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-9_1.PDB 19.74000 -42.02000 -14.17000 -68.12000 -2.12000 87.29000 -84.70000 16.96000 32.87000 88.92000 0.00000 0.00000 0.00000 7.27000 15.71000 0.00000 -1.73000 0.00000 -0.70000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_2.PDB 21.24000 -41.12000 -13.39000 -67.93000 -2.12000 86.86000 -84.51000 16.78000 32.03000 89.76000 0.00000 0.00000 0.00000 7.46000 15.81000 0.00000 -1.84000 0.00000 -0.73000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_3.PDB 20.84000 -41.18000 -14.95000 -68.91000 -2.09000 88.14000 -85.57000 19.41000 33.30000 89.77000 0.00000 0.00000 0.00000 5.41000 16.07000 0.00000 -1.86000 0.00000 -0.64000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_4.PDB 17.72000 -41.92000 -13.19000 -68.29000 -1.88000 86.71000 -85.29000 15.57000 32.38000 88.87000 0.00000 0.00000 0.00000 7.44000 15.75000 0.00000 -2.00000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_5.PDB 20.62000 -41.94000 -14.09000 -68.48000 -2.07000 87.69000 -85.18000 16.63000 32.97000 90.34000 0.00000 0.00000 0.00000 7.22000 15.72000 0.00000 -1.78000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_6.PDB 21.01000 -41.79000 -13.84000 -67.67000 -2.33000 86.80000 -84.15000 16.82000 32.76000 88.82000 0.00000 0.00000 0.00000 7.99000 15.69000 0.00000 -1.60000 0.00000 -0.81000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_7.PDB 19.04000 -42.04000 -15.81000 -68.11000 -2.14000 87.58000 -84.50000 17.42000 33.95000 87.95000 0.00000 0.00000 0.00000 7.17000 15.76000 0.00000 -1.70000 0.00000 -0.72000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_8.PDB 21.29000 -41.95000 -15.78000 -69.09000 -2.05000 88.63000 -85.77000 16.74000 35.00000 90.47000 0.00000 0.00000 0.00000 7.55000 15.93000 0.00000 -1.76000 0.00000 -0.71000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_9.PDB 19.73000 -41.96000 -15.73000 -68.12000 -2.10000 87.46000 -84.64000 17.39000 33.89000 88.81000 0.00000 0.00000 0.00000 7.21000 15.75000 0.00000 -1.82000 0.00000 -0.67000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_10.PDB 21.05000 -41.07000 -13.32000 -67.98000 -2.16000 86.93000 -84.53000 16.41000 32.09000 89.87000 0.00000 0.00000 0.00000 7.26000 15.76000 0.00000 -1.66000 0.00000 -0.79000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_11.PDB 20.62000 -42.56000 -14.69000 -67.56000 -2.35000 87.15000 -83.76000 16.68000 33.17000 88.92000 0.00000 0.00000 0.00000 8.06000 15.66000 0.00000 -1.68000 0.00000 -0.75000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_12.PDB 22.22000 -41.93000 -14.06000 -67.82000 -2.36000 87.20000 -84.26000 16.54000 32.93000 90.20000 0.00000 0.00000 0.00000 8.15000 15.62000 0.00000 -1.54000 0.00000 -0.84000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_13.PDB 21.40000 -41.94000 -14.83000 -68.33000 -2.04000 87.62000 -84.95000 17.32000 33.30000 90.22000 0.00000 0.00000 0.00000 7.51000 15.78000 0.00000 -1.80000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_14.PDB 21.71000 -42.01000 -14.14000 -67.98000 -2.40000 87.52000 -84.49000 16.67000 32.89000 90.03000 0.00000 0.00000 0.00000 8.15000 15.65000 0.00000 -1.74000 0.00000 -0.79000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_15.PDB 20.67000 -41.97000 -14.15000 -68.53000 -2.10000 87.88000 -85.23000 16.38000 33.01000 90.41000 0.00000 0.00000 0.00000 7.42000 15.72000 0.00000 -1.76000 0.00000 -0.69000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_16.PDB 