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-13_1.PDB 8.19068 -8.39000 -2.51000 -4.10000 -7.64000 -0.88000 7.92000 -9.94000 1.89000 6.01000 2.23000 0.00000 0.00000 0.00000 0.10000 0.92000 0.00000 -0.68000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_2.PDB 7.34523 -8.17000 -3.06000 -3.04000 -7.03000 -0.82000 7.79000 -9.00000 1.77000 5.04000 1.34000 0.00000 0.00000 0.00000 0.04000 0.68000 0.00000 -0.59000 0.00000 -0.62000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_3.PDB 7.25582 -7.77000 -3.06000 -3.04000 -6.92000 -0.85000 7.77000 -8.84000 1.88000 5.04000 1.58000 0.00000 0.00000 0.00000 0.02000 0.67000 0.00000 -0.69000 0.00000 -0.66000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_4.PDB 8.63998 -6.50000 -0.63000 -2.28000 -6.94000 -1.11000 6.99000 -9.10000 2.02000 3.74000 1.84000 0.00000 0.00000 0.00000 0.11000 1.03000 0.00000 -0.48000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_5.PDB 7.95254 -7.69000 -3.14000 -4.53000 -8.27000 -0.80000 9.27000 -10.30000 2.01000 7.02000 2.39000 0.00000 0.00000 0.00000 0.09000 1.03000 0.00000 -0.83000 0.00000 -0.60000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_6.PDB 8.00883 -8.16000 -3.13000 -4.46000 -8.10000 -0.85000 8.89000 -10.18000 1.80000 6.79000 2.49000 0.00000 0.00000 0.00000 0.08000 1.04000 0.00000 -0.80000 0.00000 -0.70000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_7.PDB 7.81859 -9.16000 -3.04000 -3.02000 -7.82000 -1.19000 8.43000 -10.19000 1.99000 5.01000 2.20000 0.00000 0.00000 0.00000 0.03000 0.94000 0.00000 -0.88000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_8.PDB 7.41572 -8.12000 -3.05000 -2.95000 -6.22000 -0.91000 7.52000 -7.57000 0.39000 4.58000 1.51000 0.00000 0.00000 0.00000 0.04000 0.70000 0.00000 -0.69000 0.00000 -0.74000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_9.PDB 7.37951 -8.23000 -3.04000 -2.94000 -6.38000 -0.88000 7.65000 -7.75000 0.41000 4.64000 1.36000 0.00000 0.00000 0.00000 0.03000 0.71000 0.00000 -0.65000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_10.PDB 7.59508 -8.24000 -3.12000 -3.03000 -8.16000 -0.84000 8.78000 -10.61000 2.04000 5.70000 2.39000 0.00000 0.00000 0.00000 0.03000 0.93000 0.00000 -0.82000 0.00000 -0.60000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_11.PDB 7.63548 -8.74000 -3.09000 -3.02000 -8.12000 -0.90000 8.69000 -10.46000 1.72000 5.79000 2.27000 0.00000 0.00000 0.00000 0.04000 0.93000 0.00000 -0.96000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_12.PDB 8.37160 -10.54000 -3.04000 -3.01000 -8.27000 -1.30000 8.32000 -10.79000 1.76000 5.03000 2.25000 0.00000 0.00000 0.00000 0.08000 0.87000 0.00000 -0.90000 0.00000 -0.66000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_13.PDB 7.76184 -8.73000 -3.11000 -3.01000 -8.00000 -1.09000 8.69000 -10.35000 1.93000 5.21000 2.26000 0.00000 0.00000 0.00000 0.04000 0.91000 0.00000 -0.73000 0.00000 -0.57000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_14.PDB 7.93703 -8.86000 -3.13000 -2.96000 -7.21000 -1.11000 8.29000 -8.94000 0.53000 4.69000 2.48000 0.00000 0.00000 0.00000 0.03000 0.92000 0.00000 -0.99000 0.00000 -0.55000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_15.PDB 8.12355 -7.34000 -3.05000 -4.27000 -8.09000 -1.06000 9.12000 -9.98000 1.99000 6.80000 2.65000 0.00000 0.00000 0.00000 0.12000 1.06000 0.00000 -0.61000 0.00000 -0.96000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_16.PDB 