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-27_1.PDB 6.29578 -8.67000 -1.69000 -3.25000 -8.56000 -1.09000 9.32000 -11.14000 1.36000 4.41000 2.83000 0.00000 0.00000 0.00000 0.15000 1.28000 0.00000 -0.46000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_2.PDB 6.98187 -8.77000 -1.72000 -3.38000 -8.61000 -0.94000 9.03000 -11.25000 1.65000 4.32000 2.81000 0.00000 0.00000 0.00000 0.15000 1.19000 0.00000 -0.39000 0.00000 -0.43000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_3.PDB 7.49272 -9.77000 -1.47000 -3.11000 -8.39000 -1.00000 8.84000 -11.01000 0.49000 4.23000 2.23000 0.00000 0.00000 0.00000 0.18000 1.30000 0.00000 -0.21000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_4.PDB 7.65132 -9.70000 -1.51000 -3.14000 -8.36000 -0.89000 8.74000 -10.92000 0.36000 4.08000 2.26000 0.00000 0.00000 0.00000 0.30000 1.32000 0.00000 -0.18000 0.00000 -0.45000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_5.PDB 9.48589 -8.23000 -1.30000 -2.82000 -8.39000 -1.02000 9.58000 -10.73000 0.62000 4.09000 2.64000 0.00000 0.00000 0.00000 0.15000 1.13000 0.00000 -0.48000 0.00000 -0.56000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_6.PDB 9.24185 -8.88000 -1.59000 -3.26000 -8.56000 -1.01000 9.04000 -11.21000 1.37000 4.29000 2.68000 0.00000 0.00000 0.00000 0.17000 1.27000 0.00000 -0.33000 0.00000 -0.47000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_7.PDB 9.90215 -7.70000 -1.42000 -3.08000 -8.25000 -0.99000 9.26000 -10.63000 1.41000 3.94000 2.52000 0.00000 0.00000 0.00000 0.43000 1.04000 0.00000 -0.28000 0.00000 -0.61000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_8.PDB 6.81105 -9.07000 -1.89000 -3.48000 -8.53000 -1.01000 8.76000 -11.16000 1.78000 4.19000 2.70000 0.00000 0.00000 0.00000 0.34000 1.27000 0.00000 -0.30000 0.00000 -0.50000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_9.PDB 6.90749 -8.96000 -1.72000 -3.33000 -8.40000 -1.03000 9.07000 -10.96000 1.48000 4.25000 2.40000 0.00000 0.00000 0.00000 0.17000 1.21000 0.00000 -0.38000 0.00000 -0.51000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_10.PDB 6.80363 -8.28000 -1.30000 -1.19000 -8.38000 -1.15000 8.84000 -10.90000 0.81000 3.64000 2.28000 0.00000 0.00000 0.00000 0.11000 1.24000 0.00000 -0.39000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_11.PDB 7.66026 -7.90000 -1.36000 -2.53000 -8.40000 -1.04000 9.48000 -10.91000 1.46000 3.55000 2.50000 0.00000 0.00000 0.00000 0.31000 1.27000 0.00000 -0.37000 0.00000 -0.60000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_12.PDB 7.35308 -9.00000 -2.01000 -1.92000 -8.65000 -1.04000 8.87000 -11.28000 1.33000 3.82000 2.37000 0.00000 0.00000 0.00000 0.36000 1.20000 0.00000 -0.47000 0.00000 -0.38000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_13.PDB 7.58132 -7.72000 -1.42000 -2.99000 -8.68000 -0.84000 9.45000 -11.19000 1.46000 4.26000 2.90000 0.00000 0.00000 0.00000 0.15000 1.18000 0.00000 -0.43000 0.00000 -0.41000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_14.PDB 6.74154 -7.01000 -0.57000 -3.09000 -8.28000 -0.69000 7.98000 -11.31000 1.46000 5.61000 2.76000 0.00000 0.00000 0.00000 0.11000 1.09000 0.00000 -0.33000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_15.PDB 8.43729 -3.33000 -0.60000 -0.38000 -8.67000 -1.14000 9.29000 -11.19000 3.55000 3.61000 2.65000 0.00000 0.00000 0.00000 0.62000 1.34000 0.00000 -0.46000 0.00000 -0.60000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_16.PDB 6.83919 -4.48000 -0.76000 -2.90000 -8.92000 -0.81000 9.34000 -12.07000 4.02000 5.56000 2.88000 0.00000 0.00000 0.00000 0.16000 1.41000 0.00000 -0.44000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_17.PDB 7.36186 -8.06000 -1.28000 -1.17000 -8.56000 -1.28000 9.18000 -11.19000 0.90000 3.83000 2.56000 0.00000 0.00000 0.00000 0.13000 1.21000 0.00000 -0.37000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_18.PDB 8.08630 -7.61000 -1.48000 -1.29000 -8.53000 -1.11000 9.00000 -11.02000 1.45000 3.67000 2.47000 0.00000 0.00000 0.00000 0.14000 1.29000 0.00000 -0.23000 0.00000 -0.68000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_19.PDB 8.52426 -7.96000 -1.47000 -3.02000 -8.45000 -0.88000 8.83000 -11.01000 1.65000 4.10000 2.22000 0.00000 0.00000 0.00000 0.90000 1.30000 0.00000 -0.40000 0.00000 -0.42000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_20.PDB 7.16078 -9.13000 -1.53000 -3.17000 -8.37000 -0.86000 8.81000 -10.92000 1.19000 4.23000 2.27000 0.00000 0.00000 0.00000 0.16000 1.30000 0.00000 -0.49000 0.00000 -0.43000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_21.PDB 6.82592 -7.81000 -0.58000 -2.35000 -8.31000 -0.91000 8.09000 -11.36000 1.52000 4.74000 2.20000 0.00000 0.00000 0.00000 0.15000 1.17000 0.00000 -0.35000 0.00000 -0.64000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_22.PDB 8.59731 -7.93000 -1.54000 -2.97000 -8.33000 -0.86000 9.04000 -10.73000 1.51000 3.95000 2.52000 0.00000 0.00000 0.00000 0.43000 1.17000 0.00000 -0.50000 0.00000 -0.45000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_23.PDB 6.55810 -6.28000 -0.85000 -1.58000 -8.32000 -0.78000 7.45000 -11.35000 2.63000 5.23000 2.40000 0.00000 0.00000 0.00000 0.12000 1.14000 0.00000 -0.51000 0.00000 -0.72000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_24.PDB 10.52358 -6.64000 -0.81000 -3.25000 -8.29000 -0.81000 7.83000 -11.34000 2.58000 5.57000 2.48000 0.00000 0.00000 0.00000 0.49000 0.96000 0.00000 -0.30000 0.00000 -0.79000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_25.PDB 8.49981 -8.44000 -1.51000 -1.98000 -8.75000 -1.35000 9.41000 -11.22000 0.57000 4.51000 3.08000 0.00000 0.00000 0.00000 0.15000 1.22000 0.00000 -0.52000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_26.PDB 7.40611 -7.62000 -1.37000 -1.19000 -8.67000 -1.08000 9.51000 -11.21000 0.92000 3.75000 2.69000 0.00000 0.00000 0.00000 0.15000 1.19000 0.00000 -0.41000 0.00000 -0.70000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_27.PDB 7.28525 -7.92000 -1.38000 -1.25000 -8.31000 -0.94000 8.60000 -10.76000 0.95000 3.71000 2.01000 0.00000 0.00000 0.00000 0.26000 1.20000 0.00000 -0.33000 0.00000 -0.49000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_28.PDB 8.64380 -7.57000 -1.35000 -2.91000 -8.49000 -0.91000 9.12000 -10.99000 1.67000 4.05000 2.59000 0.00000 0.00000 0.00000 0.44000 1.29000 0.00000 -0.33000 0.00000 -0.45000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_29.PDB 8.63391 -6.54000 -1.52000 -1.27000 -8.46000 -1.04000 9.10000 -10.87000 2.02000 3.38000 2.32000 0.00000 0.00000 0.00000 0.84000 1.36000 0.00000 -0.46000 0.00000 -0.57000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-27_30.PDB 8.07818 -8.36000 -1.40000 -2.90000 -8.48000 -0.95000 8.83000 -11.03000 0.83000 4.16000 2.73000 0.00000 0.00000 0.00000 0.67000 1.27000 0.00000 -0.44000 0.00000 -0.38000 0.00000 2.38000 65.00000