.31000 -11.97000 -66.04000 -2.03000 85.45000 -81.64000 19.46000 31.43000 85.93000 0.00000 0.00000 0.00000 8.65000 15.98000 0.00000 -2.41000 0.00000 -0.69000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_10.PDB 23.18000 -43.40000 -12.06000 -68.08000 -1.98000 86.83000 -84.94000 21.10000 32.69000 87.78000 0.00000 0.00000 0.00000 8.41000 16.21000 0.00000 -2.56000 0.00000 -0.60000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_11.PDB 23.15000 -44.24000 -12.88000 -68.44000 -1.90000 87.51000 -85.04000 20.79000 33.66000 88.64000 0.00000 0.00000 0.00000 8.58000 16.19000 0.00000 -2.84000 0.00000 -0.69000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_12.PDB 22.06000 -44.07000 -13.05000 -68.68000 -2.54000 87.07000 -85.56000 21.53000 33.53000 88.39000 0.00000 0.00000 0.00000 8.63000 16.19000 0.00000 -2.52000 0.00000 -0.66000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_13.PDB 23.66000 -44.25000 -13.14000 -68.34000 -2.41000 88.03000 -85.00000 21.12000 33.64000 88.65000 0.00000 0.00000 0.00000 8.47000 16.31000 0.00000 -2.55000 0.00000 -0.57000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_14.PDB 23.57000 -43.40000 -12.65000 -67.45000 -2.51000 87.09000 -83.49000 19.79000 32.48000 88.45000 0.00000 0.00000 0.00000 8.62000 16.31000 0.00000 -2.82000 0.00000 -0.55000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_15.PDB 25.87000 -44.13000 -14.12000 -67.90000 -1.94000 87.10000 -84.12000 21.16000 34.39000 89.75000 0.00000 0.00000 0.00000 9.07000 16.18000 0.00000 -2.42000 0.00000 -0.96000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_16.PDB 21.26000 -43.34000 -12.03000 -68.49000 -2.01000 86.27000 -85.44000 21.75000 32.56000 86.71000 0.00000 0.00000 0.00000 8.38000 16.20000 0.00000 -2.53000 0.00000 -0.59000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_17.PDB 26.07000 -44.03000 -14.26000 -66.00000 -1.98000 85.97000 -81.23000 19.57000 33.62000 88.60000 0.00000 0.00000 0.00000 9.14000 15.96000 0.00000 -2.48000 0.00000 -0.85000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_18.PDB 23.05000 -43.37000 -12.16000 -67.78000 -2.42000 86.70000 -84.40000 21.17000 32.42000 87.53000 0.00000 0.00000 0.00000 8.50000 16.21000 0.00000 -2.55000 0.00000 -0.60000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_19.PDB 26.24000 -42.62000 -13.32000 -67.18000 -2.14000 86.26000 -83.33000 20.69000 32.90000 88.75000 0.00000 0.00000 0.00000 9.44000 16.21000 0.00000 -2.65000 0.00000 -0.55000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_20.PDB 24.77000 -42.09000 -12.95000 -66.50000 -2.62000 86.39000 -82.50000 20.33000 32.65000 87.75000 0.00000 0.00000 0.00000 7.72000 16.08000 0.00000 -2.61000 0.00000 -0.79000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_21.PDB 27.96000 -40.47000 -10.81000 -64.68000 -1.91000 83.16000 -80.22000 19.38000 29.62000 87.03000 0.00000 0.00000 0.00000 9.67000 15.89000 0.00000 -2.14000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_22.PDB 22.64000 -43.30000 -12.05000 -67.54000 -2.09000 85.75000 -84.15000 20.77000 32.10000 87.47000 0.00000 0.00000 0.00000 8.58000 15.97000 0.00000 -2.30000 0.00000 -0.61000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_23.PDB 28.77000 -41.21000 -11.64000 -65.67000 -1.84000 84.21000 -81.63000 20.43000 30.96000 88.65000 0.00000 0.00000 0.00000 9.75000 15.83000 0.00000 -2.50000 0.00000 -0.74000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_24.PDB 24.88000 -43.98000 -14.92000 -67.54000 -2.03000 86.55000 -83.60000 21.13000 34.73000 88.66000 0.00000 0.00000 0.00000 8.87000 15.89000 0.00000 -2.17000 0.00000 -0.81000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_25.PDB 29.37000 -40.44000 -11.50000 -64.61000 -1.64000 82.96000 -80.18000 19.69000 29.79000 88.41000 0.00000 0.00000 0.00000 9.57000 15.90000 0.00000 -2.11000 0.00000 -0.57000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_26.PDB 26.17000 -44.23000 -14.55000 -67.88000 -1.89000 87.58000 -84.19000 21.46000 34.62000 89.72000 0.00000 0.00000 0.00000 8.82000 16.17000 0.00000 -2.53000 0.00000 -0.77000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_27.PDB 24.99000 -44.05000 -12.78000 -66.85000 -1.94000 86.06000 -82.90000 20.91000 32.72000 88.24000 0.00000 0.00000 0.00000 8.65000 15.86000 0.00000 -2.30000 0.00000 -0.76000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_28.PDB 27.63000 -42.62000 -13.29000 -65.92000 -1.99000 85.12000 -81.52000 21.13000 32.45000 87.91000 0.00000 0.00000 0.00000 9.60000 15.88000 0.00000 -2.48000 0.00000 -0.76000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_29.PDB 24.97000 -43.61000 -13.98000 -65.75000 -1.90000 85.33000 -81.12000 19.37000 32.52000 87.77000 0.00000 0.00000 0.00000 9.58000 15.85000 0.00000 -2.47000 0.00000 -0.77000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-13_30.PDB 28.97000 -40.50000 -10.84000 -65.43000 -1.79000 84.33000 -80.99000 19.46000 30.17000 87.61000 0.00000 0.00000 0.00000 9.62000 16.02000 0.00000 -2.11000 0.00000 -0.54000 0.00000 0.00000 64.00000