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-11_1.PDB 7.41785 -6.68000 -0.71000 -4.73000 -6.33000 -0.93000 6.56000 -8.42000 0.97000 5.56000 3.02000 0.00000 0.00000 0.00000 0.06000 0.79000 0.00000 -0.90000 0.00000 -0.83000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_2.PDB 6.54970 -6.81000 -0.73000 -3.07000 -7.70000 -0.79000 7.14000 -10.25000 2.17000 4.99000 2.98000 0.00000 0.00000 0.00000 0.05000 0.75000 0.00000 -0.85000 0.00000 -0.76000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_3.PDB 6.86631 -5.64000 -1.24000 -3.47000 -7.43000 -1.35000 8.98000 -9.18000 1.13000 5.34000 3.19000 0.00000 0.00000 0.00000 0.10000 0.89000 0.00000 -0.59000 0.00000 -1.11000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_4.PDB 6.90032 -6.19000 -0.74000 -3.94000 -8.23000 -2.17000 9.31000 -10.16000 1.44000 6.46000 3.44000 0.00000 0.00000 0.00000 0.08000 0.89000 0.00000 -0.57000 0.00000 -1.09000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_5.PDB 6.77682 -6.14000 -1.33000 -3.67000 -8.02000 -1.37000 9.53000 -9.87000 1.39000 5.86000 2.91000 0.00000 0.00000 0.00000 0.11000 0.89000 0.00000 -0.55000 0.00000 -1.13000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_6.PDB 6.91188 -6.89000 -0.79000 -3.17000 -8.12000 -1.31000 8.39000 -10.56000 1.49000 5.78000 2.89000 0.00000 0.00000 0.00000 0.09000 0.93000 0.00000 -0.79000 0.00000 -0.78000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_7.PDB 5.49306 -6.02000 -0.75000 -3.94000 -7.83000 -2.15000 9.42000 -9.30000 0.96000 6.28000 3.31000 0.00000 0.00000 0.00000 0.14000 0.58000 0.00000 -0.62000 0.00000 -1.53000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_8.PDB 7.11428 -6.19000 -0.75000 -3.03000 -7.16000 -1.37000 7.92000 -9.01000 1.37000 5.26000 2.69000 0.00000 0.00000 0.00000 0.11000 0.63000 0.00000 -1.03000 0.00000 -1.19000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_9.PDB 6.38740 -7.87000 -0.76000 -3.18000 -7.47000 -1.04000 7.28000 -9.95000 1.09000 5.20000 2.92000 0.00000 0.00000 0.00000 0.02000 0.78000 0.00000 -1.04000 0.00000 -0.94000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_10.PDB 6.04727 -6.30000 -0.71000 -3.06000 -6.55000 -0.79000 6.39000 -8.77000 1.04000 4.56000 2.68000 0.00000 0.00000 0.00000 0.02000 0.82000 0.00000 -0.35000 0.00000 -0.75000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_11.PDB 6.34460 -7.00000 -0.73000 -3.05000 -7.55000 -0.73000 7.03000 -10.05000 1.42000 4.96000 3.18000 0.00000 0.00000 0.00000 0.02000 1.05000 0.00000 -0.70000 0.00000 -0.77000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_12.PDB 7.14737 -6.37000 -0.78000 -2.83000 -7.31000 -0.84000 7.10000 -10.01000 1.20000 5.17000 3.09000 0.00000 0.00000 0.00000 0.21000 1.15000 0.00000 -0.60000 0.00000 -0.75000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_13.PDB 7.30608 -6.56000 -0.76000 -3.07000 -8.34000 -1.50000 8.55000 -10.84000 1.60000 5.81000 3.59000 0.00000 0.00000 0.00000 0.10000 1.00000 0.00000 -0.82000 0.00000 -0.87000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_14.PDB 6.83946 -6.15000 -1.27000 -3.46000 -7.98000 -1.29000 9.30000 -9.91000 1.37000 5.67000 3.26000 0.00000 0.00000 0.00000 0.08000 0.98000 0.00000 -0.76000 0.00000 -1.17000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_15.PDB 6.34962 -6.48000 -0.78000 -3.09000 -7.73000 -0.84000 7.80000 -10.31000 1.18000 5.57000 3.00000 0.00000 0.00000 0.00000 0.10000 0.96000 0.00000 -0.63000 0.00000 -0.74000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_16.PDB 5.79252 -6.87000 -0.73000 -2.21000 -7.18000 -0.19000 6.08000 -9.77000 1.37000 3.82000 2.54000 0.00000 0.00000 0.00000 0.02000 0.96000 0.00000 -0.40000 0.00000 -0.23000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_17.PDB 6.84250 -5.94000 -0.74000 -2.94000 -7.47000 -1.48000 7.98000 -9.68000 1.42000 5.19000 3.09000 0.00000 0.00000 0.00000 0.12000 0.93000 0.00000 -0.63000 0.00000 -0.79000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_18.PDB 6.88351 -6.36000 -0.74000 -3.02000 -7.43000 -1.56000 8.17000 -9.33000 1.30000 5.55000 2.96000 0.00000 0.00000 0.00000 0.11000 0.79000 0.00000 -1.04000 0.00000 -1.34000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_19.PDB 6.48243 -5.24000 -1.24000 -1.99000 -7.41000 -1.31000 8.81000 -9.14000 1.11000 4.38000 2.91000 0.00000 0.00000 0.00000 0.10000 0.93000 0.00000 -0.35000 0.00000 -1.10000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_20.PDB 5.72656 -6.85000 -0.73000 -2.30000 -6.83000 -0.13000 6.01000 -9.30000 1.00000 3.84000 2.08000 0.00000 0.00000 0.00000 0.02000 0.81000 0.00000 -0.30000 0.00000 -0.20000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_21.PDB 6.71372 -6.07000 -1.28000 -3.59000 -8.03000 -1.43000 9.56000 -9.99000 1.29000 5.82000 3.27000 0.00000 0.00000 0.00000 0.10000 0.85000 0.00000 -0.63000 0.00000 -1.15000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_22.PDB 6.52244 -6.33000 -0.74000 -2.96000 -7.53000 -1.39000 7.94000 -9.78000 1.07000 5.18000 3.02000 0.00000 0.00000 0.00000 0.09000 0.82000 0.00000 -0.48000 0.00000 -0.75000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_23.PDB 7.08998 -5.62000 -0.73000 -1.78000 -7.80000 -1.36000 8.37000 -9.71000 1.65000 4.50000 3.26000 0.00000 0.00000 0.00000 0.10000 0.79000 0.00000 -0.91000 0.00000 -1.20000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_24.PDB 7.12537 -5.96000 -0.73000 -3.01000 -7.72000 -1.49000 8.28000 -9.69000 1.68000 5.42000 3.37000 0.00000 0.00000 0.00000 0.13000 0.77000 0.00000 -0.93000 0.00000 -1.28000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_25.PDB 6.57562 -5.71000 -0.87000 -2.14000 -7.83000 -0.94000 7.69000 -10.31000 1.28000 5.01000 3.12000 0.00000 0.00000 0.00000 0.11000 0.93000 0.00000 -0.55000 0.00000 -0.27000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_26.PDB 6.78867 -5.09000 -1.38000 -2.76000 -7.66000 -1.17000 8.98000 -9.49000 1.19000 5.11000 2.94000 0.00000 0.00000 0.00000 0.09000 0.89000 0.00000 -0.25000 0.00000 -0.72000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_27.PDB 7.04382 -6.62000 -0.73000 -2.19000 -7.41000 -0.41000 6.42000 -10.02000 1.72000 4.13000 2.93000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.75000 0.00000 -0.32000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_28.PDB 6.53399 -5.64000 -1.27000 -2.70000 -7.85000 -0.68000 8.82000 -9.82000 1.34000 5.01000 2.78000 0.00000 0.00000 0.00000 0.09000 0.90000 0.00000 -0.78000 0.00000 -0.58000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_29.PDB 6.75969 -6.08000 -0.78000 -2.30000 -8.01000 -0.54000 7.70000 -10.52000 1.50000 4.95000 2.71000 0.00000 0.00000 0.00000 0.11000 0.97000 0.00000 -0.66000 0.00000 -0.23000 0.00000 2.38000 63.00000 BEM1-D1_JO8-LCK-11_30.PDB 6.39864 -7.38000 -0.75000 -2.31000 -7.28000 -0.25000 6.46000 -9.82000 1.32000 4.09000 2.07000 0.00000 0.00000 0.00000 0.02000 0.52000 0.00000 -0.69000 0.00000 -0.24000 0.00000 2.38000 63.00000