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-28_1.PDB 24.94000 -42.63000 -16.14000 -71.14000 -1.83000 93.93000 -87.69000 18.53000 34.12000 93.12000 0.00000 0.00000 0.00000 8.29000 18.83000 0.00000 -2.53000 0.00000 -1.09000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_2.PDB 25.34000 -43.79000 -14.52000 -72.92000 -2.63000 95.51000 -89.78000 19.74000 36.73000 93.31000 0.00000 0.00000 0.00000 8.40000 19.09000 0.00000 -2.79000 0.00000 -1.92000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_3.PDB 26.92000 -44.70000 -15.94000 -72.07000 -2.66000 94.95000 -88.46000 18.65000 36.27000 94.03000 0.00000 0.00000 0.00000 10.58000 18.90000 0.00000 -2.27000 0.00000 -1.46000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_4.PDB 25.25000 -42.73000 -15.74000 -72.46000 -2.29000 95.46000 -89.32000 18.68000 35.32000 92.64000 0.00000 0.00000 0.00000 9.07000 19.04000 0.00000 -2.45000 0.00000 -0.93000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_5.PDB 25.53000 -41.96000 -14.99000 -72.33000 -2.15000 95.15000 -89.05000 19.06000 34.87000 92.48000 0.00000 0.00000 0.00000 8.61000 19.21000 0.00000 -2.78000 0.00000 -1.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_6.PDB 26.48000 -44.29000 -14.63000 -72.22000 -2.32000 94.34000 -88.64000 18.70000 36.02000 94.15000 0.00000 0.00000 0.00000 9.54000 18.96000 0.00000 -2.44000 0.00000 -1.71000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_7.PDB 25.26000 -43.52000 -12.81000 -71.43000 -2.83000 93.18000 -87.85000 19.02000 33.82000 92.34000 0.00000 0.00000 0.00000 8.86000 18.84000 0.00000 -2.17000 0.00000 -1.36000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_8.PDB 27.05000 -41.84000 -14.01000 -71.42000 -2.59000 93.33000 -88.13000 19.71000 34.31000 92.72000 0.00000 0.00000 0.00000 8.69000 19.07000 0.00000 -2.35000 0.00000 -1.39000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_9.PDB 25.08000 -43.84000 -19.77000 -72.23000 -2.63000 96.42000 -87.95000 18.37000 36.75000 94.84000 0.00000 0.00000 0.00000 9.17000 20.33000 0.00000 -2.25000 0.00000 -1.77000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_10.PDB 26.67000 -42.46000 -12.69000 -71.67000 -1.69000 92.88000 -88.61000 17.98000 33.54000 94.54000 0.00000 0.00000 0.00000 8.62000 19.63000 0.00000 -2.41000 0.00000 -1.37000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_11.PDB 23.10000 -42.75000 -18.67000 -72.82000 -2.53000 96.02000 -89.29000 18.56000 35.99000 93.62000 0.00000 0.00000 0.00000 8.59000 20.30000 0.00000 -2.32000 0.00000 -1.32000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_12.PDB 26.09000 -45.13000 -17.33000 -72.85000 -2.59000 95.78000 -88.98000 18.85000 37.53000 95.32000 0.00000 0.00000 0.00000 9.51000 19.82000 0.00000 -2.27000 0.00000 -1.74000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_13.PDB 25.20000 -44.45000 -16.86000 -73.10000 -2.71000 95.73000 -89.48000 18.42000 37.13000 95.44000 0.00000 0.00000 0.00000 9.64000 20.00000 0.00000 -2.42000 0.00000 -2.14000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_14.PDB 23.89000 -42.02000 -15.54000 -72.98000 -2.52000 94.54000 -89.79000 18.39000 35.05000 93.93000 0.00000 0.00000 0.00000 8.89000 20.20000 0.00000 -2.42000 0.00000 -1.65000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_15.PDB 23.23000 -43.67000 -16.31000 -72.90000 -2.69000 94.64000 -89.51000 18.40000 36.24000 93.98000 0.00000 0.00000 0.00000 8.91000 20.08000 0.00000 -2.34000 0.00000 -1.54000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_16.PDB 24.31000 -44.51000 -15.16000 -73.50000 -1.50000 94.90000 -91.07000 19.19000 36.66000 93.88000 0.00000 0.00000 0.00000 8.45000 18.62000 0.00000 -2.23000 0.00000 -0.81000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_17.PDB 26.42000 -42.70000 -13.04000 -72.88000 -2.75000 94.90000 -89.66000 18.43000 35.29000 94.06000 0.00000 0.00000 0.00000 9.03000 19.57000 0.00000 -2.49000 0.00000 -1.77000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_18.PDB 24.59000 -43.53000 -13.71000 -72.08000 -1.47000 92.75000 -89.61000 19.47000 34.02000 93.36000 0.00000 0.00000 0.00000 8.81000 18.69000 0.00000 -2.35000 0.00000 -1.08000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_19.PDB 28.33000 -44.88000 -15.43000 -72.86000 -2.14000 95.63000 -89.90000 20.32000 36.44000 93.94000 0.00000 0.00000 0.00000 10.94000 18.18000 0.00000 -2.43000 0.00000 -1.29000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_20.PDB 23.67000 -42.69000 -14.24000 -71.30000 -1.70000 92.43000 -88.48000 18.96000 33.26000 91.84000 0.00000 0.00000 0.00000 8.89000 18.50000 0.00000 -2.53000 0.00000 -0.76000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_21.PDB 25.31000 -44.70000 -15.15000 -72.46000 -2.15000 94.59000 -89.16000 19.23000 35.94000 93.83000 0.00000 0.00000 0.00000 9.67000 18.49000 0.00000 -2.70000 0.00000 -1.63000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_22.PDB 25.27000 -41.53000 -12.18000 -71.04000 -1.80000 91.77000 -88.63000 18.63000 32.45000 92.13000 0.00000 0.00000 0.00000 9.23000 18.03000 0.00000 -2.77000 0.00000 -1.00000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_23.PDB 24.49000 -42.53000 -16.29000 -73.55000 -3.05000 94.84000 -90.46000 21.56000 35.28000 93.81000 0.00000 0.00000 0.00000 8.40000 19.41000 0.00000 -2.07000 0.00000 -1.45000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_24.PDB 25.19000 -44.18000 -13.11000 -71.75000 -2.30000 93.06000 -88.77000 20.25000 34.53000 92.15000 0.00000 0.00000 0.00000 8.97000 18.38000 0.00000 -2.43000 0.00000 -1.22000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_25.PDB 24.24000 -43.75000 -17.01000 -72.46000 -2.70000 95.84000 -88.42000 19.85000 35.53000 92.37000 0.00000 0.00000 0.00000 8.28000 19.26000 0.00000 -2.14000 0.00000 -1.16000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_26.PDB 26.15000 -41.73000 -12.07000 -71.47000 -2.02000 92.07000 -88.61000 18.70000 32.54000 93.48000 0.00000 0.00000 0.00000 8.92000 18.89000 0.00000 -2.45000 0.00000 -1.20000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_27.PDB 25.93000 -44.64000 -21.40000 -72.78000 -2.94000 97.08000 -88.65000 21.06000 38.51000 94.22000 0.00000 0.00000 0.00000 9.46000 19.50000 0.00000 -2.45000 0.00000 -1.55000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_28.PDB 24.80000 -43.89000 -15.78000 -72.75000 -1.90000 94.45000 -89.15000 18.74000 35.32000 94.92000 0.00000 0.00000 0.00000 8.75000 20.24000 0.00000 -2.50000 0.00000 -1.40000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_29.PDB 24.48000 -42.12000 -16.60000 -72.53000 -2.06000 94.83000 -89.45000 18.42000 36.23000 92.38000 0.00000 0.00000 0.00000 9.02000 18.91000 0.00000 -2.52000 0.00000 -1.11000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-28_30.PDB 24.66000 -42.95000 -15.00000 -71.61000 -2.00000 92.47000 -88.81000 19.21000 34.75000 92.99000 0.00000 0.00000 0.00000 9.16000 18.48000 0.00000 -2.43000 0.00000 -1.13000 0.00000 0.00000 66.00000