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-2_1.PDB 10.67583 -4.67000 -2.28000 -3.70000 -10.28000 -1.84000 10.64000 -13.09000 6.26000 7.34000 3.42000 0.00000 0.00000 0.00000 0.72000 1.27000 0.00000 -0.59000 0.00000 -1.27000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_2.PDB 10.49350 -6.03000 -1.72000 -3.78000 -9.86000 -2.11000 10.12000 -12.60000 5.71000 6.75000 3.58000 0.00000 0.00000 0.00000 0.55000 1.05000 0.00000 -1.10000 0.00000 -1.57000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_3.PDB 9.37630 -4.51000 -0.54000 -4.26000 -10.19000 -2.19000 9.87000 -13.12000 7.51000 7.19000 1.95000 0.00000 0.00000 0.00000 0.84000 1.30000 0.00000 -0.53000 0.00000 -1.03000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_4.PDB 8.96287 -5.89000 -1.89000 -3.31000 -9.91000 -1.66000 9.37000 -12.86000 6.33000 7.11000 2.23000 0.00000 0.00000 0.00000 0.45000 1.23000 0.00000 -0.64000 0.00000 -1.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_5.PDB 9.95944 -5.12000 -2.27000 -3.71000 -10.01000 -1.54000 10.11000 -12.71000 5.96000 7.30000 3.23000 0.00000 0.00000 0.00000 0.46000 1.22000 0.00000 -1.01000 0.00000 -0.95000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_6.PDB 10.60221 -5.29000 -2.59000 -4.00000 -9.22000 -1.73000 9.40000 -11.72000 5.80000 6.78000 3.56000 0.00000 0.00000 0.00000 0.41000 1.21000 0.00000 -0.76000 0.00000 -1.23000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_7.PDB 9.43768 -4.89000 -2.54000 -2.52000 -9.98000 -1.45000 10.38000 -12.84000 5.79000 6.26000 3.29000 0.00000 0.00000 0.00000 0.57000 1.22000 0.00000 -0.95000 0.00000 -0.89000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_8.PDB 11.40540 -3.56000 -1.43000 -2.81000 -9.53000 -1.62000 8.91000 -12.48000 6.66000 6.47000 3.88000 0.00000 0.00000 0.00000 0.63000 1.15000 0.00000 -1.05000 0.00000 -1.19000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_9.PDB 11.41130 -6.20000 -0.98000 -4.66000 -10.11000 -2.31000 10.70000 -12.79000 6.82000 7.16000 2.03000 0.00000 0.00000 0.00000 0.65000 1.12000 0.00000 -1.48000 0.00000 -1.23000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_10.PDB 9.20783 -6.03000 -2.22000 -3.60000 -10.72000 -1.92000 11.09000 -13.80000 6.69000 7.34000 2.51000 0.00000 0.00000 0.00000 0.70000 1.15000 0.00000 -0.89000 0.00000 -1.21000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_11.PDB 10.46366 -6.20000 -2.60000 -3.90000 -9.63000 -1.82000 9.90000 -12.21000 5.95000 7.00000 3.01000 0.00000 0.00000 0.00000 0.65000 1.31000 0.00000 -1.21000 0.00000 -1.34000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_12.PDB 10.76634 -5.10000 -0.57000 -4.93000 -10.44000 -2.18000 10.55000 -13.49000 6.80000 7.22000 3.00000 0.00000 0.00000 0.00000 0.69000 1.14000 0.00000 -0.40000 0.00000 -1.34000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_13.PDB 9.31124 -4.33000 -1.88000 -3.24000 -10.64000 -1.42000 10.54000 -13.62000 6.58000 7.62000 2.94000 0.00000 0.00000 0.00000 0.55000 1.26000 0.00000 -0.92000 0.00000 -0.83000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_14.PDB 11.97935 -7.58000 -2.27000 -6.39000 -10.96000 -2.99000 11.81000 -13.53000 6.98000 8.14000 3.61000 0.00000 0.00000 0.00000 1.11000 1.32000 0.00000 -1.15000 0.00000 -1.95000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_15.PDB 10.76522 -4.74000 -2.25000 -3.59000 -10.40000 -1.32000 10.20000 -13.63000 6.77000 7.17000 3.05000 0.00000 0.00000 0.00000 0.54000 1.15000 0.00000 -0.37000 0.00000 -0.90000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_16.PDB 10.24807 -5.30000 -0.53000 -4.77000 -10.93000 -2.43000 11.90000 -13.77000 7.08000 6.69000 3.05000 0.00000 0.00000 0.00000 0.93000 1.08000 0.00000 -0.99000 0.00000 -1.