8.27497 -10.90000 -3.08000 -3.00000 -8.56000 -0.96000 8.15000 -11.19000 1.38000 5.65000 2.05000 0.00000 0.00000 0.00000 0.07000 0.97000 0.00000 -0.81000 0.00000 -0.59000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_17.PDB 7.72546 -7.11000 -3.05000 -4.16000 -6.22000 -0.96000 8.05000 -7.19000 0.44000 5.59000 1.76000 0.00000 0.00000 0.00000 0.08000 0.78000 0.00000 -0.60000 0.00000 -0.85000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_18.PDB 8.01008 -9.11000 -3.09000 -3.01000 -7.82000 -1.08000 8.34000 -10.12000 1.78000 5.18000 2.18000 0.00000 0.00000 0.00000 0.03000 0.92000 0.00000 -0.89000 0.00000 -0.60000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_19.PDB 8.67220 -7.43000 -2.39000 -3.97000 -7.33000 -0.96000 8.15000 -9.08000 1.45000 5.38000 2.40000 0.00000 0.00000 0.00000 0.17000 0.99000 0.00000 -0.71000 0.00000 -0.55000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_20.PDB 7.79959 -7.42000 -1.36000 -2.89000 -6.59000 -1.20000 7.51000 -8.45000 1.25000 4.51000 1.22000 0.00000 0.00000 0.00000 0.03000 0.64000 0.00000 -0.67000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_21.PDB 5.47551 -5.53000 -0.63000 -2.18000 -5.39000 -0.75000 6.10000 -6.60000 0.40000 3.31000 1.06000 0.00000 0.00000 0.00000 0.13000 0.77000 0.00000 -0.29000 0.00000 -0.68000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_22.PDB 7.57378 -9.92000 -3.04000 -3.02000 -7.59000 -1.01000 7.85000 -9.71000 1.04000 5.08000 1.59000 0.00000 0.00000 0.00000 0.05000 0.73000 0.00000 -0.55000 0.00000 -0.61000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_23.PDB 8.07333 -5.59000 -0.57000 -2.21000 -6.09000 -0.81000 6.59000 -7.79000 1.32000 3.75000 1.21000 0.00000 0.00000 0.00000 0.13000 0.73000 0.00000 -0.38000 0.00000 -0.74000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_24.PDB 8.64493 -9.27000 -3.02000 -4.55000 -7.73000 -1.04000 8.42000 -9.53000 1.26000 6.31000 1.87000 0.00000 0.00000 0.00000 0.09000 0.84000 0.00000 -0.54000 0.00000 -0.81000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_25.PDB 5.36522 -5.51000 -0.61000 -2.93000 -5.02000 -0.53000 5.48000 -6.20000 0.69000 3.27000 1.18000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -0.37000 0.00000 -0.57000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_26.PDB 8.18716 -7.74000 -3.09000 -4.68000 -8.05000 -0.93000 9.00000 -10.14000 1.99000 6.95000 2.61000 0.00000 0.00000 0.00000 0.08000 1.01000 0.00000 -0.71000 0.00000 -0.77000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_27.PDB 7.17677 -7.65000 -3.06000 -3.04000 -6.79000 -0.88000 7.73000 -8.59000 1.80000 4.94000 1.66000 0.00000 0.00000 0.00000 0.02000 0.68000 0.00000 -0.67000 0.00000 -0.76000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_28.PDB 7.99525 -6.11000 -2.38000 -4.07000 -6.61000 -0.82000 7.77000 -8.01000 2.13000 5.48000 1.63000 0.00000 0.00000 0.00000 0.11000 0.75000 0.00000 -0.57000 0.00000 -0.76000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_29.PDB 8.08875 -8.04000 -2.49000 -4.08000 -5.90000 -0.86000 7.09000 -7.11000 0.36000 4.78000 1.49000 0.00000 0.00000 0.00000 0.10000 0.66000 0.00000 -0.64000 0.00000 -0.77000 0.00000 2.38000 64.00000 BEM1-D1_JO8-LCK-13_30.PDB 5.05879 -4.52000 -0.65000 -2.21000 -5.44000 -0.79000 6.42000 -6.49000 0.50000 3.50000 1.38000 0.00000 0.00000 0.00000 0.18000 0.78000 0.00000 -0.38000 0.00000 -0.54000 0.00000 2.38000 64.00000