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-11_1.PDB 24.04000 -40.18000 -12.90000 -66.27000 -1.84000 83.99000 -82.85000 17.29000 32.08000 89.89000 0.00000 0.00000 0.00000 8.64000 17.25000 0.00000 -2.98000 0.00000 -0.83000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_2.PDB 23.02000 -41.02000 -11.97000 -67.23000 -1.54000 84.62000 -84.08000 18.49000 31.82000 89.40000 0.00000 0.00000 0.00000 8.13000 17.17000 0.00000 -2.86000 0.00000 -0.76000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_3.PDB 26.50000 -41.56000 -12.42000 -66.83000 -1.90000 86.36000 -82.89000 17.50000 32.08000 91.42000 0.00000 0.00000 0.00000 8.51000 17.25000 0.00000 -2.65000 0.00000 -1.11000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_4.PDB 25.94000 -41.06000 -12.89000 -68.09000 -2.85000 86.89000 -84.51000 18.22000 33.55000 91.67000 0.00000 0.00000 0.00000 8.45000 17.25000 0.00000 -2.34000 0.00000 -1.09000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_5.PDB 25.11000 -40.23000 -13.53000 -67.12000 -1.92000 86.04000 -83.14000 17.37000 32.79000 89.94000 0.00000 0.00000 0.00000 8.48000 17.20000 0.00000 -2.45000 0.00000 -1.13000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_6.PDB 24.10000 -40.59000 -12.41000 -67.49000 -2.06000 85.64000 -84.14000 18.06000 32.46000 90.00000 0.00000 0.00000 0.00000 8.35000 17.26000 0.00000 -2.94000 0.00000 -0.78000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_7.PDB 25.57000 -39.68000 -12.30000 -66.69000 -2.63000 85.75000 -82.28000 16.30000 31.84000 90.65000 0.00000 0.00000 0.00000 8.76000 16.94000 0.00000 -2.63000 0.00000 -1.53000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_8.PDB 25.70000 -40.53000 -12.46000 -66.55000 -1.77000 85.18000 -82.68000 18.02000 31.97000 89.99000 0.00000 0.00000 0.00000 8.46000 16.98000 0.00000 -2.74000 0.00000 -1.19000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_9.PDB 23.23000 -41.44000 -13.23000 -67.10000 -1.65000 85.16000 -83.60000 17.66000 32.67000 90.05000 0.00000 0.00000 0.00000 8.09000 17.16000 0.00000 -2.44000 0.00000 -0.94000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_10.PDB 24.18000 -40.95000 -11.94000 -66.72000 -1.52000 84.29000 -83.53000 17.62000 31.66000 90.17000 0.00000 0.00000 0.00000 7.99000 17.21000 0.00000 -2.14000 0.00000 -0.75000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_11.PDB 24.08000 -41.80000 -12.72000 -67.66000 -1.45000 85.39000 -84.44000 18.12000 32.79000 90.66000 0.00000 0.00000 0.00000 8.16000 17.44000 0.00000 -2.19000 0.00000 -0.77000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_12.PDB 26.62000 -41.07000 -11.78000 -67.35000 -1.62000 85.02000 -84.54000 18.06000 32.31000 91.54000 0.00000 0.00000 0.00000 9.00000 17.58000 0.00000 -2.20000 0.00000 -0.75000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_13.PDB 25.34000 -41.84000 -12.79000 -68.02000 -2.06000 86.36000 -84.75000 18.06000 33.46000 91.99000 0.00000 0.00000 0.00000 8.58000 17.46000 0.00000 -2.78000 0.00000 -0.87000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_14.PDB 26.17000 -41.80000 -13.74000 -67.74000 -1.55000 87.45000 -83.71000 17.81000 33.33000 91.55000 0.00000 0.00000 0.00000 8.51000 17.31000 0.00000 -2.78000 0.00000 -1.17000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_15.PDB 25.07000 -40.52000 -12.53000 -67.03000 -1.61000 85.09000 -83.82000 17.59000 32.27000 90.16000 0.00000 0.00000 0.00000 8.50000 17.27000 0.00000 -2.30000 0.00000 -0.74000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_16.PDB 21.62000 -40.21000 -10.37000 -67.41000 -1.11000 83.64000 -84.65000 19.61000 30.10000 87.66000 0.00000 0.00000 0.00000 6.46000 17.70000 0.00000 -1.88000 0.00000 -0.23000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_17.PDB 25.63000 -41.08000 -11.90000 -67.81000 -2.17000 85.99000 -84.66000 17.80000 32.55000 91.69000 0.00000 0.00000 0.00000 8.44000 17.36000 0.00000 -2.43000 0.00000 -0.79000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_18.PDB 26.61000 -41.33000 -13.07000 -67.17000 -1.63000 86.45000 -83.09000 17.61000 33.03000 91.38000 0.00000 0.00000 0.00000 8.68000 17.15000 0.00000 -2.92000 0.00000 -1.34000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_19.PDB 27.32000 -41.56000 -10.93000 -67.36000 -1.91000 86.53000 -83.60000 17.97000 31.50000 91.35000 0.00000 0.00000 0.00000 8.54000 17.31000 0.00000 -2.09000 0.00000 -1.10000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_20.PDB 20.90000 -40.40000 -11.80000 -66.23000 -0.97000 83.45000 -82.67000 17.44000 30.57000 86.06000 0.00000 0.00000 0.00000 7.79000 17.23000 0.00000 -2.13000 0.00000 -0.20000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_21.PDB 26.08000 -41.08000 -12.88000 -67.42000 -1.93000 87.21000 -83.43000 17.54000 32.47000 91.15000 0.00000 0.00000 0.00000 8.49000 17.17000 0.00000 -2.88000 0.00000 -1.15000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_22.PDB 26.16000 -40.29000 -12.41000 -67.33000 -2.14000 85.11000 -83.94000 17.52000 32.52000 91.17000 0.00000 0.00000 0.00000 8.50000 17.27000 0.00000 -1.80000 0.00000 -0.75000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_23.PDB 26.79000 -40.20000 -9.95000 -67.03000 -1.97000 85.27000 -83.29000 18.10000 30.37000 91.09000 0.00000 0.00000 0.00000 8.51000 17.25000 0.00000 -2.92000 0.00000 -1.20000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_24.PDB 26.72000 -40.19000 -12.32000 -67.42000 -1.81000 85.41000 -83.70000 17.64000 32.59000 91.67000 0.00000 0.00000 0.00000 8.83000 17.21000 0.00000 -2.72000 0.00000 -1.28000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_25.PDB 25.51000 -40.57000 -11.36000 -67.33000 -1.70000 85.36000 -83.97000 17.77000 31.64000 90.19000 0.00000 0.00000 0.00000 8.20000 17.27000 0.00000 -2.45000 0.00000 -0.27000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_26.PDB 26.70000 -41.63000 -11.74000 -66.97000 -1.84000 86.51000 -83.08000 18.09000 31.87000 90.14000 0.00000 0.00000 0.00000 8.12000 17.28000 0.00000 -2.04000 0.00000 -0.72000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_27.PDB 24.26000 -41.06000 -11.14000 -66.89000 -1.18000 83.81000 -83.82000 18.51000 30.90000 90.03000 0.00000 0.00000 0.00000 7.92000 17.03000 0.00000 -2.50000 0.00000 -0.32000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_28.PDB 24.60000 -40.17000 -11.39000 -66.86000 -1.42000 85.55000 -82.96000 17.68000 30.81000 88.73000 0.00000 0.00000 0.00000 8.07000 17.29000 0.00000 -2.85000 0.00000 -0.58000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_29.PDB 24.32000 -40.57000 -11.76000 -67.44000 -1.33000 85.04000 -84.21000 18.12000 31.77000 89.20000 0.00000 0.00000 0.00000 8.14000 17.35000 0.00000 -2.41000 0.00000 -0.23000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-11_30.PDB 22.59000 -40.50000 -11.78000 -66.60000 -0.96000 83.79000 -83.36000 19.21000 30.83000 88.04000 0.00000 0.00000 0.00000 6.79000 16.67000 0.00000 -2.63000 0.00000 -0.24000 0.00000 0.00000 63.00000