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-23_1.PDB 24.82000 -41.84000 -12.59000 -66.40000 -2.18000 86.05000 -82.08000 18.90000 31.68000 87.50000 0.00000 0.00000 0.00000 8.76000 17.32000 0.00000 -2.27000 0.00000 -0.70000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_2.PDB 22.67000 -41.35000 -10.96000 -66.49000 -2.36000 85.48000 -82.29000 17.62000 30.64000 87.02000 0.00000 0.00000 0.00000 8.31000 17.46000 0.00000 -2.11000 0.00000 -0.83000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_3.PDB 26.06000 -41.85000 -11.19000 -66.27000 -1.37000 85.27000 -82.57000 18.73000 30.63000 87.50000 0.00000 0.00000 0.00000 9.35000 17.28000 0.00000 -1.91000 0.00000 -0.25000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_4.PDB 24.65000 -43.03000 -13.10000 -66.24000 -2.23000 86.33000 -82.09000 17.47000 32.66000 88.36000 0.00000 0.00000 0.00000 9.39000 17.47000 0.00000 -2.12000 0.00000 -0.75000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_5.PDB 24.71000 -43.16000 -13.33000 -66.10000 -2.18000 85.67000 -81.71000 18.75000 32.66000 88.24000 0.00000 0.00000 0.00000 8.86000 17.52000 0.00000 -2.17000 0.00000 -0.82000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_6.PDB 24.33000 -41.40000 -10.13000 -66.69000 -1.58000 84.92000 -83.15000 19.69000 30.07000 86.99000 0.00000 0.00000 0.00000 8.12000 17.50000 0.00000 -2.25000 0.00000 -0.28000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_7.PDB 24.81000 -43.03000 -13.24000 -65.87000 -2.34000 85.84000 -81.55000 18.80000 32.56000 88.32000 0.00000 0.00000 0.00000 8.19000 17.46000 0.00000 -2.18000 0.00000 -0.69000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_8.PDB 23.41000 -43.13000 -13.26000 -66.15000 -2.34000 85.26000 -81.87000 17.91000 32.74000 88.51000 0.00000 0.00000 0.00000 8.84000 17.52000 0.00000 -2.31000 0.00000 -0.80000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_9.PDB 24.90000 -42.40000 -10.87000 -66.07000 -1.38000 84.68000 -82.39000 18.03000 30.62000 88.04000 0.00000 0.00000 0.00000 8.74000 17.40000 0.00000 -1.84000 0.00000 -0.25000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_10.PDB 25.91000 -42.76000 -12.30000 -66.75000 -1.36000 85.83000 -82.96000 18.72000 31.83000 88.30000 0.00000 0.00000 0.00000 9.49000 17.34000 0.00000 -1.82000 0.00000 -0.32000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_11.PDB 24.09000 -42.44000 -14.24000 -65.79000 -2.48000 86.04000 -81.00000 18.68000 32.84000 87.20000 0.00000 0.00000 0.00000 8.47000 17.30000 0.00000 -1.96000 0.00000 -1.22000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_12.PDB 26.65000 -42.96000 -13.19000 -66.14000 -2.03000 85.93000 -81.60000 18.96000 32.42000 88.46000 0.00000 0.00000 0.00000 9.64000 17.39000 0.00000 -2.14000 0.00000 -0.72000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_13.PDB 25.72000 -42.18000 -10.87000 -65.98000 -1.65000 85.23000 -81.96000 19.20000 30.38000 87.83000 0.00000 0.00000 0.00000 7.91000 17.49000 0.00000 -1.95000 0.00000 -0.24000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_14.PDB 24.59000 -42.94000 -14.02000 -66.04000 -2.83000 86.72000 -81.33000 17.70000 32.21000 89.02000 0.00000 0.00000 0.00000 9.07000 17.55000 0.00000 -1.87000 0.00000 -1.09000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_15.PDB 25.18000 -42.33000 -12.53000 -65.72000 -2.15000 85.10000 -81.46000 18.83000 31.66000 88.14000 0.00000 0.00000 0.00000 8.83000 17.46000 0.00000 -2.38000 0.00000 -0.80000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_16.PDB 24.27000 -42.23000 -10.92000 -66.31000 -1.63000 84.92000 -82.48000 18.77000 30.85000 87.83000 0.00000 0.00000 0.00000 7.92000 17.58000 0.00000 -2.09000 0.00000 -0.36000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_17.PDB 24.98000 -40.87000 -12.01000 -65.31000 -2.27000 84.36000 -80.81000 18.57000 30.43000 87.52000 0.00000 0.00000 0.00000 8.38000 17.40000 0.00000 -2.29000 0.00000 -0.73000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_18.PDB 25.17000 -42.61000 -13.53000 -65.94000 -2.16000 86.36000 -81.11000 20.09000 31.47000 87.30000 0.00000 0.00000 0.00000 8.74000 17.26000 0.00000 -2.69000 0.00000 -0.74000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_19.PDB 25.46000 -42.24000 -12.53000 -65.87000 -2.45000 85.26000 -81.40000 18.91000 31.69000 88.83000 0.00000 0.00000 0.00000 8.39000 17.68000 0.00000 -2.34000 0.00000 -0.79000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_20.PDB 24.02000 -42.06000 -12.33000 -66.48000 -2.35000 85.64000 -82.13000 19.02000 31.78000 88.13000 0.00000 0.00000 0.00000 7.93000 17.65000 0.00000 -2.31000 0.00000 -0.82000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_21.PDB 23.61000 -41.21000 -13.13000 -66.31000 -2.72000 86.39000 -81.45000 19.24000 30.77000 86.78000 0.00000 0.00000 0.00000 8.06000 17.50000 0.00000 -2.15000 0.00000 -0.66000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_22.PDB 25.25000 -41.74000 -11.95000 -66.08000 -2.16000 84.98000 -82.64000 19.43000 31.85000 87.52000 0.00000 0.00000 0.00000 8.92000 17.50000 0.00000 -2.16000 0.00000 -0.72000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_23.PDB 25.80000 -42.54000 -11.08000 -65.69000 -1.32000 84.37000 -81.92000 18.77000 30.37000 88.10000 0.00000 0.00000 0.00000 8.86000 17.31000 0.00000 -1.87000 0.00000 -0.25000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_24.PDB 24.26000 -42.86000 -12.27000 -65.83000 -1.79000 85.31000 -81.62000 18.99000 31.77000 87.28000 0.00000 0.00000 0.00000 7.96000 17.28000 0.00000 -1.88000 0.00000 -0.79000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_25.PDB 26.00000 -41.84000 -11.14000 -66.66000 -1.31000 85.46000 -82.99000 18.93000 30.69000 88.37000 0.00000 0.00000 0.00000 8.69000 17.38000 0.00000 -1.87000 0.00000 -0.31000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_26.PDB 27.36000 -43.49000 -13.10000 -66.32000 -1.57000 86.29000 -82.23000 18.96000 32.64000 89.00000 0.00000 0.00000 0.00000 9.63000 17.55000 0.00000 -2.11000 0.00000 -0.34000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_27.PDB 23.49000 -41.61000 -11.88000 -65.77000 -2.41000 84.63000 -82.20000 18.12000 32.06000 87.28000 0.00000 0.00000 0.00000 8.31000 17.27000 0.00000 -2.31000 0.00000 -0.72000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_28.PDB 24.61000 -43.05000 -13.73000 -65.29000 -2.77000 85.91000 -80.55000 18.79000 32.83000 87.88000 0.00000 0.00000 0.00000 8.05000 17.30000 0.00000 -2.22000 0.00000 -1.25000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_29.PDB 25.26000 -42.29000 -10.93000 -65.94000 -2.30000 84.91000 -82.00000 17.83000 30.79000 88.90000 0.00000 0.00000 0.00000 9.10000 17.47000 0.00000 -2.01000 0.00000 -0.81000 0.00000 0.00000 63.00000 BEM1-D1_JO8-LCK-23_30.PDB 25.39000 -43.06000 -13.23000 -65.72000 -2.06000 85.25000 -81.23000 17.75000 32.26000 89.11000 0.00000 0.00000 0.00000 9.49000 17.50000 0.00000 -2.34000 0.00000 -0.85000 0.00000 0.00000 63.00000