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-QCF-15_1.PDB 4.62592 -10.34000 -2.53000 -4.36000 -9.01000 -2.15000 10.49000 -10.37000 0.67000 6.24000 3.66000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -1.69000 0.00000 -1.35000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_2.PDB 4.68672 -9.81000 -0.95000 -3.67000 -8.17000 -2.71000 9.59000 -9.44000 0.64000 5.75000 1.96000 0.00000 0.00000 0.00000 0.08000 0.79000 0.00000 -1.20000 0.00000 -1.70000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_3.PDB 4.38359 -8.05000 -0.95000 -1.09000 -7.86000 -1.50000 7.56000 -9.89000 0.63000 3.73000 3.41000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -1.01000 0.00000 -1.14000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_4.PDB 5.14886 -8.57000 -2.54000 -3.70000 -8.05000 -2.17000 10.12000 -8.75000 0.48000 5.91000 3.16000 0.00000 0.00000 0.00000 0.13000 0.64000 0.00000 -1.76000 0.00000 -1.39000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_5.PDB 4.00488 -7.61000 -0.94000 -1.08000 -7.78000 -1.40000 7.86000 -9.75000 0.78000 3.85000 2.83000 0.00000 0.00000 0.00000 0.08000 0.43000 0.00000 -0.94000 0.00000 -1.12000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_6.PDB 5.38008 -9.33000 -0.95000 -4.52000 -7.62000 -1.70000 8.44000 -9.34000 0.58000 5.32000 2.63000 0.00000 0.00000 0.00000 0.14000 0.43000 0.00000 -1.17000 0.00000 -1.16000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_7.PDB 5.49211 -9.69000 -0.95000 -3.74000 -7.71000 -2.59000 8.98000 -9.09000 0.53000 5.18000 2.07000 0.00000 0.00000 0.00000 0.07000 0.65000 0.00000 -0.93000 0.00000 -1.52000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_8.PDB 4.70884 -8.24000 -1.76000 -1.88000 -7.96000 -1.69000 8.28000 -9.64000 0.85000 5.08000 2.83000 0.00000 0.00000 0.00000 0.10000 0.41000 0.00000 -1.17000 0.00000 -1.28000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_9.PDB 5.60510 -8.75000 -0.95000 -3.56000 -7.41000 -2.19000 8.22000 -8.89000 0.68000 4.96000 1.95000 0.00000 0.00000 0.00000 0.37000 0.61000 0.00000 -0.69000 0.00000 -1.25000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_10.PDB 4.13527 -9.29000 -0.95000 -4.21000 -8.01000 -1.49000 8.50000 -9.81000 0.45000 5.45000 2.81000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -1.10000 0.00000 -0.98000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_11.PDB 4.89617 -10.01000 -3.35000 -4.33000 -10.05000 -3.07000 12.59000 -10.83000 0.91000 8.36000 3.59000 0.00000 0.00000 0.00000 0.09000 0.71000 0.00000 -1.85000 0.00000 -2.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_12.PDB 4.79849 -10.55000 -0.95000 -4.38000 -7.99000 -1.10000 7.74000 -10.59000 0.67000 5.47000 2.64000 0.00000 0.00000 0.00000 0.04000 0.41000 0.00000 -1.33000 0.00000 -0.77000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_13.PDB 4.20745 -7.41000 -0.96000 -2.64000 -7.88000 -1.57000 7.89000 -10.15000 1.53000 5.52000 3.10000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -1.17000 0.00000 -1.11000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_14.PDB 4.19767 -9.75000 -0.95000 -4.16000 -7.77000 -2.38000 8.82000 -9.32000 0.65000 5.51000 2.28000 0.00000 0.00000 0.00000 0.08000 0.71000 0.00000 -1.06000 0.00000 -1.45000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_15.PDB 4.59005 -7.87000 -0.94000 -2.80000 -8.32000 -2.43000 10.16000 -9.51000 0.59000 5.86000 2.27000 0.00000 0.00000 0.00000 0.14000 0.79000 0.00000 -1.30000 0.00000 -1.59000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_16.PDB 4.63821 -9.11000 -2.69000 -4.50000 -9.07000 -1.98000 10.72000 -10.28000 1.79000 5.83000 3.84000 0.00000 0.00000 0.00000 0.09000 0.63000 0.00000 -1.69000 0.00000 -1.16000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_17.PDB 4.50285 -10.17000 -2.61000 -5.06000 -8.48000 -2.51000 9.87000 -9.73000 1.78000 6.41000 3.26000 0.00000 0.00000 0.00000 0.10000 0.59000 0.00000 -1.74000 0.00000 -1.45000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_18.PDB 4.91434 -11.96000 -2.58000 -6.83000 -8.04000 -2.77000 10.10000 -8.89000 0.75000 6.80000 2.85000 0.00000 0.00000 0.00000 0.02000 0.64000 0.00000 -1.71000 0.00000 -1.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_19.PDB 4.12263 -9.77000 -3.38000 -5.02000 -8.77000 -1.68000 10.09000 -9.87000 0.58000 7.51000 3.74000 0.00000 0.00000 0.00000 0.12000 0.50000 0.00000 -1.77000 0.00000 -1.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_20.PDB 5.35114 -9.53000 -0.93000 -2.79000 -8.50000 -1.62000 8.48000 -10.93000 0.90000 5.21000 2.90000 0.00000 0.00000 0.00000 0.09000 0.58000 0.00000 -1.18000 0.00000 -1.14000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_21.PDB 4.83395 -7.70000 -0.95000 -2.74000 -8.26000 -1.56000 9.19000 -9.91000 0.50000 5.03000 2.95000 0.00000 0.00000 0.00000 0.17000 0.43000 0.00000 -1.08000 0.00000 -1.04000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_22.PDB 4.30288 -8.96000 -0.95000 -2.60000 -8.00000 -1.54000 8.02000 -10.05000 0.43000 5.11000 2.66000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -1.03000 0.00000 -1.09000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_23.PDB 4.35366 -8.68000 -0.95000 -2.52000 -7.62000 -1.72000 7.99000 -9.44000 0.45000 5.11000 2.78000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -1.39000 0.00000 -1.37000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_24.PDB 5.17308 -7.54000 -2.61000 -3.56000 -8.31000 -2.76000 10.26000 -8.74000 0.71000 6.81000 2.95000 0.00000 0.00000 0.00000 0.25000 0.70000 0.00000 -0.97000 0.00000 -1.57000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_25.PDB 4.80024 -8.02000 -0.95000 -2.79000 -7.10000 -1.57000 8.29000 -8.45000 0.35000 4.04000 2.23000 0.00000 0.00000 0.00000 0.14000 0.51000 0.00000 -1.14000 0.00000 -1.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_26.PDB 4.28280 -10.83000 -2.57000 -6.72000 -8.41000 -2.39000 10.50000 -9.23000 0.59000 7.64000 3.07000 0.00000 0.00000 0.00000 0.07000 0.71000 0.00000 -1.80000 0.00000 -1.59000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_27.PDB 5.06118 -6.92000 -0.95000 -2.58000 -7.48000 -1.89000 9.08000 -8.67000 0.45000 4.86000 2.31000 0.00000 0.00000 0.00000 0.14000 0.59000 0.00000 -0.82000 0.00000 -1.36000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_28.PDB 4.98662 -8.67000 -1.81000 -1.90000 -8.15000 -1.65000 8.57000 -9.80000 0.46000 5.14000 3.05000 0.00000 0.00000 0.00000 0.07000 0.42000 0.00000 -1.31000 0.00000 -1.35000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_29.PDB 4.30436 -6.57000 -1.77000 -1.80000 -8.62000 -1.46000 9.43000 -9.99000 0.58000 5.64000 3.33000 0.00000 0.00000 0.00000 0.12000 0.56000 0.00000 -0.77000 0.00000 -1.26000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-15_30.PDB 4.62071 -8.19000 -0.95000 -2.76000 -7.11000 -0.89000 7.17000 -9.10000 0.37000 4.46000 2.23000 0.00000 0.00000 0.00000 0.12000 0.53000 0.00000 -1.00000 0.00000 -0.72000 0.00000 2.38000 65.00000