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-19_1.PDB 29.77000 -40.11000 -13.94000 -67.80000 -2.65000 86.52000 -84.68000 20.05000 32.28000 94.29000 0.00000 0.00000 0.00000 8.92000 16.60000 0.00000 -2.40000 0.00000 -0.71000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_2.PDB 30.87000 -40.12000 -12.48000 -66.94000 -2.46000 85.69000 -83.71000 21.25000 30.99000 93.35000 0.00000 0.00000 0.00000 8.44000 16.47000 0.00000 -2.47000 0.00000 -0.66000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_3.PDB 31.68000 -40.07000 -12.82000 -67.28000 -2.48000 85.98000 -84.22000 23.03000 31.21000 94.34000 0.00000 0.00000 0.00000 7.07000 16.52000 0.00000 -2.34000 0.00000 -0.73000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_4.PDB 30.73000 -40.19000 -12.60000 -67.06000 -2.47000 85.39000 -83.98000 23.15000 30.90000 93.43000 0.00000 0.00000 0.00000 7.14000 16.69000 0.00000 -2.35000 0.00000 -0.64000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_5.PDB 32.40000 -40.03000 -12.56000 -67.29000 -2.34000 86.00000 -84.08000 21.72000 31.13000 94.13000 0.00000 0.00000 0.00000 8.64000 16.44000 0.00000 -2.29000 0.00000 -0.63000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_6.PDB 31.98000 -40.12000 -12.43000 -67.49000 -2.32000 86.18000 -84.41000 21.25000 31.39000 94.41000 0.00000 0.00000 0.00000 8.59000 16.57000 0.00000 -2.41000 0.00000 -0.65000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_7.PDB 32.61000 -40.14000 -12.48000 -66.68000 -2.50000 85.58000 -83.26000 21.11000 31.08000 94.33000 0.00000 0.00000 0.00000 8.66000 16.32000 0.00000 -2.32000 0.00000 -0.76000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_8.PDB 33.03000 -40.17000 -12.48000 -66.87000 -2.50000 85.70000 -83.51000 21.78000 31.13000 94.53000 0.00000 0.00000 0.00000 8.64000 16.41000 0.00000 -2.41000 0.00000 -0.81000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_9.PDB 32.04000 -40.18000 -12.59000 -67.84000 -2.46000 86.72000 -84.76000 21.34000 31.62000 94.73000 0.00000 0.00000 0.00000 8.55000 16.59000 0.00000 -2.46000 0.00000 -0.64000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_10.PDB 30.95000 -40.16000 -14.15000 -66.61000 -2.41000 85.68000 -83.15000 20.84000 31.80000 93.79000 0.00000 0.00000 0.00000 8.50000 16.38000 0.00000 -2.50000 0.00000 -0.67000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_11.PDB 31.05000 -40.20000 -12.61000 -67.31000 -2.36000 85.83000 -84.08000 21.55000 31.12000 93.54000 0.00000 0.00000 0.00000 8.36000 16.54000 0.00000 -2.22000 0.00000 -0.57000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_12.PDB 31.31000 -40.14000 -12.52000 -66.78000 -2.46000 85.37000 -83.52000 20.83000 30.90000 93.75000 0.00000 0.00000 0.00000 8.85000 16.42000 0.00000 -2.26000 0.00000 -0.71000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_13.PDB 29.11000 -40.12000 -12.50000 -67.26000 -1.83000 85.18000 -84.48000 19.02000 31.30000 94.17000 0.00000 0.00000 0.00000 8.65000 16.40000 0.00000 -2.40000 0.00000 -0.62000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_14.PDB 29.70000 -40.12000 -13.92000 -67.06000 -1.98000 85.64000 -83.64000 20.09000 31.86000 93.34000 0.00000 0.00000 0.00000 8.58000 16.46000 0.00000 -2.43000 0.00000 -0.67000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_15.PDB 31.50000 -40.54000 -11.25000 -67.47000 -2.66000 86.24000 -84.16000 21.12000 31.61000 93.63000 0.00000 0.00000 0.00000 8.53000 16.45000 0.00000 -2.52000 0.00000 -1.03000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_16.PDB 30.02000 -39.30000 -14.93000 -67.44000 -2.31000 86.23000 -84.09000 19.40000 32.41000 94.38000 0.00000 0.00000 0.00000 8.75000 16.50000 0.00000 -2.22000 0.00000 -0.87000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_17.PDB 30.28000 -40.52000 -11.06000 -67.27000 -2.67000 85.74000 -84.15000 20.87000 31.32000 92.87000 0.00000 0.00000 0.00000 8.57000 16.51000 0.00000 -2.37000 0.00000 -1.05000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_18.PDB 32.22000 -40.12000 -12.67000 -67.37000 -2.41000 86.23000 -84.11000 21.13000 31.35000 94.61000 0.00000 0.00000 0.00000 8.56000 16.34000 0.00000 -2.33000 0.00000 -0.65000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_19.PDB 29.41000 -40.16000 -12.53000 -66.74000 -1.83000 84.77000 -83.71000 19.75000 30.82000 93.31000 0.00000 0.00000 0.00000 8.56000 16.45000 0.00000 -2.20000 0.00000 -0.64000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_20.PDB 32.37000 -39.63000 -12.06000 -67.29000 -2.51000 85.85000 -84.12000 21.43000 31.53000 93.77000 0.00000 0.00000 0.00000 8.76000 16.51000 0.00000 -2.31000 0.00000 -1.06000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_21.PDB 31.79000 -40.15000 -12.71000 -68.08000 -2.33000 86.79000 -84.93000 21.01000 31.60000 94.64000 0.00000 0.00000 0.00000 8.83000 16.59000 0.00000 -2.27000 0.00000 -0.60000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_22.PDB 30.38000 -39.78000 -13.71000 -67.97000 -2.77000 87.03000 -84.61000 20.98000 32.53000 93.22000 0.00000 0.00000 0.00000 8.86000 16.62000 0.00000 -2.37000 0.00000 -1.04000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_23.PDB 33.20000 -40.07000 -14.05000 -67.41000 -2.30000 86.25000 -84.24000 22.42000 32.29000 94.76000 0.00000 0.00000 0.00000 8.53000 16.47000 0.00000 -2.31000 0.00000 -0.68000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_24.PDB 30.86000 -40.54000 -15.22000 -68.05000 -2.72000 87.64000 -85.06000 21.20000 33.36000 94.96000 0.00000 0.00000 0.00000 8.65000 16.48000 0.00000 -2.47000 0.00000 -0.88000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_25.PDB 31.23000 -39.57000 -12.39000 -68.34000 -2.87000 87.10000 -85.71000 20.64000 32.05000 94.65000 0.00000 0.00000 0.00000 8.90000 16.55000 0.00000 -2.35000 0.00000 -0.88000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_26.PDB 31.97000 -40.27000 -11.61000 -66.82000 -2.71000 85.51000 -83.86000 20.99000 30.80000 94.11000 0.00000 0.00000 0.00000 8.63000 16.43000 0.00000 -2.13000 0.00000 -0.68000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_27.PDB 30.74000 -39.30000 -15.07000 -67.72000 -2.75000 87.16000 -84.68000 20.78000 32.47000 94.30000 0.00000 0.00000 0.00000 8.79000 16.57000 0.00000 -2.34000 0.00000 -0.88000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_28.PDB 31.00000 -40.10000 -12.27000 -68.77000 -3.32000 87.46000 -86.16000 22.22000 31.96000 94.64000 0.00000 0.00000 0.00000 8.77000 16.71000 0.00000 -2.34000 0.00000 -1.08000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_29.PDB 32.33000 -40.09000 -12.36000 -67.43000 -2.54000 86.38000 -84.27000 21.13000 31.50000 94.92000 0.00000 0.00000 0.00000 8.41000 16.54000 0.00000 -2.55000 0.00000 -0.77000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-19_30.PDB 31.77000 -40.12000 -14.53000 -67.71000 -2.75000 87.13000 -84.74000 21.06000 32.78000 95.41000 0.00000 0.00000 0.00000 8.63000 16.47000 0.00000 -2.43000 0.00000 -0.95000 0.00000 0.00000 65.00000