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-25_1.PDB 4.99988 -5.12000 -0.62000 -1.46000 -7.18000 -0.76000 6.46000 -9.73000 2.39000 4.65000 2.19000 0.00000 0.00000 0.00000 0.05000 0.78000 0.00000 -0.43000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_2.PDB 6.03183 -7.26000 -2.32000 -2.93000 -8.40000 -2.02000 9.38000 -10.48000 2.60000 5.80000 2.69000 0.00000 0.00000 0.00000 0.06000 0.93000 0.00000 -0.55000 0.00000 -1.08000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_3.PDB 5.30848 -5.10000 -0.66000 -1.49000 -7.16000 -0.73000 6.40000 -9.73000 2.46000 4.63000 2.18000 0.00000 0.00000 0.00000 0.06000 0.77000 0.00000 -0.43000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_4.PDB 8.46376 -7.95000 -2.61000 -3.17000 -9.36000 -0.86000 9.36000 -11.90000 2.97000 6.66000 1.96000 0.00000 0.00000 0.00000 0.35000 0.96000 0.00000 -0.68000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_5.PDB 7.48060 -7.72000 -2.65000 -3.14000 -9.26000 -0.61000 9.57000 -11.83000 3.10000 6.42000 1.78000 0.00000 0.00000 0.00000 0.15000 0.88000 0.00000 -0.70000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_6.PDB 8.55959 -8.09000 -2.54000 -2.98000 -9.05000 -0.62000 8.62000 -11.68000 2.80000 6.22000 2.04000 0.00000 0.00000 0.00000 0.35000 0.91000 0.00000 -0.71000 0.00000 -0.53000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_7.PDB 7.51041 -5.19000 -2.32000 -3.19000 -6.88000 -0.83000 7.85000 -8.70000 2.07000 5.72000 2.25000 0.00000 0.00000 0.00000 0.02000 0.69000 0.00000 -0.41000 0.00000 -0.76000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_8.PDB 6.77922 -5.67000 -2.35000 -3.23000 -7.03000 -0.88000 8.02000 -8.72000 2.42000 5.50000 2.00000 0.00000 0.00000 0.00000 0.03000 0.70000 0.00000 -0.61000 0.00000 -0.83000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_9.PDB 10.57240 -7.91000 -3.29000 -3.78000 -8.86000 -1.32000 9.26000 -10.94000 2.89000 7.33000 2.11000 0.00000 0.00000 0.00000 0.15000 0.90000 0.00000 -0.48000 0.00000 -0.98000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_10.PDB 6.96322 -5.34000 -2.33000 -3.18000 -7.07000 -0.83000 7.93000 -8.88000 2.34000 5.62000 2.29000 0.00000 0.00000 0.00000 0.02000 0.72000 0.00000 -0.51000 0.00000 -0.75000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_11.PDB 5.69508 -6.15000 -2.36000 -2.87000 -8.26000 -0.74000 8.59000 -10.45000 2.57000 6.04000 2.45000 0.00000 0.00000 0.00000 0.11000 1.02000 0.00000 -0.55000 0.00000 -0.69000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_12.PDB 4.98458 -5.24000 -0.70000 -1.52000 -7.48000 -0.77000 6.64000 -10.11000 2.76000 4.74000 2.21000 0.00000 0.00000 0.00000 0.08000 0.83000 0.00000 -0.43000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_13.PDB 4.91465 -5.55000 -0.62000 -3.12000 -6.86000 -0.44000 6.30000 -9.26000 1.48000 5.33000 2.79000 0.00000 0.00000 0.00000 0.03000 0.71000 0.00000 -0.86000 0.00000 -0.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_14.PDB 11.31276 -8.59000 -4.33000 -5.24000 -9.03000 -1.22000 11.15000 -10.79000 2.77000 7.87000 1.86000 0.00000 0.00000 0.00000 0.32000 0.79000 0.00000 -0.91000 0.00000 -1.04000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_15.PDB 10.65166 -5.87000 -3.42000 -3.96000 -9.16000 -0.92000 9.56000 -11.20000 4.88000 7.31000 2.11000 0.00000 0.00000 0.00000 0.38000 0.89000 0.00000 -0.61000 0.00000 -0.83000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_16.PDB 