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-4_1.PDB 33.92000 -40.68000 -13.48000 -72.68000 -2.65000 91.05000 -90.67000 26.43000 35.71000 93.47000 0.00000 0.00000 0.00000 10.45000 17.26000 0.00000 -2.03000 0.00000 -1.01000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_2.PDB 33.40000 -40.58000 -12.41000 -72.78000 -3.00000 90.99000 -90.76000 26.27000 35.69000 93.57000 0.00000 0.00000 0.00000 9.74000 17.25000 0.00000 -2.32000 0.00000 -1.01000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_3.PDB 31.47000 -40.67000 -12.78000 -72.08000 -2.79000 89.39000 -90.21000 26.92000 34.44000 92.23000 0.00000 0.00000 0.00000 9.90000 17.16000 0.00000 -1.90000 0.00000 -1.00000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_4.PDB 32.26000 -42.38000 -15.70000 -72.58000 -2.94000 92.04000 -90.36000 27.11000 37.43000 92.81000 0.00000 0.00000 0.00000 9.97000 17.05000 0.00000 -2.18000 0.00000 -0.96000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_5.PDB 33.73000 -42.87000 -13.44000 -72.50000 -3.04000 91.95000 -89.28000 27.94000 36.33000 92.76000 0.00000 0.00000 0.00000 9.98000 17.23000 0.00000 -2.63000 0.00000 -1.46000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_6.PDB 29.77000 -43.08000 -13.96000 -73.12000 -2.45000 91.62000 -91.06000 24.39000 37.46000 94.25000 0.00000 0.00000 0.00000 9.26000 17.34000 0.00000 -2.59000 0.00000 -0.98000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_7.PDB 31.37000 -40.68000 -12.46000 -72.49000 -2.62000 89.90000 -90.77000 26.63000 34.83000 92.43000 0.00000 0.00000 0.00000 9.66000 17.20000 0.00000 -2.06000 0.00000 -1.00000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_8.PDB 31.71000 -44.28000 -14.45000 -71.94000 -3.30000 92.68000 -88.92000 26.66000 36.53000 92.33000 0.00000 0.00000 0.00000 9.69000 17.29000 0.00000 -1.77000 0.00000 -1.52000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_9.PDB 34.36000 -43.73000 -13.90000 -71.92000 -2.64000 91.39000 -89.00000 26.03000 36.26000 93.76000 0.00000 0.00000 0.00000 11.38000 17.43000 0.00000 -2.42000 0.00000 -0.84000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_10.PDB 35.14000 -42.14000 -12.46000 -72.97000 -2.58000 91.15000 -91.28000 28.70000 35.55000 94.00000 0.00000 0.00000 0.00000 10.10000 17.44000 0.00000 -1.92000 0.00000 -1.00000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_11.PDB 32.78000 -40.65000 -15.61000 -72.46000 -2.73000 91.45000 -90.35000 27.07000 36.02000 93.23000 0.00000 0.00000 0.00000 9.96000 17.10000 0.00000 -2.17000 0.00000 -0.98000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_12.PDB 31.12000 -42.62000 -14.51000 -74.18000 -4.26000 93.93000 -92.11000 29.96000 36.37000 92.73000 0.00000 0.00000 0.00000 9.45000 17.27000 0.00000 -2.03000 0.00000 -1.60000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_13.PDB 27.22000 -42.14000 -15.13000 -70.67000 -2.98000 90.79000 -87.48000 22.12000 35.94000 91.81000 0.00000 0.00000 0.00000 8.95000 16.99000 0.00000 -2.48000 0.00000 -1.52000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_14.PDB 28.93000 -43.86000 -14.75000 -74.08000 -3.20000 93.14000 -92.13000 26.08000 37.84000 94.14000 0.00000 0.00000 0.00000 9.44000 17.36000 0.00000 -2.42000 0.00000 -1.26000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_15.PDB 32.88000 -40.62000 -14.85000 -72.04000 -3.35000 91.44000 -89.22000 26.94000 36.11000 92.75000 0.00000 0.00000 0.00000 8.91000 16.77000 0.00000 -1.85000 0.00000 -1.33000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_16.PDB 33.83000 -43.21000 -15.11000 -73.23000 -3.52000 92.92000 -90.90000 27.78000 38.13000 93.87000 0.00000 0.00000 0.00000 10.32000 16.93000 0.00000 -2.26000 0.00000 -0.95000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_17.PDB 32.12000 -42.99000 -12.45000 -71.38000 -2.35000 89.63000 -88.81000 26.48000 34.76000 92.49000 0.00000 0.00000 0.00000 10.31000 17.42000 0.00000 -2.39000 0.00000 -1.16000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_18.PDB 31.84000 -41.67000 -13.05000 -71.88000 -2.62000 90.15000 -89.81000 30.24000 34.28000 92.12000 0.00000 0.00000 0.00000 7.40000 17.45000 0.00000 -2.43000 0.00000 -0.87000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_19.PDB 31.85000 -43.65000 -16.17000 -71.49000 -3.74000 92.09000 -88.07000 26.33000 37.53000 92.78000 0.00000 0.00000 0.00000 10.10000 16.92000 0.00000 -2.21000 0.00000 -1.65000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_20.PDB 29.75000 -44.51000 -13.78000 -72.90000 -2.52000 92.85000 -90.37000 25.35000 36.07000 93.90000 0.00000 0.00000 0.00000 9.61000 17.38000 0.00000 -2.84000 0.00000 -1.11000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_21.PDB 30.75000 -42.83000 -15.53000 -73.04000 -3.49000 92.51000 -90.31000 26.67000 37.97000 93.37000 0.00000 0.00000 0.00000 9.36000 16.94000 0.00000 -2.29000 0.00000 -1.64000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_22.PDB 28.97000 -43.50000 -13.64000 -72.46000 -2.45000 91.74000 -89.99000 22.55000 37.22000 94.08000 0.00000 0.00000 0.00000 9.41000 17.15000 0.00000 -2.90000 0.00000 -1.07000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_23.PDB 30.34000 -42.06000 -14.06000 -73.34000 -3.29000 91.05000 -91.76000 28.57000 35.84000 92.59000 0.00000 0.00000 0.00000 9.82000 17.09000 0.00000 -2.05000 0.00000 -0.97000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_24.PDB 33.45000 -40.67000 -13.83000 -74.25000 -3.31000 93.31000 -92.27000 26.66000 36.78000 94.54000 0.00000 0.00000 0.00000 9.90000 17.20000 0.00000 -2.12000 0.00000 -1.30000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_25.PDB 31.50000 -42.91000 -13.56000 -71.20000 -3.30000 90.43000 -88.07000 27.58000 35.36000 91.90000 0.00000 0.00000 0.00000 9.00000 17.06000 0.00000 -2.20000 0.00000 -1.52000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_26.PDB 30.21000 -40.02000 -15.71000 -72.20000 -3.30000 91.87000 -89.64000 22.51000 36.70000 93.17000 0.00000 0.00000 0.00000 9.78000 17.71000 0.00000 -1.99000 0.00000 -0.96000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_27.PDB 31.42000 -43.51000 -12.77000 -72.75000 -3.04000 91.21000 -90.78000 27.74000 36.26000 92.53000 0.00000 0.00000 0.00000 9.50000 17.24000 0.00000 -2.19000 0.00000 -0.77000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_28.PDB 33.94000 -43.10000 -14.85000 -72.61000 -2.95000 92.07000 -90.08000 26.68000 37.75000 93.84000 0.00000 0.00000 0.00000 10.34000 17.13000 0.00000 -2.31000 0.00000 -0.85000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_29.PDB 32.63000 -44.68000 -13.85000 -72.99000 -2.92000 92.59000 -90.47000 27.40000 37.19000 94.01000 0.00000 0.00000 0.00000 10.03000 17.61000 0.00000 -2.48000 0.00000 -1.18000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-4_30.PDB 32.70000 -43.66000 -15.38000 -73.09000 -3.10000 92.92000 -90.07000 26.82000 36.85000 94.07000 0.00000 0.00000 0.00000 11.07000 17.25000 0.00000 -2.39000 0.00000 -1.34000 0.00000 0.00000 66.00000