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-8_1.PDB 8.59231 -5.15000 -0.78000 -1.96000 -8.19000 -0.71000 8.69000 -10.41000 1.20000 4.11000 2.87000 0.00000 0.00000 0.00000 0.36000 0.41000 0.00000 -0.26000 0.00000 -0.07000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_2.PDB 8.13526 -5.44000 -0.85000 -2.08000 -8.01000 -0.41000 8.13000 -10.27000 0.83000 4.56000 2.79000 0.00000 0.00000 0.00000 0.39000 0.68000 0.00000 -0.33000 0.00000 -0.18000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_3.PDB 7.37140 -4.43000 -0.87000 -0.89000 -8.02000 -0.78000 8.71000 -9.96000 0.28000 3.95000 3.50000 0.00000 0.00000 0.00000 0.42000 0.47000 0.00000 -0.62000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_4.PDB 7.80475 -4.77000 -0.80000 -1.96000 -7.68000 -0.38000 7.62000 -9.95000 1.26000 4.32000 2.92000 0.00000 0.00000 0.00000 0.32000 0.69000 0.00000 -0.28000 0.00000 -0.17000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_5.PDB 7.57368 -5.08000 -0.79000 -0.69000 -7.80000 -0.07000 7.42000 -10.16000 1.18000 3.41000 2.41000 0.00000 0.00000 0.00000 0.26000 0.47000 0.00000 -0.14000 0.00000 -0.10000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_6.PDB 8.02205 -5.19000 -1.71000 -2.89000 -8.41000 -0.38000 9.23000 -10.59000 0.87000 5.56000 3.30000 0.00000 0.00000 0.00000 0.48000 0.59000 0.00000 -0.47000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_7.PDB 8.89151 -5.54000 -1.74000 -4.65000 -8.60000 -0.48000 9.60000 -10.47000 0.63000 6.36000 3.41000 0.00000 0.00000 0.00000 0.77000 0.65000 0.00000 -0.21000 0.00000 -0.15000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_8.PDB 7.87760 -5.18000 -0.82000 -0.77000 -7.57000 -0.14000 7.37000 -9.84000 0.94000 3.26000 2.37000 0.00000 0.00000 0.00000 0.38000 0.47000 0.00000 -0.21000 0.00000 -0.15000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_9.PDB 8.55441 -5.63000 -0.80000 -0.77000 -7.46000 -0.17000 7.24000 -9.71000 0.26000 3.31000 2.35000 0.00000 0.00000 0.00000 0.48000 0.42000 0.00000 -0.15000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_10.PDB 8.46263 -6.31000 -0.86000 -2.02000 -7.12000 -0.17000 6.52000 -9.44000 0.93000 3.66000 2.44000 0.00000 0.00000 0.00000 0.32000 0.48000 0.00000 -0.38000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_11.PDB 8.23619 -4.64000 -0.80000 -0.77000 -8.13000 -0.45000 8.42000 -10.32000 0.32000 4.24000 2.78000 0.00000 0.00000 0.00000 0.28000 0.61000 0.00000 -0.09000 0.00000 -0.12000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_12.PDB 8.74118 -6.27000 -0.74000 -2.91000 -7.81000 -0.16000 7.11000 -10.20000 0.57000 4.93000 2.65000 0.00000 0.00000 0.00000 0.65000 0.54000 0.00000 -0.17000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_13.PDB 8.23619 -5.33000 -0.83000 -2.03000 -7.39000 -0.12000 7.36000 -9.30000 0.67000 3.72000 2.45000 0.00000 0.00000 0.00000 0.49000 0.45000 0.00000 -0.20000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_14.PDB 7.63218 -4.92000 -0.81000 -1.91000 -8.09000 -0.49000 8.31000 -10.31000 1.15000 4.51000 2.78000 0.00000 0.00000 0.00000 0.36000 0.63000 0.00000 -0.21000 0.00000 -0.21000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_15.PDB 7.25825 -5.84000 -0.82000 -1.99000 -7.85000 -0.47000 7.83000 -10.17000 0.68000 4.44000 2.75000 0.00000 0.00000 0.00000 0.30000 0.63000 0.00000 -0.36000 0.00000 -0.