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-29_1.PDB 5.68631 -6.52000 -1.45000 -2.78000 -8.32000 -0.85000 8.90000 -10.19000 1.55000 4.54000 2.65000 0.00000 0.00000 0.00000 0.09000 0.85000 0.00000 -0.20000 0.00000 -0.47000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_2.PDB 7.50342 -7.27000 -1.40000 -2.56000 -8.38000 -1.45000 8.84000 -10.10000 1.15000 4.98000 2.50000 0.00000 0.00000 0.00000 0.06000 0.90000 0.00000 -0.22000 0.00000 -0.69000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_3.PDB 5.93833 -7.99000 -0.54000 -3.15000 -8.11000 -1.09000 7.89000 -10.40000 1.34000 4.65000 1.93000 0.00000 0.00000 0.00000 0.07000 0.62000 0.00000 -0.22000 0.00000 -0.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_4.PDB 6.22288 -7.78000 -1.40000 -2.83000 -8.67000 -1.13000 8.95000 -10.62000 1.30000 4.89000 2.56000 0.00000 0.00000 0.00000 0.06000 0.87000 0.00000 -0.41000 0.00000 -0.48000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_5.PDB 6.38127 -7.79000 -0.53000 -2.82000 -8.44000 -1.77000 9.05000 -10.55000 1.34000 4.71000 2.10000 0.00000 0.00000 0.00000 0.14000 0.55000 0.00000 -0.63000 0.00000 -0.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_6.PDB 6.38341 -7.03000 -0.49000 -1.11000 -7.85000 -1.68000 8.37000 -9.98000 1.21000 3.34000 1.91000 0.00000 0.00000 0.00000 0.15000 0.58000 0.00000 -0.49000 0.00000 -0.40000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_7.PDB 6.75127 -7.46000 -1.40000 -2.41000 -8.22000 -1.14000 8.44000 -10.23000 1.36000 4.54000 2.56000 0.00000 0.00000 0.00000 0.07000 0.85000 0.00000 -0.48000 0.00000 -0.55000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_8.PDB 6.63014 -8.52000 -0.51000 -4.10000 -8.79000 -1.76000 9.91000 -10.75000 1.27000 5.00000 2.03000 0.00000 0.00000 0.00000 0.26000 0.66000 0.00000 -0.69000 0.00000 -0.39000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_9.PDB 6.47543 -7.41000 -0.48000 -1.26000 -8.27000 -1.78000 8.74000 -10.41000 1.54000 3.50000 2.00000 0.00000 0.00000 0.00000 0.09000 0.60000 0.00000 -0.66000 0.00000 -0.43000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_10.PDB 5.92346 -8.26000 -0.55000 -1.92000 -8.17000 -1.26000 7.56000 -10.63000 1.51000 4.06000 1.88000 0.00000 0.00000 0.00000 0.07000 0.73000 0.00000 -0.20000 0.00000 -0.61000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_11.PDB 6.44479 -6.86000 -1.53000 -2.04000 -8.75000 -1.75000 9.72000 -10.56000 2.13000 4.41000 2.58000 0.00000 0.00000 0.00000 0.12000 0.70000 0.00000 -0.77000 0.00000 -0.43000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_12.PDB 5.64972 -7.73000 -1.41000 -3.16000 -8.35000 -1.06000 8.70000 -10.25000 1.28000 4.71000 2.56000 0.00000 0.00000 0.00000 0.05000 0.90000 0.00000 -0.34000 0.00000 -0.46000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_13.PDB 6.39061 -7.92000 -0.44000 -3.66000 -8.30000 -0.94000 8.34000 -10.61000 1.37000 4.71000 2.07000 0.00000 0.00000 0.00000 0.07000 0.64000 0.00000 -0.16000 0.00000 -0.