4.85888 -6.01000 -0.62000 -1.48000 -7.08000 -0.86000 6.24000 -9.68000 2.33000 4.40000 1.87000 0.00000 0.00000 0.00000 0.04000 0.71000 0.00000 -0.47000 0.00000 -0.69000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_17.PDB 8.33795 -8.58000 -2.61000 -3.11000 -9.44000 -1.17000 9.16000 -12.12000 3.03000 6.74000 2.01000 0.00000 0.00000 0.00000 0.36000 0.98000 0.00000 -0.66000 0.00000 -0.78000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_18.PDB 4.51694 -5.83000 -0.65000 -0.62000 -7.14000 -0.65000 6.10000 -9.80000 2.36000 3.98000 1.68000 0.00000 0.00000 0.00000 0.06000 0.73000 0.00000 -0.53000 0.00000 -0.62000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_19.PDB 4.74365 -5.20000 -0.63000 -1.46000 -7.30000 -0.59000 6.32000 -9.96000 2.58000 4.57000 2.15000 0.00000 0.00000 0.00000 0.04000 0.76000 0.00000 -0.41000 0.00000 -0.51000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_20.PDB 4.52679 -5.61000 -0.60000 -1.46000 -7.27000 -0.74000 6.41000 -9.92000 2.37000 4.73000 1.95000 0.00000 0.00000 0.00000 0.04000 0.76000 0.00000 -0.48000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_21.PDB 7.49889 -5.89000 -0.62000 -1.32000 -7.94000 -0.71000 6.62000 -10.97000 2.76000 5.04000 2.19000 0.00000 0.00000 0.00000 0.07000 0.78000 0.00000 -0.35000 0.00000 -0.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_22.PDB 4.99425 -4.78000 -0.67000 -2.35000 -7.14000 -0.41000 6.47000 -9.64000 2.57000 5.00000 2.21000 0.00000 0.00000 0.00000 0.05000 0.74000 0.00000 -0.52000 0.00000 -0.35000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_23.PDB 4.84694 -4.40000 -0.59000 -3.06000 -6.95000 -0.38000 6.46000 -9.33000 2.35000 5.43000 2.41000 0.00000 0.00000 0.00000 0.02000 0.73000 0.00000 -0.48000 0.00000 -0.28000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_24.PDB 8.29808 -5.18000 -1.57000 -1.43000 -8.67000 -0.26000 8.35000 -11.25000 3.59000 4.08000 2.16000 0.00000 0.00000 0.00000 0.09000 1.12000 0.00000 -0.20000 0.00000 -0.08000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_25.PDB 4.47122 -5.48000 -0.58000 -1.41000 -7.19000 -0.89000 6.53000 -9.73000 1.93000 4.73000 2.36000 0.00000 0.00000 0.00000 0.03000 0.75000 0.00000 -0.52000 0.00000 -0.73000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_26.PDB 7.59256 -8.63000 -2.44000 -2.95000 -9.23000 -1.57000 9.37000 -11.83000 3.42000 6.64000 1.50000 0.00000 0.00000 0.00000 0.17000 0.89000 0.00000 -0.64000 0.00000 -1.06000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_27.PDB 9.02172 -7.34000 -2.21000 -2.84000 -8.98000 -1.50000 9.70000 -11.45000 2.41000 6.83000 2.01000 0.00000 0.00000 0.00000 0.06000 0.80000 0.00000 -0.35000 0.00000 -1.02000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_28.PDB 8.70721 -7.03000 -2.71000 -3.13000 -9.25000 -0.53000 8.89000 -11.87000 4.01000 6.39000 1.95000 0.00000 0.00000 0.00000 0.14000 0.91000 0.00000 -0.50000 0.00000 -0.41000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_29.PDB 8.22925 -5.90000 -1.53000 -2.24000 -8.67000 -0.52000 8.71000 -11.21000 3.43000 5.00000 2.13000 0.00000 0.00000 0.00000 0.08000 1.00000 0.00000 -0.68000 0.00000 -0.39000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-25_30.PDB 7.62988 -7.93000 -2.44000 -2.88000 -9.26000 -1.08000 9.28000 -11.90000 2.92000 6.62000 1.82000 0.00000 0.00000 0.00000 0.12000 0.97000 0.00000 -0.40000 0.00000 -0.73000 0.00000 2.38000 65.00000