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_16.PDB 8.00911 -6.94000 -0.86000 -0.79000 -8.42000 -0.47000 7.47000 -11.33000 0.63000 4.29000 2.62000 0.00000 0.00000 0.00000 0.24000 0.79000 0.00000 -0.16000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_17.PDB 7.93924 -4.48000 -1.06000 -0.99000 -7.49000 -0.63000 7.76000 -9.54000 0.58000 3.97000 3.45000 0.00000 0.00000 0.00000 0.32000 0.37000 0.00000 -0.68000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_18.PDB 7.33139 -5.85000 -0.83000 -0.76000 -8.32000 -0.50000 7.46000 -11.12000 1.46000 4.16000 2.61000 0.00000 0.00000 0.00000 0.40000 0.76000 0.00000 -0.23000 0.00000 -0.18000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_19.PDB 8.00148 -5.22000 -1.76000 -3.30000 -8.49000 -0.42000 9.52000 -10.37000 0.63000 5.77000 3.09000 0.00000 0.00000 0.00000 0.39000 0.73000 0.00000 -0.13000 0.00000 -0.14000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_20.PDB 7.62054 -6.35000 -0.85000 -2.01000 -7.06000 -0.15000 6.57000 -9.38000 0.80000 3.71000 2.39000 0.00000 0.00000 0.00000 0.23000 0.49000 0.00000 -0.41000 0.00000 -0.17000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_21.PDB 8.20930 -4.47000 -0.81000 -0.72000 -8.20000 -0.60000 8.26000 -10.56000 0.96000 4.30000 2.80000 0.00000 0.00000 0.00000 0.41000 0.39000 0.00000 -0.14000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_22.PDB 7.41619 -6.59000 -1.46000 -1.40000 -8.46000 -0.46000 8.19000 -11.22000 0.69000 4.87000 2.76000 0.00000 0.00000 0.00000 0.39000 0.87000 0.00000 -0.29000 0.00000 -0.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_23.PDB 7.73631 -6.67000 -0.85000 -0.75000 -7.97000 -0.41000 6.70000 -10.84000 0.54000 4.01000 3.11000 0.00000 0.00000 0.00000 0.27000 0.81000 0.00000 -0.31000 0.00000 -0.17000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_24.PDB 7.97475 -5.90000 -0.82000 -2.03000 -7.66000 -0.17000 7.38000 -9.94000 0.93000 4.01000 2.44000 0.00000 0.00000 0.00000 0.40000 0.48000 0.00000 -0.26000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_25.PDB 7.63598 -4.69000 -0.83000 -0.73000 -7.45000 -0.48000 7.15000 -9.74000 0.79000 3.86000 2.83000 0.00000 0.00000 0.00000 0.26000 0.62000 0.00000 -0.16000 0.00000 -0.18000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_26.PDB 7.83656 -4.51000 -0.82000 -0.74000 -8.01000 -0.44000 8.39000 -10.20000 0.64000 4.18000 2.60000 0.00000 0.00000 0.00000 0.22000 0.66000 0.00000 -0.16000 0.00000 -0.17000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_27.PDB 8.12538 -6.90000 -1.77000 -1.65000 -8.98000 -0.48000 8.21000 -11.61000 0.60000 5.17000 3.18000 0.00000 0.00000 0.00000 0.69000 0.81000 0.00000 -0.13000 0.00000 -0.14000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_28.PDB 7.89806 -6.26000 -0.83000 -2.02000 -7.76000 -0.15000 7.43000 -10.10000 0.73000 3.90000 2.45000 0.00000 0.00000 0.00000 0.37000 0.47000 0.00000 -0.10000 0.00000 -0.17000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_29.PDB 7.62950 -7.29000 -0.87000 -0.76000 -7.89000 -0.14000 6.65000 -10.76000 0.73000 3.48000 2.25000 0.00000 0.00000 0.00000 0.29000 0.59000 0.00000 -0.09000 0.00000 -0.17000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-8_30.PDB 8.00725 -6.60000 -0.83000 -1.97000 -7.59000 -0.18000 7.03000 -10.00000 0.67000 3.89000 2.57000 0.00000 0.00000 0.00000 0.23000 0.48000 0.00000 -0.20000 0.00000 -0.20000 0.00000 2.38000 64.00000