name Intraclash total energy Backbone Hbond 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-4_1.PDB 11.21161 -3.17000 -0.24000 -4.22000 -10.83000 -1.87000 11.09000 -13.77000 6.40000 7.57000 3.07000 0.00000 0.00000 0.00000 0.73000 1.28000 0.00000 -0.09000 0.00000 -1.01000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_2.PDB 10.19173 -2.57000 -0.22000 -3.21000 -10.80000 -2.12000 10.93000 -13.56000 6.63000 7.43000 3.12000 0.00000 0.00000 0.00000 0.62000 1.37000 0.00000 -0.37000 0.00000 -1.01000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_3.PDB 10.26018 -4.03000 -0.24000 -3.55000 -10.47000 -1.99000 9.81000 -13.56000 7.41000 6.42000 2.66000 0.00000 0.00000 0.00000 0.62000 1.35000 0.00000 -0.13000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_4.PDB 11.74096 -4.14000 -0.27000 -4.73000 -11.08000 -1.86000 10.88000 -14.22000 7.62000 8.24000 2.28000 0.00000 0.00000 0.00000 0.51000 1.16000 0.00000 -0.57000 0.00000 -0.96000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_5.PDB 9.10505 -2.53000 -1.80000 -3.66000 -10.70000 -2.19000 11.24000 -12.97000 8.00000 7.71000 3.21000 0.00000 0.00000 0.00000 0.58000 1.39000 0.00000 -0.48000 0.00000 -1.46000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_6.PDB 8.92765 -7.22000 -2.06000 -4.19000 -11.54000 -1.70000 11.57000 -14.68000 4.95000 8.74000 3.24000 0.00000 0.00000 0.00000 0.33000 1.23000 0.00000 -0.89000 0.00000 -0.98000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_7.PDB 10.03132 -3.66000 -0.22000 -3.14000 -10.53000 -1.83000 10.00000 -13.74000 7.11000 6.46000 2.77000 0.00000 0.00000 0.00000 0.58000 1.29000 0.00000 -0.12000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_8.PDB 10.13920 -5.25000 -1.91000 -3.28000 -11.04000 -2.52000 11.87000 -13.83000 6.83000 7.38000 2.62000 0.00000 0.00000 0.00000 0.43000 1.16000 0.00000 -0.29000 0.00000 -1.52000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_9.PDB 11.33006 -3.20000 -1.91000 -3.28000 -11.00000 -1.22000 10.58000 -13.78000 6.30000 7.64000 3.61000 0.00000 0.00000 0.00000 1.09000 1.57000 0.00000 -0.38000 0.00000 -0.84000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_10.PDB 11.71345 -4.02000 -0.83000 -2.30000 -11.13000 -1.91000 10.33000 -14.69000 7.02000 6.90000 3.27000 0.00000 0.00000 0.00000 0.67000 1.61000 0.00000 -0.35000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_11.PDB 10.44162 -4.29000 -0.23000 -6.32000 -10.53000 -1.92000 11.53000 -13.26000 6.78000 7.86000 2.82000 0.00000 0.00000 0.00000 0.56000 1.24000 0.00000 -0.58000 0.00000 -0.98000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_12.PDB 10.76664 -5.06000 -0.52000 -3.56000 -10.77000 -3.36000 11.36000 -13.73000 8.08000 6.38000 2.67000 0.00000 0.00000 0.00000 0.49000 1.24000 0.00000 -0.51000 0.00000 -1.60000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_13.PDB 8.53025 -9.35000 -0.97000 -5.09000 -10.32000 -2.27000 11.41000 -12.83000 1.82000 7.99000 3.04000 0.00000 0.00000 0.00000 0.20000 0.83000 0.00000 -0.82000 0.00000 -1.52000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_14.PDB 11.46782 -8.27000 -2.08000 -4.22000 -12.22000 -2.34000 12.34000 -15.60000 6.47000 8.32000 2.79000 0.00000 0.00000 0.00000 0.48000 1.22000 0.00000 -0.93000 0.00000 -1.26000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_15.PDB 8.68371 -3.21000 -0.11000 -5.55000 -9.99000 -2.47000 10.86000 -12.40000 6.90000 7.92000 3.08000 0.00000 0.00000 0.00000 0.29000 0.90000 0.00000 -0.41000 0.00000 -1.