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-28_1.PDB 7.78065 -10.29000 -1.60000 -3.01000 -10.16000 -1.61000 11.44000 -12.59000 1.35000 5.19000 2.84000 0.00000 0.00000 0.00000 0.09000 1.51000 0.00000 -1.15000 0.00000 -1.09000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_2.PDB 7.95112 -10.94000 -2.50000 -3.06000 -11.03000 -2.67000 12.62000 -13.64000 2.32000 7.52000 2.72000 0.00000 0.00000 0.00000 0.10000 1.42000 0.00000 -1.38000 0.00000 -1.92000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_3.PDB 9.03024 -8.96000 -2.36000 -3.79000 -10.39000 -2.06000 12.75000 -12.32000 1.55000 6.62000 2.96000 0.00000 0.00000 0.00000 0.17000 1.59000 0.00000 -0.67000 0.00000 -1.46000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_4.PDB 8.74263 -9.73000 -1.62000 -3.02000 -10.91000 -1.61000 12.60000 -13.45000 1.36000 6.05000 2.67000 0.00000 0.00000 0.00000 0.09000 1.67000 0.00000 -0.97000 0.00000 -0.93000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_5.PDB 8.24210 -10.76000 -1.55000 -3.99000 -11.19000 -2.13000 13.01000 -13.97000 1.69000 6.77000 2.97000 0.00000 0.00000 0.00000 0.10000 1.61000 0.00000 -1.10000 0.00000 -1.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_6.PDB 8.21517 -9.96000 -2.36000 -3.83000 -10.27000 -2.16000 12.33000 -12.27000 1.33000 6.77000 2.99000 0.00000 0.00000 0.00000 0.13000 1.61000 0.00000 -0.90000 0.00000 -1.71000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_7.PDB 7.81422 -9.97000 -2.34000 -3.00000 -10.91000 -2.09000 12.58000 -13.23000 1.76000 6.55000 2.74000 0.00000 0.00000 0.00000 0.06000 1.61000 0.00000 -0.71000 0.00000 -1.36000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_8.PDB 8.19569 -8.76000 -2.28000 -3.83000 -10.67000 -1.83000 12.30000 -13.07000 2.60000 7.17000 2.95000 0.00000 0.00000 0.00000 0.13000 1.70000 0.00000 -0.84000 0.00000 -1.39000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_9.PDB 8.10712 -11.65000 -1.65000 -3.92000 -10.73000 -2.71000 12.26000 -12.66000 1.86000 5.58000 2.49000 0.00000 0.00000 0.00000 0.29000 1.90000 0.00000 -0.68000 0.00000 -1.77000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_10.PDB 7.90829 -10.07000 -1.53000 -3.04000 -10.33000 -1.76000 11.61000 -12.93000 1.27000 5.73000 3.14000 0.00000 0.00000 0.00000 0.10000 1.64000 0.00000 -0.97000 0.00000 -1.37000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_11.PDB 7.75087 -11.87000 -1.70000 -5.49000 -11.09000 -2.18000 12.65000 -13.09000 2.08000 6.54000 2.39000 0.00000 0.00000 0.00000 0.15000 1.85000 0.00000 -0.81000 0.00000 -1.32000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_12.PDB 8.14686 -10.98000 -2.41000 -4.66000 -10.98000 -2.47000 12.87000 -12.82000 2.10000 7.28000 2.56000 0.00000 0.00000 0.00000 0.15000 1.75000 0.00000 -0.84000 0.00000 -1.74000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_13.PDB 7.54785 -12.30000 -2.37000 -6.16000 -10.83000 -3.10000 12.83000 -12.58000 2.12000 8.08000 2.48000 0.00000 0.00000 0.00000 0.20000 1.77000 0.00000 -0.83000 0.00000 -2.14000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_14.PDB 8.16235 -12.73000 -1.56000 -6.33000 -11.13000 -2.48000 12.50000 -13.34000 1.77000 7.61000 2.48000 0.00000 0.00000 0.00000 0.14000 1.81000 0.00000 -0.73000 0.00000 -1.65000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_15.PDB 7.18194 -12.70000 -2.26000 -6.27000 -10.73000 -2.33000 11.99000 -12.77000 1.91000 7.69000 2.24000 0.00000 0.00000 0.00000 0.15000 1.62000 0.00000 -0.78000 0.00000 -1.54000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_16.PDB 8.31822 -9.58000 -1.70000 -1.40000 -10.09000 -1.06000 10.60000 -13.22000 1.42000 5.13000 2.12000 0.00000 0.00000 0.00000 0.09000 1.57000 0.00000 -0.65000 0.00000 -0.81000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_17.PDB 7.93194 -11.03000 -2.14000 -2.91000 -11.01000 -2.69000 12.46000 -13.71000 1.43000 7.20000 3.07000 0.00000 0.00000 0.00000 0.12000 1.56000 0.00000 -1.08000 0.00000 -1.77000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_18.PDB 9.27240 -11.78000 -1.60000 -3.36000 -9.35000 -1.21000 9.63000 -12.36000 1.42000 4.92000 1.91000 0.00000 0.00000 0.00000 0.13000 1.45000 0.00000 -0.84000 0.00000 -1.08000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_19.PDB 9.74462 -9.97000 -2.79000 -4.99000 -10.74000 -1.52000 12.43000 -13.31000 2.82000 7.67000 2.49000 0.00000 0.00000 0.00000 0.15000 1.46000 0.00000 -0.88000 0.00000 -1.29000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_20.PDB 8.58784 -10.67000 -1.56000 -2.97000 -9.65000 -1.11000 10.52000 -12.49000 1.39000 4.77000 1.82000 0.00000 0.00000 0.00000 0.14000 1.41000 0.00000 -0.77000 0.00000 -0.76000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_21.PDB 8.99155 -12.92000 -2.36000 -4.39000 -9.76000 -2.00000 10.70000 -12.45000 1.44000 6.41000 2.09000 0.00000 0.00000 0.00000 0.10000 1.50000 0.00000 -1.09000 0.00000 -1.63000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_22.PDB 8.85433 -11.58000 -1.59000 -3.76000 -9.78000 -1.13000 10.29000 -12.68000 1.35000 5.74000 2.00000 0.00000 0.00000 0.00000 0.09000 1.31000 0.00000 -1.11000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_23.PDB 7.74021 -10.52000 -1.64000 -5.24000 -11.71000 -2.70000 12.79000 -14.09000 4.49000 6.77000 2.56000 0.00000 0.00000 0.00000 0.22000 1.80000 0.00000 -0.52000 0.00000 -1.45000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_24.PDB 7.86336 -10.22000 -2.72000 -3.30000 -9.78000 -1.51000 10.71000 -12.42000 2.86000 6.25000 1.80000 0.00000 0.00000 0.00000 0.06000 1.45000 0.00000 -0.94000 0.00000 -1.22000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_25.PDB 7.69234 -10.02000 -1.66000 -5.37000 -11.06000 -2.36000 13.51000 -12.91000 2.73000 5.97000 2.77000 0.00000 0.00000 0.00000 0.17000 1.73000 0.00000 -0.66000 0.00000 -1.16000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_26.PDB 8.30641 -10.28000 -1.57000 -3.21000 -10.34000 -1.63000 11.43000 -13.06000 1.33000 5.67000 3.01000 0.00000 0.00000 0.00000 0.18000 1.56000 0.00000 -0.89000 0.00000 -1.20000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_27.PDB 9.63539 -12.19000 -2.35000 -5.70000 -10.33000 -2.48000 12.00000 -12.05000 2.19000 6.40000 2.49000 0.00000 0.00000 0.00000 0.15000 1.66000 0.00000 -0.94000 0.00000 -1.55000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_28.PDB 7.64608 -10.48000 -1.65000 -3.08000 -10.76000 -2.15000 11.99000 -12.84000 2.39000 5.40000 2.54000 0.00000 0.00000 0.00000 0.17000 1.78000 0.00000 -1.09000 0.00000 -1.40000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_29.PDB 8.39796 -9.60000 -1.61000 -5.51000 -10.49000 -1.75000 12.56000 -12.93000 1.30000 7.73000 2.91000 0.00000 0.00000 0.00000 0.23000 1.44000 0.00000 -0.93000 0.00000 -1.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-28_30.PDB 8.68782 -11.75000 -2.38000 -4.71000 -9.51000 -1.25000 10.17000 -12.14000 1.92000 6.35000 1.88000 0.00000 0.00000 0.00000 0.10000 1.47000 0.00000 -1.03000 0.00000 -1.13000 0.00000 2.38000 66.00000