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-14_1.PDB 7.76048 -8.28000 -1.80000 -3.42000 -8.57000 -0.66000 7.76000 -11.85000 2.59000 5.45000 2.64000 0.00000 0.00000 0.00000 0.16000 1.32000 0.00000 -0.27000 0.00000 -0.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_2.PDB 7.68011 -7.08000 -1.89000 -2.21000 -8.97000 -1.09000 8.80000 -12.49000 2.78000 5.85000 3.04000 0.00000 0.00000 0.00000 0.16000 1.20000 0.00000 -0.37000 0.00000 -0.69000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_3.PDB 8.51110 -8.35000 -1.60000 -1.47000 -8.88000 -1.09000 8.19000 -12.43000 2.06000 5.24000 2.60000 0.00000 0.00000 0.00000 0.15000 1.56000 0.00000 -0.33000 0.00000 -0.80000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_4.PDB 7.24131 -8.09000 -1.81000 -3.43000 -8.57000 -0.70000 8.00000 -11.81000 2.70000 5.28000 2.73000 0.00000 0.00000 0.00000 0.16000 1.38000 0.00000 -0.24000 0.00000 -0.38000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_5.PDB 8.38710 -7.19000 -1.08000 -0.95000 -8.36000 -0.77000 7.30000 -11.81000 2.79000 4.03000 2.37000 0.00000 0.00000 0.00000 0.15000 1.38000 0.00000 -0.39000 0.00000 -0.48000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_6.PDB 7.53100 -8.27000 -1.84000 -2.59000 -8.73000 -1.03000 8.04000 -12.23000 2.69000 5.59000 2.57000 0.00000 0.00000 0.00000 0.14000 1.29000 0.00000 -0.28000 0.00000 -0.59000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_7.PDB 6.92744 -7.78000 -1.87000 -1.73000 -8.51000 -0.93000 7.49000 -11.94000 2.64000 5.03000 2.80000 0.00000 0.00000 0.00000 0.12000 1.33000 0.00000 -0.23000 0.00000 -0.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_8.PDB 7.41121 -8.91000 -1.75000 -3.36000 -8.88000 -0.64000 8.38000 -12.08000 2.01000 5.01000 2.89000 0.00000 0.00000 0.00000 0.15000 1.34000 0.00000 -0.32000 0.00000 -0.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_9.PDB 8.50386 -7.44000 -1.89000 -1.99000 -9.47000 -1.31000 10.02000 -13.01000 2.19000 5.83000 3.30000 0.00000 0.00000 0.00000 0.21000 1.23000 0.00000 -0.58000 0.00000 -0.75000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_10.PDB 8.55511 -7.15000 -1.91000 -2.62000 -9.15000 -1.08000 9.42000 -12.40000 2.75000 5.88000 2.81000 0.00000 0.00000 0.00000 0.15000 1.40000 0.00000 -0.32000 0.00000 -0.68000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_11.PDB 7.49575 -6.87000 -1.77000 -2.50000 -8.93000 -1.08000 8.39000 -12.48000 3.41000 5.96000 2.85000 0.00000 0.00000 0.00000 0.18000 1.38000 0.00000 -0.23000 0.00000 -0.69000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_12.PDB 7.71311 -7.10000 -1.08000 -1.49000 -8.55000 -1.02000 8.21000 -12.01000 2.75000 4.58000 2.34000 0.00000 0.00000 0.00000 0.18000 1.40000 0.00000 -0.36000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_13.PDB 6.75939 -8.11000 -1.77000 -2.51000 -8.60000 -0.98000 7.67000 -12.05000 2.61000 5.70000 2.79000 0.00000 0.00000 0.00000 0.15000 1.31000 0.00000 -0.45000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_14.PDB 7.61824 -8.22000 -1.81000 -3.44000 -8.52000 -0.64000 7.85000 -11.78000 2.98000 4.70000 2.76000 0.00000 0.00000 0.00000 0.16000 1.32000 0.00000 -0.22000 0.00000 -0.25000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_15.PDB 7.48217 -8.33000 -1.06000 -2.66000 -8.41000 -0.60000 7.39000 -11.89000 2.11000 4.58000 2.73000 0.00000 0.00000 0.00000 0.14000 1.32000 0.00000 -0.39000 0.00000 -0.27000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_16.PDB 7.20022 -8.00000 -1.85000 -2.41000 -8.99000 -1.13000 8.61000 -12.53000 1.87000 5.83000 3.41000 0.00000 0.00000 0.00000 0.15000 1.35000 0.00000 -0.33000 0.00000 -0.63000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_17.PDB 7.70133 -7.53000 -1.44000 -2.30000 -8.45000 -1.04000 7.89000 -11.91000 2.85000 5.11000 2.74000 0.00000 0.00000 0.00000 0.12000 1.21000 0.00000 -0.43000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_18.PDB 7.31185 -8.79000 -1.84000 -3.45000 -8.28000 -0.57000 7.13000 -11.67000 2.49000 5.30000 2.62000 0.00000 0.00000 0.00000 0.12000 1.24000 0.00000 -0.41000 0.00000 -0.23000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_19.PDB 7.50363 -7.55000 -1.05000 -0.92000 -8.43000 -0.89000 7.67000 -12.07000 1.92000 4.45000 2.47000 0.00000 0.00000 0.00000 0.15000 1.35000 0.00000 -0.23000 0.00000 -0.61000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_20.PDB 7.54933 -7.61000 -1.89000 -1.76000 -8.71000 -0.64000 7.88000 -11.94000 2.78000 4.70000 2.63000 0.00000 0.00000 0.00000 0.15000 1.42000 0.00000 -0.48000 0.00000 -0.33000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_21.PDB 7.66721 -7.99000 -1.88000 -2.42000 -9.13000 -1.19000 8.93000 -12.61000 2.13000 5.72000 3.38000 0.00000 0.00000 0.00000 0.15000 1.28000 0.00000 -0.34000 0.00000 -0.74000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_22.PDB 7.22808 -8.49000 -1.77000 -3.43000 -8.83000 -0.69000 7.95000 -12.14000 3.13000 5.42000 2.49000 0.00000 0.00000 0.00000 0.17000 1.40000 0.00000 -0.44000 0.00000 -0.36000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_23.PDB 7.09845 -7.58000 -1.80000 -2.54000 -8.97000 -1.07000 8.54000 -12.48000 2.88000 5.72000 2.98000 0.00000 0.00000 0.00000 0.15000 1.35000 0.00000 -0.36000 0.00000 -0.61000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_24.PDB 7.37892 -7.79000 -1.06000 -1.69000 -8.50000 -1.12000 7.73000 -12.10000 1.88000 4.87000 3.07000 0.00000 0.00000 0.00000 0.16000 1.32000 0.00000 -0.35000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_25.PDB 7.80325 -8.53000 -1.87000 -2.64000 -8.97000 -1.17000 8.79000 -12.31000 2.02000 5.81000 2.73000 0.00000 0.00000 0.00000 0.14000 1.21000 0.00000 -0.29000 0.00000 -0.78000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_26.PDB 7.62060 -8.41000 -1.73000 -3.34000 -8.62000 -0.66000 7.80000 -11.91000 2.68000 5.24000 2.59000 0.00000 0.00000 0.00000 0.15000 1.21000 0.00000 -0.29000 0.00000 -0.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_27.PDB 7.40806 -8.34000 -1.88000 -3.50000 -8.55000 -0.59000 7.92000 -11.77000 1.86000 5.38000 3.21000 0.00000 0.00000 0.00000 0.15000 1.35000 0.00000 -0.33000 0.00000 -0.22000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_28.PDB 7.27167 -8.57000 -1.85000 -3.47000 -8.72000 -0.68000 7.91000 -12.07000 2.07000 5.43000 3.26000 0.00000 0.00000 0.00000 0.16000 1.35000 0.00000 -0.31000 0.00000 -0.30000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_29.PDB 7.69911 -7.26000 -1.90000 -2.45000 -9.01000 -1.16000 9.01000 -12.52000 2.70000 6.05000 2.96000 0.00000 0.00000 0.00000 0.18000 1.31000 0.00000 -0.32000 0.00000 -0.81000 0.00000 2.38000 65.00000 BEM1-D1_JO8-LCK-14_30.PDB 7.67718 -8.03000 -1.84000 -3.88000 -9.26000 -0.98000 9.19000 -12.56000 2.81000 6.27000 3.00000 0.00000 0.00000 0.00000 0.19000 1.56000 0.00000 -0.46000 0.00000 -0.52000 0.00000 2.38000 65.00000