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-19_1.PDB 6.02583 -5.64000 -0.32000 -4.07000 -8.61000 -0.98000 9.30000 -11.25000 3.79000 4.39000 3.68000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -0.96000 0.00000 -0.71000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_2.PDB 7.31651 -5.18000 -0.30000 -3.89000 -8.10000 -0.89000 8.70000 -10.76000 3.28000 4.56000 3.69000 0.00000 0.00000 0.00000 0.06000 0.43000 0.00000 -0.87000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_3.PDB 7.70401 -6.48000 -0.38000 -4.37000 -8.54000 -0.98000 9.04000 -11.32000 2.82000 4.92000 3.81000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.80000 0.00000 -0.73000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_4.PDB 8.26829 -6.06000 -0.38000 -3.98000 -8.12000 -0.92000 8.43000 -10.84000 2.69000 4.57000 3.70000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.63000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_5.PDB 7.95091 -6.15000 -0.37000 -4.13000 -8.70000 -0.79000 9.10000 -11.46000 2.78000 4.89000 3.78000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.71000 0.00000 -0.63000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_6.PDB 7.24881 -5.69000 -0.30000 -3.84000 -8.73000 -0.82000 9.13000 -11.60000 3.27000 5.08000 3.75000 0.00000 0.00000 0.00000 0.08000 0.50000 0.00000 -1.06000 0.00000 -0.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_7.PDB 7.58396 -6.01000 -0.31000 -3.82000 -8.11000 -0.98000 8.70000 -10.68000 2.54000 4.80000 3.69000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -1.12000 0.00000 -0.76000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_8.PDB 7.68541 -5.07000 -0.34000 -3.89000 -8.24000 -1.02000 8.81000 -10.84000 3.60000 4.82000 3.73000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -0.97000 0.00000 -0.81000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_9.PDB 7.87191 -6.11000 -0.36000 -3.94000 -8.54000 -0.86000 9.04000 -11.29000 2.87000 4.96000 3.81000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -1.25000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_10.PDB 7.02880 -5.61000 -0.35000 -5.55000 -8.11000 -0.89000 8.71000 -10.79000 3.10000 5.65000 3.88000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -0.65000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_11.PDB 7.97225 -5.96000 -0.38000 -3.96000 -8.13000 -0.79000 8.48000 -10.73000 2.73000 4.54000 3.64000 0.00000 0.00000 0.00000 0.06000 0.55000 0.00000 -0.84000 0.00000 -0.57000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_12.PDB 7.45415 -6.08000 -0.31000 -3.86000 -7.81000 -0.91000 8.26000 -10.39000 2.53000 4.40000 3.72000 0.00000 0.00000 0.00000 0.05000 0.41000 0.00000 -1.05000 0.00000 -0.71000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_13.PDB 5.81711 -5.86000 -0.33000 -3.95000 -8.40000 -0.67000 8.65000 -11.31000 2.64000 5.12000 3.75000 0.00000 0.00000 0.00000 0.08000 0.32000 0.00000 -0.81000 0.00000 -0.62000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_14.PDB 7.12891 -6.24000 -0.29000 -3.67000 -8.05000 -0.79000 8.58000 -10.60000 2.15000 4.47000 3.56000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -1.00000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_15.PDB 7.11408 -4.77000 -0.30000 -2.21000 -8.56000 -1.23000 8.89000 -11.27000 3.18000 4.84000 3.60000 0.00000 0.00000 0.00000 0.06000 0.41000 0.00000 -0.76000 0.00000 -1.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_16.PDB 6.86620 -6.95000 -0.31000 -5.89000 -8.57000 -1.06000 9.96000 -11.09000 2.06000 5.91000 3.75000 0.00000 0.00000 0.00000 0.09000 0.45000 0.00000 -0.93000 0.00000 -0.87000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_17.PDB 7.89389 -4.78000 -0.27000 -2.07000 -8.31000 -1.22000 8.49000 -11.14000 3.16000 4.56000 3.66000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.64000 0.00000 -1.05000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_18.PDB 7.71455 -5.68000 -0.29000 -4.01000 -8.32000 -0.84000 8.83000 -10.97000 2.61000 4.89000 3.74000 0.00000 0.00000 0.00000 0.07000 0.34000 0.00000 -0.72000 0.00000 -0.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_19.PDB 7.10938 -6.38000 -0.33000 -3.94000 -7.98000 -0.70000 8.19000 -10.81000 2.02000 4.82000 3.56000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.65000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_20.PDB 7.62073 -4.85000 -0.33000 -2.66000 -8.52000 -1.26000 9.22000 -11.33000 3.37000 4.53000 3.70000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -0.57000 0.00000 -1.06000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_21.PDB 7.56981 -6.67000 -0.34000 -4.10000 -8.63000 -0.71000 8.83000 -11.38000 2.59000 4.94000 3.69000 0.00000 0.00000 0.00000 0.08000 0.54000 0.00000 -1.04000 0.00000 -0.60000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_22.PDB 6.80284 -5.55000 -0.34000 -4.52000 -8.93000 -1.29000 9.70000 -11.50000 3.83000 5.17000 3.84000 0.00000 0.00000 0.00000 0.07000 0.64000 0.00000 -0.55000 0.00000 -1.04000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_23.PDB 8.52342 -6.36000 -0.23000 -5.38000 -8.39000 -0.85000 8.86000 -11.15000 2.38000 5.89000 3.78000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.66000 0.00000 -0.68000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_24.PDB 7.26894 -6.40000 -0.30000 -6.19000 -8.87000 -1.24000 10.16000 -11.65000 3.34000 6.30000 4.02000 0.00000 0.00000 0.00000 0.07000 0.42000 0.00000 -1.16000 0.00000 -0.88000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_25.PDB 6.42030 -5.27000 -0.32000 -4.38000 -9.20000 -1.37000 10.08000 -12.10000 3.88000 5.87000 3.85000 0.00000 0.00000 0.00000 0.11000 0.45000 0.00000 -0.81000 0.00000 -0.88000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_26.PDB 7.27551 -4.81000 -0.27000 -2.84000 -7.99000 -0.96000 8.17000 -10.90000 3.22000 3.96000 4.13000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -0.71000 0.00000 -0.68000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_27.PDB 6.86649 -5.98000 -0.30000 -6.07000 -8.54000 -1.29000 10.50000 -11.17000 3.33000 5.42000 3.84000 0.00000 0.00000 0.00000 0.07000 0.46000 0.00000 -0.89000 0.00000 -0.88000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_28.PDB 6.79518 -5.40000 -0.29000 -3.70000 -9.46000 -2.01000 10.44000 -12.29000 5.03000 5.07000 3.78000 0.00000 0.00000 0.00000 0.09000 0.63000 0.00000 -0.97000 0.00000 -1.08000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_29.PDB 7.19584 -4.82000 -0.26000 -3.77000 -7.85000 -0.96000 8.71000 -10.30000 3.17000 4.65000 3.73000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -1.23000 0.00000 -0.77000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-19_30.PDB 7.23852 -6.10000 -0.30000 -5.90000 -8.72000 -1.32000 10.05000 -11.39000 3.29000 6.18000 4.00000 0.00000 0.00000 0.00000 0.07000 0.43000 0.00000 -1.11000 0.00000 -0.95000 0.00000 2.38000 65.00000