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-14_1.PDB 27.68000 -41.54000 -12.01000 -69.59000 -1.67000 87.30000 -87.81000 21.05000 32.69000 92.56000 0.00000 0.00000 0.00000 9.01000 19.19000 0.00000 -1.99000 0.00000 -0.32000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_2.PDB 27.56000 -41.63000 -10.80000 -70.16000 -1.95000 88.02000 -88.92000 22.05000 33.14000 92.99000 0.00000 0.00000 0.00000 7.51000 19.30000 0.00000 -2.00000 0.00000 -0.69000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_3.PDB 28.15000 -41.35000 -10.06000 -69.51000 -2.00000 87.79000 -87.68000 20.96000 32.24000 91.74000 0.00000 0.00000 0.00000 8.78000 19.55000 0.00000 -1.96000 0.00000 -0.80000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_4.PDB 26.66000 -41.54000 -12.02000 -68.85000 -1.75000 87.20000 -86.62000 20.28000 31.96000 91.51000 0.00000 0.00000 0.00000 8.77000 19.31000 0.00000 -1.92000 0.00000 -0.38000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_5.PDB 27.84000 -41.00000 -11.47000 -68.54000 -1.78000 86.57000 -86.40000 20.55000 31.84000 91.63000 0.00000 0.00000 0.00000 8.95000 19.17000 0.00000 -2.03000 0.00000 -0.48000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_6.PDB 27.13000 -41.58000 -11.18000 -69.68000 -1.95000 87.48000 -88.03000 20.72000 32.94000 91.69000 0.00000 0.00000 0.00000 9.27000 19.32000 0.00000 -1.95000 0.00000 -0.59000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_7.PDB 27.49000 -41.60000 -10.32000 -69.28000 -1.82000 86.70000 -87.53000 20.37000 32.25000 92.66000 0.00000 0.00000 0.00000 8.76000 19.17000 0.00000 -2.04000 0.00000 -0.65000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_8.PDB 26.66000 -41.47000 -12.80000 -70.15000 -1.63000 88.32000 -88.12000 20.06000 33.31000 92.72000 0.00000 0.00000 0.00000 8.73000 19.30000 0.00000 -2.00000 0.00000 -0.32000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_9.PDB 29.05000 -41.67000 -10.58000 -71.78000 -2.14000 90.56000 -90.82000 23.16000 34.27000 93.60000 0.00000 0.00000 0.00000 7.29000 19.57000 0.00000 -2.09000 0.00000 -0.75000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_10.PDB 28.37000 -42.22000 -11.80000 -69.98000 -2.11000 88.90000 -88.00000 21.91000 33.51000 92.03000 0.00000 0.00000 0.00000 8.77000 19.37000 0.00000 -1.95000 0.00000 -0.68000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_11.PDB 27.06000 -41.47000 -11.09000 -69.91000 -2.18000 87.83000 -88.30000 20.99000 33.27000 92.32000 0.00000 0.00000 0.00000 8.20000 19.39000 0.00000 -1.90000 0.00000 -0.69000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_12.PDB 28.76000 -41.01000 -10.29000 -70.06000 -2.07000 88.28000 -88.64000 20.66000 32.50000 93.00000 0.00000 0.00000 0.00000 9.19000 19.25000 0.00000 -2.14000 0.00000 -0.66000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_13.PDB 25.87000 -41.51000 -11.10000 -69.22000 -2.04000 86.70000 -87.65000 20.07000 32.83000 91.95000 0.00000 0.00000 0.00000 8.74000 19.27000 0.00000 -2.24000 0.00000 -0.66000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_14.PDB 26.95000 -41.64000 -13.37000 -70.00000 -1.66000 87.96000 -88.22000 23.37000 33.20000 92.61000 0.00000 0.00000 0.00000 6.78000 19.64000 0.00000 -1.84000 0.00000 -0.25000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_15.PDB 26.03000 -41.41000 -11.86000 -69.21000 -1.60000 86.91000 -87.55000 20.39000 32.22000 92.58000 0.00000 0.00000 0.00000 7.91000 19.29000 0.00000 -2.08000 0.00000 -0.27000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_16.PDB 27.45000 -41.56000 -11.00000 -69.80000 -2.07000 88.04000 -88.25000 19.57000 33.11000 93.23000 0.00000 0.00000 0.00000 8.74000 19.23000 0.00000 -1.93000 0.00000 -0.63000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_17.PDB 26.32000 -41.17000 -10.74000 -69.45000 -2.10000 86.90000 -88.30000 23.17000 32.46000 92.80000 0.00000 0.00000 0.00000 5.74000 19.51000 0.00000 -2.33000 0.00000 -0.66000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_18.PDB 26.40000 -41.53000 -12.00000 -68.75000 -1.64000 86.36000 -86.87000 20.81000 32.20000 91.60000 0.00000 0.00000 0.00000 8.58000 19.10000 0.00000 -2.11000 0.00000 -0.23000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_19.PDB 28.70000 -40.44000 -9.16000 -69.57000 -2.00000 87.64000 -87.86000 19.78000 31.48000 92.45000 0.00000 0.00000 0.00000 8.89000 19.22000 0.00000 -1.90000 0.00000 -0.61000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_20.PDB 27.58000 -42.23000 -10.96000 -70.03000 -1.74000 87.83000 -87.96000 20.59000 32.88000 92.84000 0.00000 0.00000 0.00000 8.77000 19.29000 0.00000 -2.08000 0.00000 -0.33000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_21.PDB 28.47000 -41.60000 -11.88000 -71.05000 -2.03000 89.50000 -89.32000 20.97000 34.37000 93.56000 0.00000 0.00000 0.00000 8.67000 19.23000 0.00000 -1.99000 0.00000 -0.74000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_22.PDB 26.48000 -41.51000 -12.87000 -69.63000 -1.78000 87.64000 -87.39000 20.74000 32.98000 91.79000 0.00000 0.00000 0.00000 8.86000 19.28000 0.00000 -2.00000 0.00000 -0.36000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_23.PDB 27.98000 -41.53000 -11.14000 -69.74000 -2.03000 88.08000 -87.87000 20.51000 32.74000 92.86000 0.00000 0.00000 0.00000 8.71000 19.46000 0.00000 -2.02000 0.00000 -0.61000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_24.PDB 27.47000 -40.80000 -10.29000 -69.57000 -2.14000 87.31000 -88.18000 19.54000 32.16000 93.18000 0.00000 0.00000 0.00000 8.95000 19.20000 0.00000 -2.03000 0.00000 -0.66000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_25.PDB 26.73000 -42.48000 -12.08000 -69.87000 -2.01000 88.84000 -87.75000 20.34000 33.74000 92.08000 0.00000 0.00000 0.00000 8.63000 19.10000 0.00000 -1.93000 0.00000 -0.78000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_26.PDB 26.87000 -41.46000 -11.94000 -69.22000 -1.76000 87.21000 -87.10000 20.62000 32.25000 91.61000 0.00000 0.00000 0.00000 8.89000 19.12000 0.00000 -1.92000 0.00000 -0.32000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_27.PDB 27.34000 -41.62000 -12.10000 -69.70000 -1.64000 87.70000 -87.76000 19.73000 32.81000 93.22000 0.00000 0.00000 0.00000 8.90000 19.19000 0.00000 -1.99000 0.00000 -0.22000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_28.PDB 27.22000 -41.59000 -12.07000 -69.33000 -1.71000 87.53000 -87.18000 19.64000 32.31000 93.06000 0.00000 0.00000 0.00000 8.78000 19.40000 0.00000 -1.93000 0.00000 -0.30000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_29.PDB 28.15000 -41.62000 -11.04000 -70.47000 -2.24000 88.72000 -89.15000 21.00000 33.81000 93.25000 0.00000 0.00000 0.00000 8.72000 19.35000 0.00000 -2.02000 0.00000 -0.81000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-14_30.PDB 27.74000 -42.19000 -13.08000 -70.73000 -2.13000 89.75000 -88.79000 20.64000 34.43000 93.39000 0.00000 0.00000 0.00000 9.05000 19.42000 0.00000 -2.08000 0.00000 -0.52000 0.00000 0.00000 65.00000