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-1_1.PDB 27.91000 -44.85000 -15.12000 -72.20000 -3.31000 94.39000 -88.46000 22.50000 36.29000 94.92000 0.00000 0.00000 0.00000 8.40000 17.60000 0.00000 -3.32000 0.00000 -1.33000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_2.PDB 27.50000 -44.88000 -15.89000 -72.00000 -4.49000 94.92000 -87.62000 20.63000 37.10000 94.84000 0.00000 0.00000 0.00000 9.98000 17.43000 0.00000 -3.55000 0.00000 -1.53000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_3.PDB 27.93000 -42.50000 -16.41000 -71.97000 -3.63000 93.62000 -88.30000 21.50000 35.20000 94.39000 0.00000 0.00000 0.00000 10.49000 17.42000 0.00000 -2.90000 0.00000 -1.56000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_4.PDB 28.10000 -43.11000 -13.78000 -71.56000 -2.92000 92.76000 -87.65000 20.42000 34.81000 94.03000 0.00000 0.00000 0.00000 10.36000 17.44000 0.00000 -3.61000 0.00000 -1.65000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_5.PDB 27.87000 -42.45000 -17.26000 -72.14000 -3.19000 93.78000 -88.66000 21.23000 35.92000 94.62000 0.00000 0.00000 0.00000 10.42000 17.55000 0.00000 -3.03000 0.00000 -1.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_6.PDB 30.00000 -42.65000 -14.65000 -72.05000 -3.10000 92.85000 -88.59000 22.47000 35.25000 94.50000 0.00000 0.00000 0.00000 10.37000 17.44000 0.00000 -2.94000 0.00000 -1.46000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_7.PDB 27.96000 -45.00000 -15.18000 -73.60000 -2.46000 95.53000 -90.58000 22.31000 37.18000 95.14000 0.00000 0.00000 0.00000 9.64000 17.66000 0.00000 -3.74000 0.00000 -1.29000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_8.PDB 27.66000 -42.18000 -17.21000 -71.46000 -3.32000 93.36000 -87.69000 20.32000 35.59000 94.20000 0.00000 0.00000 0.00000 10.48000 17.44000 0.00000 -3.01000 0.00000 -1.44000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_9.PDB 28.98000 -43.17000 -13.40000 -71.93000 -2.07000 92.57000 -88.70000 21.32000 34.76000 94.37000 0.00000 0.00000 0.00000 9.51000 17.39000 0.00000 -3.27000 0.00000 -1.00000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_10.PDB 28.96000 -43.22000 -14.63000 -71.96000 -3.29000 93.14000 -88.37000 21.41000 35.02000 94.33000 0.00000 0.00000 0.00000 10.68000 17.44000 0.00000 -2.62000 0.00000 -1.53000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_11.PDB 28.88000 -44.86000 -15.91000 -72.36000 -3.07000 94.10000 -88.55000 23.29000 36.39000 95.01000 0.00000 0.00000 0.00000 9.66000 17.57000 0.00000 -3.38000 0.00000 -1.44000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_12.PDB 27.31000 -43.27000 -16.42000 -72.82000 -3.41000 94.36000 -89.21000 21.40000 35.31000 95.05000 0.00000 0.00000 0.00000 10.49000 17.51000 0.00000 -2.71000 0.00000 -1.47000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_13.PDB 27.13000 -44.84000 -15.18000 -71.57000 -3.61000 94.18000 -87.53000 20.35000 36.05000 94.21000 0.00000 0.00000 0.00000 10.30000 17.44000 0.00000 -3.44000 0.00000 -1.78000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_14.PDB 28.83000 -44.34000 -15.62000 -72.50000 -2.73000 94.96000 -89.03000 21.44000 36.45000 94.46000 0.00000 0.00000 0.00000 10.55000 17.49000 0.00000 -3.59000 0.00000 -1.23000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_15.PDB 28.19000 -44.24000 -17.80000 -72.38000 -3.67000 95.42000 -88.39000 21.48000 37.24000 94.38000 0.00000 0.00000 0.00000 11.07000 17.42000 0.00000 -3.49000 0.00000 -1.44000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_16.PDB 28.02000 -43.23000 -13.59000 -70.84000 -2.32000 91.44000 -87.07000 20.65000 34.04000 93.39000 0.00000 0.00000 0.00000 10.01000 17.36000 0.00000 -3.16000 0.00000 -1.30000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_17.PDB 25.85000 -43.37000 -17.50000 -72.50000 -3.67000 94.31000 -88.75000 22.81000 36.16000 94.50000 0.00000 0.00000 0.00000 8.84000 17.58000 0.00000 -3.29000 0.00000 -1.68000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_18.PDB 26.99000 -42.43000 -17.42000 -71.89000 -3.54000 93.47000 -88.39000 21.59000 36.07000 93.93000 0.00000 0.00000 0.00000 10.14000 17.45000 0.00000 -3.25000 0.00000 -1.29000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_19.PDB 28.30000 -45.55000 -16.23000 -70.61000 -3.84000 93.38000 -86.12000 20.52000 35.90000 95.28000 0.00000 0.00000 0.00000 10.26000 17.22000 0.00000 -3.34000 0.00000 -1.35000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_20.PDB 26.74000 -42.94000 -15.84000 -72.89000 -3.62000 94.42000 -89.04000 21.01000 36.13000 94.52000 0.00000 0.00000 0.00000 9.31000 17.78000 0.00000 -2.54000 0.00000 -1.77000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_21.PDB 25.61000 -43.68000 -17.38000 -72.08000 -3.54000 93.66000 -88.80000 21.38000 35.79000 95.17000 0.00000 0.00000 0.00000 9.20000 17.70000 0.00000 -2.57000 0.00000 -1.55000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_22.PDB 27.75000 -44.16000 -17.16000 -72.04000 -3.87000 94.63000 -87.94000 20.76000 35.44000 95.85000 0.00000 0.00000 0.00000 10.89000 17.47000 0.00000 -3.00000 0.00000 -1.64000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_23.PDB 28.98000 -44.49000 -14.45000 -72.35000 -2.81000 94.41000 -89.39000 22.10000 35.55000 95.33000 0.00000 0.00000 0.00000 9.57000 17.85000 0.00000 -3.36000 0.00000 -1.14000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_24.PDB 27.59000 -44.41000 -17.99000 -72.42000 -3.18000 94.81000 -88.70000 21.28000 36.45000 95.71000 0.00000 0.00000 0.00000 10.45000 17.53000 0.00000 -3.04000 0.00000 -1.36000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_25.PDB 28.45000 -44.96000 -13.82000 -71.59000 -3.50000 93.89000 -87.76000 20.34000 34.88000 94.80000 0.00000 0.00000 0.00000 10.77000 17.53000 0.00000 -3.27000 0.00000 -1.33000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_26.PDB 26.60000 -44.97000 -14.15000 -74.32000 -3.43000 96.05000 -91.57000 23.24000 37.50000 95.18000 0.00000 0.00000 0.00000 8.57000 17.85000 0.00000 -3.91000 0.00000 -1.60000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_27.PDB 27.85000 -42.54000 -16.33000 -71.67000 -3.32000 93.32000 -88.14000 21.30000 34.73000 94.25000 0.00000 0.00000 0.00000 10.39000 17.59000 0.00000 -2.80000 0.00000 -1.35000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_28.PDB 26.14000 -45.06000 -18.91000 -72.78000 -3.64000 95.30000 -88.40000 21.32000 37.53000 95.53000 0.00000 0.00000 0.00000 10.69000 17.69000 0.00000 -3.69000 0.00000 -1.75000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_29.PDB 28.32000 -42.43000 -14.16000 -72.37000 -3.17000 92.82000 -89.34000 21.22000 34.78000 94.43000 0.00000 0.00000 0.00000 10.56000 17.63000 0.00000 -2.65000 0.00000 -1.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-1_30.PDB 27.58000 -42.65000 -16.41000 -72.56000 -3.18000 93.50000 -89.77000 21.90000 35.29000 94.84000 0.00000 0.00000 0.00000 10.43000 17.75000 0.00000 -2.62000 0.00000 -1.18000 0.00000 0.00000 66.00000