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-20_1.PDB 24.79000 -42.81000 -15.62000 -67.78000 -2.61000 88.15000 -83.15000 20.65000 33.87000 91.76000 0.00000 0.00000 0.00000 6.61000 15.65000 0.00000 -2.77000 0.00000 -1.50000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_2.PDB 23.83000 -42.71000 -16.69000 -67.16000 -2.34000 87.40000 -82.48000 18.85000 33.63000 91.33000 0.00000 0.00000 0.00000 7.69000 15.63000 0.00000 -2.68000 0.00000 -1.02000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_3.PDB 22.36000 -42.74000 -18.69000 -68.07000 -3.05000 88.86000 -83.00000 18.13000 35.77000 91.76000 0.00000 0.00000 0.00000 7.99000 15.75000 0.00000 -3.12000 0.00000 -1.49000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_4.PDB 24.50000 -42.56000 -16.47000 -67.74000 -2.59000 88.34000 -82.97000 16.96000 34.52000 92.82000 0.00000 0.00000 0.00000 8.04000 15.64000 0.00000 -2.36000 0.00000 -1.47000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_5.PDB 24.62000 -43.49000 -16.93000 -68.58000 -2.74000 89.36000 -83.79000 20.06000 34.88000 92.83000 0.00000 0.00000 0.00000 8.03000 15.74000 0.00000 -3.30000 0.00000 -1.70000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_6.PDB 25.40000 -42.46000 -16.16000 -67.93000 -2.08000 88.11000 -83.38000 17.94000 33.95000 92.65000 0.00000 0.00000 0.00000 8.19000 15.59000 0.00000 -2.62000 0.00000 -0.82000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_7.PDB 25.64000 -42.08000 -12.24000 -67.46000 -2.13000 86.67000 -82.92000 19.89000 31.61000 91.72000 0.00000 0.00000 0.00000 6.53000 15.33000 0.00000 -2.88000 0.00000 -1.09000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_8.PDB 24.94000 -42.58000 -17.07000 -66.99000 -2.36000 87.26000 -82.17000 17.74000 34.27000 92.59000 0.00000 0.00000 0.00000 8.02000 15.71000 0.00000 -2.36000 0.00000 -1.41000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_9.PDB 27.44000 -42.66000 -19.00000 -67.84000 -2.25000 88.46000 -82.85000 20.80000 35.47000 92.27000 0.00000 0.00000 0.00000 8.70000 15.67000 0.00000 -2.58000 0.00000 -1.07000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_10.PDB 28.39000 -42.02000 -12.69000 -67.41000 -2.62000 86.57000 -82.87000 19.68000 32.58000 92.40000 0.00000 0.00000 0.00000 8.58000 15.60000 0.00000 -2.38000 0.00000 -1.41000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_11.PDB 25.26000 -41.99000 -18.16000 -67.76000 -2.62000 88.28000 -82.71000 19.67000 35.25000 92.26000 0.00000 0.00000 0.00000 7.94000 15.64000 0.00000 -3.70000 0.00000 -1.20000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_12.PDB 25.88000 -42.02000 -15.40000 -67.72000 -2.60000 88.11000 -83.17000 18.13000 33.97000 92.72000 0.00000 0.00000 0.00000 7.88000 15.58000 0.00000 -2.44000 0.00000 -1.58000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_13.PDB 24.72000 -42.66000 -16.03000 -67.20000 -2.45000 87.70000 -82.46000 17.85000 33.60000 92.42000 0.00000 0.00000 0.00000 8.21000 15.66000 0.00000 -2.71000 0.00000 -1.55000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_14.PDB 25.94000 -42.06000 -15.16000 -67.30000 -2.65000 87.32000 -82.80000 18.92000 33.82000 92.37000 0.00000 0.00000 0.00000 7.86000 15.61000 0.00000 -2.79000 0.00000 -1.59000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_15.PDB 25.70000 -42.63000 -15.78000 -67.30000 -2.70000 87.92000 -82.58000 19.35000 33.66000 92.26000 0.00000 0.00000 0.00000 7.69000 15.56000 0.00000 -2.63000 0.00000 -1.56000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_16.PDB 24.04000 -42.66000 -15.49000 -66.73000 -2.71000 86.97000 -82.03000 17.57000 33.28000 91.71000 0.00000 0.00000 0.00000 7.95000 15.55000 0.00000 -2.28000 0.00000 -1.53000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_17.PDB 25.46000 -41.82000 -13.69000 -67.25000 -2.42000 86.44000 -82.92000 20.04000 31.94000 91.01000 0.00000 0.00000 0.00000 7.75000 15.78000 0.00000 -2.62000 0.00000 -0.99000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_18.PDB 24.03000 -42.27000 -14.30000 -66.70000 -2.08000 86.52000 -81.86000 17.06000 32.24000 90.92000 0.00000 0.00000 0.00000 7.61000 15.69000 0.00000 -2.23000 0.00000 -0.90000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_19.PDB 23.08000 -42.51000 -13.63000 -67.05000 -2.83000 87.07000 -82.41000 17.26000 32.39000 91.33000 0.00000 0.00000 0.00000 7.74000 15.53000 0.00000 -2.84000 0.00000 -1.45000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_20.PDB 25.21000 -42.61000 -13.69000 -66.89000 -2.62000 87.30000 -82.15000 18.94000 32.46000 91.65000 0.00000 0.00000 0.00000 6.85000 15.35000 0.00000 -2.35000 0.00000 -1.67000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_21.PDB 23.76000 -42.71000 -14.46000 -68.08000 -2.08000 87.46000 -83.85000 17.90000 32.83000 92.34000 0.00000 0.00000 0.00000 7.85000 15.69000 0.00000 -2.56000 0.00000 -0.86000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_22.PDB 23.44000 -42.07000 -18.35000 -67.49000 -2.72000 88.33000 -82.31000 18.03000 35.50000 91.63000 0.00000 0.00000 0.00000 8.14000 15.75000 0.00000 -3.94000 0.00000 -1.31000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_23.PDB 26.20000 -41.98000 -13.17000 -67.57000 -2.82000 87.58000 -83.06000 18.37000 32.88000 92.74000 0.00000 0.00000 0.00000 7.59000 15.54000 0.00000 -2.69000 0.00000 -1.65000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_24.PDB 24.84000 -42.86000 -17.32000 -67.99000 -2.79000 88.64000 -83.18000 19.41000 35.12000 92.62000 0.00000 0.00000 0.00000 7.84000 15.76000 0.00000 -2.79000 0.00000 -1.88000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_25.PDB 26.52000 -42.13000 -15.57000 -68.22000 -2.09000 88.44000 -83.58000 19.31000 33.66000 92.16000 0.00000 0.00000 0.00000 8.09000 15.90000 0.00000 -2.41000 0.00000 -1.15000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_26.PDB 24.29000 -44.05000 -16.95000 -69.05000 -2.40000 91.19000 -83.73000 18.10000 35.03000 92.75000 0.00000 0.00000 0.00000 7.96000 15.78000 0.00000 -3.50000 0.00000 -1.07000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_27.PDB 24.49000 -43.01000 -16.35000 -66.89000 -2.21000 87.24000 -81.99000 18.38000 33.31000 91.85000 0.00000 0.00000 0.00000 7.85000 15.75000 0.00000 -2.60000 0.00000 -1.10000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_28.PDB 25.43000 -41.92000 -16.36000 -66.58000 -2.56000 86.66000 -81.82000 17.73000 34.17000 92.39000 0.00000 0.00000 0.00000 7.85000 15.64000 0.00000 -2.48000 0.00000 -1.65000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_29.PDB 25.28000 -42.71000 -14.45000 -67.96000 -2.28000 88.05000 -83.58000 18.73000 33.07000 92.35000 0.00000 0.00000 0.00000 7.86000 15.70000 0.00000 -2.65000 0.00000 -1.14000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-20_30.PDB 25.32000 -41.99000 -16.09000 -68.14000 -3.27000 88.80000 -83.31000 18.25000 34.78000 92.68000 0.00000 0.00000 0.00000 8.13000 15.68000 0.00000 -2.75000 0.00000 -1.77000 0.00000 0.00000 65.00000