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_17.PDB 9.46200 -3.42000 -0.50000 -6.60000 -9.26000 -2.25000 10.37000 -11.72000 6.74000 8.25000 2.96000 0.00000 0.00000 0.00000 0.26000 0.79000 0.00000 -0.14000 0.00000 -1.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_18.PDB 10.16092 -4.87000 -1.41000 -7.04000 -11.18000 -2.59000 12.20000 -13.65000 6.58000 9.67000 4.00000 0.00000 0.00000 0.00000 0.73000 1.29000 0.00000 -0.70000 0.00000 -1.47000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_19.PDB 9.05526 -3.37000 -0.51000 -2.60000 -9.31000 -1.52000 8.85000 -12.38000 6.28000 6.13000 3.32000 0.00000 0.00000 0.00000 0.23000 0.79000 0.00000 -0.52000 0.00000 -1.34000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_20.PDB 10.60213 -2.77000 -1.40000 -6.85000 -11.16000 -2.47000 12.56000 -13.54000 7.68000 9.71000 3.94000 0.00000 0.00000 0.00000 0.64000 1.23000 0.00000 -0.47000 0.00000 -1.40000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_21.PDB 7.81282 -4.98000 -1.56000 -3.76000 -9.02000 -1.73000 8.49000 -11.73000 6.54000 7.29000 2.39000 0.00000 0.00000 0.00000 0.25000 0.85000 0.00000 -0.69000 0.00000 -1.46000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_22.PDB 8.95875 -3.63000 -2.18000 -4.48000 -10.06000 -2.16000 10.30000 -12.73000 9.02000 8.09000 2.51000 0.00000 0.00000 0.00000 0.33000 0.98000 0.00000 -0.89000 0.00000 -1.37000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_23.PDB 9.61972 -4.17000 -2.18000 -4.27000 -9.66000 -1.53000 10.13000 -12.22000 5.99000 7.61000 3.24000 0.00000 0.00000 0.00000 0.48000 1.16000 0.00000 -0.65000 0.00000 -1.12000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_24.PDB 9.77681 -4.11000 -0.53000 -4.36000 -9.81000 -2.33000 9.70000 -12.54000 6.51000 7.12000 2.96000 0.00000 0.00000 0.00000 0.84000 1.27000 0.00000 -0.45000 0.00000 -1.21000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_25.PDB 10.20727 -4.94000 -2.58000 -4.71000 -10.22000 -2.17000 10.98000 -12.73000 6.70000 7.51000 3.80000 0.00000 0.00000 0.00000 0.62000 1.20000 0.00000 -0.74000 0.00000 -1.41000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_26.PDB 10.72562 -6.89000 -2.61000 -4.72000 -9.99000 -1.99000 10.88000 -12.69000 5.73000 7.25000 2.87000 0.00000 0.00000 0.00000 0.67000 1.10000 0.00000 -0.90000 0.00000 -1.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_27.PDB 10.47408 -4.85000 -0.60000 -6.04000 -10.60000 -2.00000 10.97000 -13.55000 7.06000 8.00000 2.63000 0.00000 0.00000 0.00000 0.75000 1.24000 0.00000 -0.45000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_28.PDB 10.63889 -4.94000 -0.58000 -4.77000 -10.45000 -1.88000 10.85000 -13.35000 6.29000 6.88000 3.11000 0.00000 0.00000 0.00000 0.80000 1.12000 0.00000 -0.66000 0.00000 -1.19000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_29.PDB 8.17877 -3.97000 -0.89000 -5.35000 -9.86000 -2.03000 10.69000 -12.03000 6.51000 8.09000 3.06000 0.00000 0.00000 0.00000 0.33000 0.84000 0.00000 -0.98000 0.00000 -1.50000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-2_30.PDB 10.27546 -5.36000 -2.61000 -3.98000 -9.59000 -1.44000 9.67000 -12.38000 5.71000 6.81000 3.34000 0.00000 0.00000 0.00000 0.55000 1.16000 0.00000 -0.34000 0.00000 -1.09000 0.00000 2.38000 66.00000