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-26_1.PDB 7.07912 -8.45000 -0.90000 -4.10000 -7.11000 -0.10000 6.32000 -9.48000 0.64000 4.23000 2.32000 0.00000 0.00000 0.00000 0.06000 0.96000 0.00000 -0.23000 0.00000 -0.10000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_2.PDB 7.07257 -8.55000 -0.87000 -3.97000 -6.69000 -0.14000 6.26000 -8.99000 0.55000 3.78000 2.12000 0.00000 0.00000 0.00000 0.05000 0.73000 0.00000 -0.51000 0.00000 -0.14000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_3.PDB 5.38807 -7.00000 -0.77000 -4.02000 -5.57000 -0.10000 5.26000 -7.27000 0.48000 2.88000 2.32000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.12000 0.00000 -0.10000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_4.PDB 6.60829 -7.36000 -0.87000 -2.47000 -7.05000 -0.09000 6.21000 -9.40000 0.57000 3.69000 2.19000 0.00000 0.00000 0.00000 0.04000 0.91000 0.00000 -0.07000 0.00000 -0.11000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_5.PDB 6.45681 -7.90000 -2.38000 -5.63000 -6.49000 -0.25000 7.78000 -7.87000 0.36000 4.38000 2.42000 0.00000 0.00000 0.00000 0.31000 0.47000 0.00000 -0.24000 0.00000 -0.28000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_6.PDB 5.58122 -6.48000 -0.79000 -4.00000 -5.66000 -0.05000 5.41000 -7.33000 0.72000 2.94000 2.44000 0.00000 0.00000 0.00000 0.02000 0.39000 0.00000 -0.14000 0.00000 -0.06000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_7.PDB 6.55933 -8.56000 -0.87000 -3.96000 -6.64000 -0.09000 6.19000 -8.94000 0.46000 3.80000 2.07000 0.00000 0.00000 0.00000 0.04000 0.86000 0.00000 -0.54000 0.00000 -0.10000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_8.PDB 5.55982 -6.09000 -0.73000 -2.45000 -5.48000 -0.12000 5.38000 -7.19000 0.40000 2.33000 2.23000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.33000 0.00000 -0.14000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_9.PDB 6.85679 -8.39000 -0.80000 -3.89000 -7.02000 -0.22000 6.27000 -9.33000 0.51000 4.08000 2.40000 0.00000 0.00000 0.00000 0.03000 0.95000 0.00000 -0.18000 0.00000 -0.25000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_10.PDB 6.45264 -7.22000 -0.86000 -2.45000 -7.11000 -0.32000 6.76000 -9.42000 0.56000 3.70000 2.37000 0.00000 0.00000 0.00000 0.03000 0.98000 0.00000 -0.11000 0.00000 -0.37000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_11.PDB 5.39889 -7.18000 -0.77000 -4.02000 -5.57000 -0.25000 5.46000 -7.24000 0.46000 2.97000 2.46000 0.00000 0.00000 0.00000 0.02000 0.39000 0.00000 -0.37000 0.00000 -0.31000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_12.PDB 6.51488 -7.41000 -0.82000 -2.41000 -7.11000 -0.33000 6.43000 -9.42000 0.73000 3.90000 2.31000 0.00000 0.00000 0.00000 0.05000 0.90000 0.00000 -0.33000 0.00000 -0.40000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_13.PDB 6.57559 -7.68000 -0.90000 -2.51000 -7.02000 -0.11000 6.13000 -9.40000 0.62000 3.70000 2.19000 0.00000 0.00000 0.00000 0.04000 0.86000 0.00000 -0.30000 0.00000 -0.13000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_14.PDB 6.66792 -7.42000 -0.83000 -2.39000 -7.12000 -0.27000 6.63000 -9.51000 0.53000 3.72000 2.19000 0.00000 0.00000 0.00000 0.05000 0.95000 0.00000 -0.06000 0.00000 -0.35000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_15.PDB 5.52831 -6.16000 -0.73000 -2.45000 -5.60000 -0.34000 5.65000 -7.33000 0.41000 2.50000 2.58000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.44000 0.00000 -0.43000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_16.PDB 6.32599 -8.59000 -0.88000 -4.00000 -7.04000 -0.10000 6.50000 -9.41000 0.68000 3.94000 2.08000 0.00000 0.00000 0.00000 0.04000 0.92000 0.00000 -0.27000 0.00000 -0.12000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_17.PDB 5.67157 -6.83000 -0.69000 -3.95000 -5.60000 -0.21000 5.54000 -7.25000 0.41000 2.97000 2.42000 0.00000 0.00000 0.00000 0.02000 0.42000 0.00000 -0.22000 0.00000 -0.27000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_18.PDB 5.40379 -6.66000 -0.71000 -3.93000 -5.55000 -0.07000 5.31000 -7.19000 0.37000 2.91000 2.41000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.16000 0.00000 -0.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_19.PDB 5.43334 -6.00000 -0.77000 -2.53000 -5.59000 -0.31000 5.63000 -7.30000 0.54000 2.53000 2.49000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.32000 0.00000 -0.39000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_20.PDB 6.18540 -5.81000 -0.81000 -2.50000 -5.55000 -0.14000 5.44000 -7.28000 0.47000 2.39000 2.41000 0.00000 0.00000 0.00000 0.02000 0.42000 0.00000 -0.10000 0.00000 -0.17000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_21.PDB 7.49136 -6.91000 -2.61000 -2.56000 -7.72000 -1.01000 8.22000 -9.58000 1.61000 4.79000 2.62000 0.00000 0.00000 0.00000 0.17000 0.93000 0.00000 -0.23000 0.00000 -0.61000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_22.PDB 6.49662 -8.11000 -0.89000 -3.98000 -6.79000 -0.24000 6.32000 -9.06000 0.51000 4.04000 2.34000 0.00000 0.00000 0.00000 0.04000 0.82000 0.00000 -0.10000 0.00000 -0.31000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_23.PDB 6.33830 -8.84000 -1.73000 -4.00000 -7.31000 -0.98000 7.35000 -9.21000 0.59000 5.12000 2.51000 0.00000 0.00000 0.00000 0.06000 0.97000 0.00000 -0.64000 0.00000 -0.59000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_24.PDB 6.73273 -8.16000 -0.84000 -2.43000 -7.17000 -0.17000 6.34000 -9.50000 0.45000 3.74000 1.71000 0.00000 0.00000 0.00000 0.05000 0.96000 0.00000 -0.17000 0.00000 -0.17000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_25.PDB 6.67781 -7.79000 -0.90000 -2.51000 -7.31000 -0.23000 6.92000 -9.59000 0.70000 3.72000 2.03000 0.00000 0.00000 0.00000 0.05000 0.93000 0.00000 -0.42000 0.00000 -0.25000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_26.PDB 6.56062 -8.51000 -0.88000 -3.99000 -7.08000 -0.21000 6.73000 -9.40000 0.65000 4.06000 2.21000 0.00000 0.00000 0.00000 0.03000 0.95000 0.00000 -0.36000 0.00000 -0.26000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_27.PDB 5.40361 -6.15000 -0.72000 -1.59000 -5.42000 -0.90000 5.01000 -7.00000 0.42000 2.42000 2.59000 0.00000 0.00000 0.00000 0.02000 0.37000 0.00000 -0.48000 0.00000 -0.51000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_28.PDB 6.33563 -8.60000 -0.83000 -3.13000 -6.85000 -0.82000 6.06000 -8.98000 0.48000 4.05000 2.31000 0.00000 0.00000 0.00000 0.06000 0.88000 0.00000 -0.55000 0.00000 -0.41000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_29.PDB 5.49127 -6.56000 -0.77000 -4.02000 -5.56000 -0.24000 5.50000 -7.19000 0.53000 3.06000 2.65000 0.00000 0.00000 0.00000 0.02000 0.42000 0.00000 -0.23000 0.00000 -0.31000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-26_30.PDB 6.53928 -7.18000 -0.88000 -2.54000 -7.17000 -0.13000 6.46000 -9.46000 0.52000 3.79000 2.37000 0.00000 0.00000 0.00000 0.05000 0.96000 0.00000 -0.06000 0.00000 -0.13000 0.00000 2.38000 65.00000