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_14.PDB 6.29861 -7.85000 -0.49000 -3.20000 -8.23000 -1.14000 8.10000 -10.43000 1.25000 4.96000 2.16000 0.00000 0.00000 0.00000 0.07000 0.73000 0.00000 -0.21000 0.00000 -0.70000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_15.PDB 6.76471 -7.54000 -0.51000 -2.50000 -8.36000 -1.84000 9.33000 -10.42000 1.27000 4.56000 1.99000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -0.70000 0.00000 -0.47000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_16.PDB 6.35888 -7.37000 -1.46000 -2.26000 -8.62000 -1.99000 9.67000 -10.50000 1.72000 4.48000 2.64000 0.00000 0.00000 0.00000 0.08000 0.89000 0.00000 -0.59000 0.00000 -0.55000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_17.PDB 6.77059 -8.45000 -1.47000 -3.07000 -8.61000 -1.13000 8.42000 -10.67000 1.54000 5.10000 2.47000 0.00000 0.00000 0.00000 0.07000 0.87000 0.00000 -0.61000 0.00000 -0.51000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_18.PDB 5.83296 -7.34000 -1.45000 -3.19000 -8.78000 -1.05000 9.19000 -10.80000 1.74000 5.03000 2.70000 0.00000 0.00000 0.00000 0.06000 0.89000 0.00000 -0.31000 0.00000 -0.48000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_19.PDB 6.72876 -6.65000 -1.51000 -2.04000 -8.73000 -1.78000 9.91000 -10.50000 1.85000 4.60000 2.82000 0.00000 0.00000 0.00000 0.09000 0.72000 0.00000 -0.82000 0.00000 -0.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_20.PDB 7.17622 -6.67000 -0.51000 -1.75000 -8.26000 -2.16000 8.88000 -10.17000 1.61000 4.77000 2.03000 0.00000 0.00000 0.00000 0.12000 0.76000 0.00000 -0.54000 0.00000 -0.69000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_21.PDB 6.29211 -7.83000 -0.52000 -2.74000 -8.43000 -1.92000 9.05000 -10.60000 1.40000 4.77000 2.10000 0.00000 0.00000 0.00000 0.12000 0.68000 0.00000 -0.55000 0.00000 -0.52000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_22.PDB 6.53796 -7.36000 -0.48000 -3.72000 -8.39000 -1.08000 8.67000 -10.42000 1.31000 5.23000 2.05000 0.00000 0.00000 0.00000 0.07000 0.70000 0.00000 -0.16000 0.00000 -0.43000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_23.PDB 5.87539 -6.92000 -0.45000 -2.09000 -8.00000 -1.11000 8.09000 -10.10000 1.44000 3.99000 2.06000 0.00000 0.00000 0.00000 0.08000 0.67000 0.00000 -0.30000 0.00000 -0.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_24.PDB 7.16081 -8.63000 -0.54000 -3.66000 -8.35000 -1.09000 7.92000 -10.72000 1.49000 5.10000 1.92000 0.00000 0.00000 0.00000 0.07000 0.67000 0.00000 -0.35000 0.00000 -0.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_25.PDB 6.50963 -7.81000 -1.40000 -3.13000 -8.55000 -1.15000 8.91000 -10.46000 1.23000 4.87000 2.71000 0.00000 0.00000 0.00000 0.06000 0.88000 0.00000 -0.41000 0.00000 -0.51000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_26.PDB 6.88915 -6.13000 -1.46000 -1.95000 -8.62000 -1.66000 9.95000 -10.07000 1.45000 4.57000 2.63000 0.00000 0.00000 0.00000 0.09000 0.72000 0.00000 -0.65000 0.00000 -0.41000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_27.PDB 7.38475 -8.56000 -0.57000 -4.16000 -8.71000 -1.88000 9.75000 -10.75000 1.50000 5.20000 2.24000 0.00000 0.00000 0.00000 0.14000 0.78000 0.00000 -0.84000 0.00000 -0.48000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_28.PDB 6.21556 -7.53000 -1.42000 -4.04000 -8.77000 -1.83000 8.92000 -10.37000 1.59000 6.67000 3.14000 0.00000 0.00000 0.00000 0.08000 1.20000 0.00000 -0.48000 0.00000 -1.04000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_29.PDB 6.29083 -7.75000 -0.49000 -3.54000 -8.46000 -1.79000 9.19000 -10.49000 1.41000 5.08000 2.18000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -0.59000 0.00000 -0.38000 0.00000 2.38000 66.00000 BEM1-D1_JO8-LCK-29_30.PDB 5.72809 -7.58000 -1.38000 -3.12000 -8.35000 -1.07000 8.62000 -10.14000 1.33000 4.70000 2.51000 0.00000 0.00000 0.00000 0.04000 0.83000 0.00000 -0.29000 0.00000 -0.43000 0.00000 2.38000 66.00000