21.93000 -41.96000 -14.07000 -67.91000 -2.42000 87.40000 -84.36000 16.70000 32.84000 90.22000 0.00000 0.00000 0.00000 8.11000 15.64000 0.00000 -1.79000 0.00000 -0.83000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_17.PDB 20.35000 -42.02000 -15.87000 -67.55000 -2.37000 87.20000 -83.89000 16.68000 33.70000 88.77000 0.00000 0.00000 0.00000 8.10000 15.65000 0.00000 -1.59000 0.00000 -0.83000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_18.PDB 20.93000 -41.98000 -12.41000 -66.60000 -2.04000 85.10000 -82.85000 16.53000 31.57000 88.68000 0.00000 0.00000 0.00000 7.17000 15.62000 0.00000 -1.55000 0.00000 -0.70000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_19.PDB 20.65000 -41.94000 -12.33000 -66.83000 -2.06000 85.49000 -83.14000 16.24000 31.68000 88.74000 0.00000 0.00000 0.00000 7.20000 15.61000 0.00000 -1.71000 0.00000 -0.69000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_20.PDB 20.15000 -42.02000 -14.18000 -66.97000 -2.42000 86.49000 -83.07000 16.69000 32.47000 87.75000 0.00000 0.00000 0.00000 8.00000 15.66000 0.00000 -1.78000 0.00000 -0.81000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_21.PDB 20.23000 -41.95000 -15.78000 -68.23000 -2.11000 87.81000 -84.68000 16.89000 33.98000 89.39000 0.00000 0.00000 0.00000 7.36000 15.72000 0.00000 -1.76000 0.00000 -0.69000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_22.PDB 22.66000 -41.94000 -14.10000 -69.19000 -2.09000 88.53000 -85.93000 16.56000 34.13000 91.46000 0.00000 0.00000 0.00000 7.65000 15.97000 0.00000 -1.72000 0.00000 -0.70000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_23.PDB 21.11000 -41.10000 -14.23000 -68.35000 -1.68000 86.86000 -85.07000 16.15000 33.05000 90.43000 0.00000 0.00000 0.00000 7.53000 15.70000 0.00000 -1.92000 0.00000 -0.54000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_24.PDB 20.79000 -42.02000 -14.19000 -68.58000 -2.15000 88.17000 -85.22000 16.55000 33.09000 90.30000 0.00000 0.00000 0.00000 7.29000 15.78000 0.00000 -1.74000 0.00000 -0.72000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_25.PDB 22.36000 -41.64000 -14.45000 -68.85000 -1.73000 87.97000 -85.66000 16.07000 34.34000 91.28000 0.00000 0.00000 0.00000 7.70000 15.87000 0.00000 -1.96000 0.00000 -0.71000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_26.PDB 22.08000 -43.23000 -15.40000 -68.34000 -2.28000 88.37000 -84.45000 16.93000 34.20000 90.56000 0.00000 0.00000 0.00000 8.15000 15.66000 0.00000 -1.73000 0.00000 -0.70000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_27.PDB 21.26000 -42.02000 -14.21000 -68.40000 -2.41000 88.18000 -85.22000 16.54000 33.35000 90.26000 0.00000 0.00000 0.00000 7.45000 15.64000 0.00000 -1.55000 0.00000 -0.72000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_28.PDB 21.63000 -41.99000 -14.05000 -68.78000 -2.10000 88.14000 -85.53000 16.63000 33.96000 90.40000 0.00000 0.00000 0.00000 7.49000 15.96000 0.00000 -1.82000 0.00000 -0.72000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_29.PDB 21.46000 -42.65000 -14.77000 -67.54000 -2.31000 87.22000 -83.85000 16.37000 33.17000 90.07000 0.00000 0.00000 0.00000 8.24000 15.61000 0.00000 -1.81000 0.00000 -0.68000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-9_30.PDB 22.05000 -42.01000 -15.75000 -68.71000 -2.36000 88.51000 -85.33000 16.65000 34.84000 90.46000 0.00000 0.00000 0.00000 8.33000 15.76000 0.00000 -1.68000 0.00000 -0.89000 0.00000 0.00000 64.00000