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-12_1.PDB 27.99000 -41.23000 -12.20000 -65.00000 -3.60000 83.98000 -80.34000 16.78000 32.88000 89.70000 0.00000 0.00000 0.00000 9.59000 17.55000 0.00000 -1.43000 0.00000 -1.12000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_2.PDB 27.35000 -42.10000 -12.34000 -64.81000 -3.31000 84.78000 -79.81000 16.78000 31.88000 89.76000 0.00000 0.00000 0.00000 9.45000 17.57000 0.00000 -1.96000 0.00000 -0.96000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_3.PDB 28.26000 -41.27000 -12.22000 -64.66000 -3.35000 83.35000 -79.91000 19.00000 32.42000 89.57000 0.00000 0.00000 0.00000 7.91000 17.72000 0.00000 -1.52000 0.00000 -1.05000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_4.PDB 27.20000 -41.25000 -12.14000 -65.36000 -3.29000 84.43000 -80.71000 16.83000 32.64000 89.43000 0.00000 0.00000 0.00000 9.53000 17.61000 0.00000 -1.68000 0.00000 -1.23000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_5.PDB 26.47000 -42.93000 -14.25000 -64.76000 -2.82000 85.03000 -79.86000 16.80000 33.33000 89.26000 0.00000 0.00000 0.00000 9.46000 17.45000 0.00000 -1.90000 0.00000 -0.89000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_6.PDB 27.24000 -42.12000 -13.06000 -64.86000 -3.24000 84.17000 -80.02000 18.67000 33.24000 89.22000 0.00000 0.00000 0.00000 8.01000 17.71000 0.00000 -1.53000 0.00000 -1.23000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_7.PDB 26.92000 -41.26000 -11.54000 -64.50000 -3.18000 83.69000 -79.83000 16.98000 31.09000 88.94000 0.00000 0.00000 0.00000 9.25000 17.39000 0.00000 -1.91000 0.00000 -0.81000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_8.PDB 26.75000 -41.28000 -11.68000 -64.37000 -3.47000 83.87000 -79.60000 16.86000 31.13000 88.80000 0.00000 0.00000 0.00000 9.17000 17.38000 0.00000 -1.74000 0.00000 -0.94000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_9.PDB 28.13000 -41.29000 -13.83000 -65.67000 -3.17000 85.52000 -80.92000 16.76000 33.68000 89.66000 0.00000 0.00000 0.00000 9.95000 17.72000 0.00000 -1.55000 0.00000 -1.00000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_10.PDB 27.26000 -41.00000 -11.47000 -64.25000 -3.36000 82.92000 -79.47000 16.78000 31.90000 88.79000 0.00000 0.00000 0.00000 9.05000 17.38000 0.00000 -1.56000 0.00000 -1.08000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_11.PDB 28.35000 -41.31000 -13.10000 -65.83000 -3.16000 85.58000 -81.08000 16.83000 33.43000 89.60000 0.00000 0.00000 0.00000 9.79000 17.76000 0.00000 -1.37000 0.00000 -1.03000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_12.PDB 28.17000 -41.34000 -12.97000 -66.19000 -3.30000 86.01000 -81.52000 16.93000 33.60000 89.56000 0.00000 0.00000 0.00000 9.81000 17.79000 0.00000 -1.42000 0.00000 -1.02000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_13.PDB 26.04000 -41.23000 -11.56000 -64.66000 -3.19000 84.18000 -79.98000 16.75000 30.99000 88.63000 0.00000 0.00000 0.00000 9.20000 17.39000 0.00000 -2.00000 0.00000 -1.09000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_14.PDB 27.51000 -41.37000 -13.27000 -66.00000 -2.89000 85.64000 -81.39000 16.96000 33.27000 89.31000 0.00000 0.00000 0.00000 9.93000 17.74000 0.00000 -1.61000 0.00000 -1.09000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_15.PDB 26.35000 -41.98000 -12.83000 -64.69000 -3.28000 83.69000 -79.97000 17.15000 33.07000 88.67000 0.00000 0.00000 0.00000 9.10000 17.42000 0.00000 -1.44000 0.00000 -1.14000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_16.PDB 25.80000 -42.04000 -12.52000 -64.40000 -3.15000 84.10000 -79.58000 16.81000 31.85000 88.48000 0.00000 0.00000 0.00000 9.05000 17.35000 0.00000 -1.73000 0.00000 -1.06000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_17.PDB 27.51000 -42.15000 -14.21000 -65.42000 -3.00000 85.57000 -80.49000 17.07000 33.94000 89.12000 0.00000 0.00000 0.00000 9.68000 17.69000 0.00000 -1.45000 0.00000 -1.15000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_18.PDB 28.76000 -41.34000 -13.62000 -65.57000 -3.04000 85.70000 -80.87000 17.33000 33.51000 89.38000 0.00000 0.00000 0.00000 9.98000 17.70000 0.00000 -1.48000 0.00000 -1.22000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_19.PDB 26.40000 -41.21000 -13.68000 -65.37000 -3.29000 85.60000 -80.65000 16.78000 32.77000 88.43000 0.00000 0.00000 0.00000 9.69000 17.59000 0.00000 -1.68000 0.00000 -0.98000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_20.PDB 26.50000 -41.31000 -12.93000 -65.44000 -3.21000 85.96000 -80.65000 16.79000 32.17000 88.35000 0.00000 0.00000 0.00000 9.60000 17.65000 0.00000 -1.96000 0.00000 -0.88000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_21.PDB 27.37000 -40.48000 -12.68000 -65.14000 -3.26000 84.65000 -80.49000 16.83000 32.50000 88.38000 0.00000 0.00000 0.00000 9.54000 17.62000 0.00000 -1.45000 0.00000 -1.04000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_22.PDB 27.54000 -42.29000 -12.26000 -65.02000 -2.75000 84.11000 -81.17000 18.07000 32.13000 89.51000 0.00000 0.00000 0.00000 9.48000 17.38000 0.00000 -1.78000 0.00000 -0.51000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_23.PDB 26.99000 -41.27000 -11.96000 -64.74000 -2.28000 82.62000 -81.04000 16.52000 32.04000 89.59000 0.00000 0.00000 0.00000 9.55000 17.34000 0.00000 -1.49000 0.00000 -0.56000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_24.PDB 26.99000 -41.32000 -10.79000 -65.10000 -2.37000 82.72000 -81.46000 16.56000 31.73000 89.62000 0.00000 0.00000 0.00000 9.30000 17.47000 0.00000 -1.38000 0.00000 -0.53000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_25.PDB 26.31000 -41.07000 -13.00000 -65.95000 -3.05000 85.78000 -81.42000 16.87000 32.98000 88.17000 0.00000 0.00000 0.00000 9.68000 17.68000 0.00000 -1.48000 0.00000 -1.20000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_26.PDB 27.82000 -41.21000 -12.34000 -64.93000 -3.44000 83.71000 -80.23000 16.82000 33.00000 89.55000 0.00000 0.00000 0.00000 9.40000 17.60000 0.00000 -1.46000 0.00000 -1.05000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_27.PDB 28.03000 -41.33000 -13.07000 -64.42000 -3.35000 83.44000 -79.63000 16.97000 32.77000 89.88000 0.00000 0.00000 0.00000 9.31000 17.40000 0.00000 -1.45000 0.00000 -1.09000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_28.PDB 26.09000 -41.92000 -13.59000 -65.67000 -2.93000 85.58000 -80.96000 16.92000 33.65000 88.03000 0.00000 0.00000 0.00000 9.69000 17.72000 0.00000 -1.61000 0.00000 -1.08000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_29.PDB 26.15000 -41.90000 -14.25000 -65.45000 -3.01000 85.52000 -80.56000 16.83000 33.91000 88.08000 0.00000 0.00000 0.00000 9.59000 17.65000 0.00000 -1.49000 0.00000 -1.12000 0.00000 0.00000 64.00000 BEM1-D1_JO8-LCK-12_30.PDB 28.18000 -42.13000 -11.68000 -64.93000 -3.04000 84.90000 -80.01000 17.12000 31.58000 89.47000 0.00000 0.00000 0.00000 9.39000 17.58000 0.00000 -1.81000 0.00000 -0.69000 0.00000 0.00000 64.00000