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_16.PDB 10.80098 -4.64000 -0.65000 -3.69000 -11.37000 -1.90000 10.46000 -14.83000 7.90000 8.15000 2.13000 0.00000 0.00000 0.00000 0.79000 1.37000 0.00000 -0.67000 0.00000 -0.95000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_17.PDB 9.63976 -4.75000 -1.97000 -2.65000 -10.44000 -1.62000 9.91000 -13.48000 6.90000 6.87000 2.99000 0.00000 0.00000 0.00000 0.67000 1.49000 0.00000 -0.76000 0.00000 -1.16000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_18.PDB 9.57958 -2.83000 -0.44000 -3.02000 -9.90000 -1.75000 9.45000 -12.71000 8.42000 5.80000 2.47000 0.00000 0.00000 0.00000 0.21000 1.32000 0.00000 -0.49000 0.00000 -0.87000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_19.PDB 9.53043 -4.39000 -1.82000 -5.52000 -10.58000 -2.73000 11.64000 -12.64000 6.73000 8.96000 3.34000 0.00000 0.00000 0.00000 0.57000 1.07000 0.00000 -0.67000 0.00000 -1.65000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_20.PDB 10.20925 -8.98000 -2.03000 -2.49000 -11.17000 -1.91000 11.30000 -14.27000 4.67000 6.31000 2.78000 0.00000 0.00000 0.00000 0.42000 1.39000 0.00000 -1.47000 0.00000 -1.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_21.PDB 8.83770 -5.24000 -1.80000 -5.70000 -11.14000 -2.75000 12.09000 -13.53000 7.17000 9.27000 3.12000 0.00000 0.00000 0.00000 0.36000 1.12000 0.00000 -0.70000 0.00000 -1.64000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_22.PDB 9.35171 -6.19000 -1.81000 -3.17000 -10.29000 -1.67000 11.10000 -12.82000 3.38000 7.30000 3.41000 0.00000 0.00000 0.00000 0.27000 1.00000 0.00000 -0.82000 0.00000 -1.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_23.PDB 10.52255 -5.26000 -0.76000 -3.96000 -11.19000 -2.13000 10.17000 -14.85000 8.63000 6.61000 2.72000 0.00000 0.00000 0.00000 0.63000 1.37000 0.00000 -0.14000 0.00000 -0.97000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_24.PDB 11.16280 -3.94000 -0.24000 -4.54000 -12.00000 -2.50000 12.45000 -15.13000 7.02000 8.42000 3.94000 0.00000 0.00000 0.00000 0.63000 1.34000 0.00000 -0.68000 0.00000 -1.30000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_25.PDB 9.47454 -3.95000 -1.88000 -3.73000 -10.02000 -2.56000 10.66000 -12.28000 7.46000 7.21000 3.02000 0.00000 0.00000 0.00000 0.23000 1.23000 0.00000 -0.54000 0.00000 -1.52000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_26.PDB 8.04955 -6.48000 -0.39000 -6.45000 -10.92000 -2.07000 12.01000 -13.74000 5.19000 8.17000 3.16000 0.00000 0.00000 0.00000 0.25000 1.06000 0.00000 -0.72000 0.00000 -0.96000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_27.PDB 10.10470 -2.92000 -0.25000 -0.11000 -10.52000 -1.48000 9.02000 -14.17000 8.05000 4.87000 2.45000 0.00000 0.00000 0.00000 0.42000 1.27000 0.00000 -0.43000 0.00000 -0.77000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_28.PDB 10.61293 -3.19000 -1.03000 -3.92000 -11.25000 -1.82000 11.02000 -14.06000 6.73000 8.70000 3.34000 0.00000 0.00000 0.00000 0.70000 1.22000 0.00000 -0.73000 0.00000 -0.85000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_29.PDB 10.46811 -3.79000 -2.00000 -2.35000 -11.81000 -2.24000 11.67000 -14.76000 7.69000 7.87000 3.54000 0.00000 0.00000 0.00000 0.63000 1.75000 0.00000 -0.84000 0.00000 -1.18000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-4_30.PDB 10.60563 -5.38000 -1.91000 -4.82000 -11.38000 -2.46000 12.21000 -13.81000 6.91000 7.75000 3.48000 0.00000 0.00000 0.00000 0.91000 1.40000 0.00000 -0.92000 0.00000 -1.34000 0.00000 2.38000 66.00000