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-18_1.PDB 6.31673 -6.77000 -0.04000 -2.88000 -8.74000 -0.15000 7.52000 -12.28000 1.88000 5.54000 3.33000 0.00000 0.00000 0.00000 0.21000 0.72000 0.00000 -1.03000 0.00000 -0.13000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_2.PDB 5.90004 -7.04000 -0.04000 -1.81000 -8.46000 0.02000 6.69000 -12.02000 1.62000 4.78000 3.05000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -0.92000 0.00000 -0.03000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_3.PDB 5.90615 -7.25000 -0.04000 -1.19000 -8.39000 -0.08000 6.91000 -11.96000 1.73000 4.05000 2.72000 0.00000 0.00000 0.00000 0.15000 0.80000 0.00000 -1.08000 0.00000 -0.08000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_4.PDB 4.94458 -6.74000 -0.04000 -1.91000 -8.38000 0.07000 6.64000 -11.88000 1.79000 4.72000 3.07000 0.00000 0.00000 0.00000 0.10000 0.67000 0.00000 -0.93000 0.00000 0.02000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_5.PDB 4.71077 -8.37000 -0.00000 -1.91000 -9.37000 -0.05000 7.58000 -13.18000 1.64000 5.32000 2.57000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -0.91000 0.00000 -0.13000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_6.PDB 5.86189 -6.09000 -0.04000 -0.06000 -8.16000 0.09000 6.20000 -11.72000 1.67000 3.75000 2.78000 0.00000 0.00000 0.00000 0.07000 0.63000 0.00000 -0.65000 0.00000 -0.03000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_7.PDB 6.09586 -7.17000 -0.04000 -1.77000 -9.13000 -0.00000 7.56000 -12.72000 1.76000 5.05000 3.08000 0.00000 0.00000 0.00000 0.13000 0.79000 0.00000 -1.02000 0.00000 -0.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_8.PDB 6.22787 -6.01000 -0.04000 -0.11000 -8.70000 0.14000 6.73000 -12.43000 2.38000 3.76000 2.85000 0.00000 0.00000 0.00000 0.10000 0.79000 0.00000 -0.75000 0.00000 0.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_9.PDB 5.85761 -6.85000 -0.00000 -1.79000 -8.01000 0.12000 6.31000 -11.34000 1.39000 4.42000 2.61000 0.00000 0.00000 0.00000 0.18000 0.66000 0.00000 -0.79000 0.00000 0.05000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_10.PDB 4.06632 -6.20000 -0.04000 -0.13000 -9.25000 0.12000 6.99000 -13.42000 2.58000 4.60000 2.86000 0.00000 0.00000 0.00000 0.14000 0.66000 0.00000 -0.57000 0.00000 -0.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_11.PDB 5.10580 -5.97000 -0.00000 -1.19000 -8.22000 -0.04000 6.89000 -11.57000 2.25000 4.02000 2.51000 0.00000 0.00000 0.00000 0.08000 0.72000 0.00000 -0.61000 0.00000 -0.08000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_12.PDB 5.86874 -6.09000 -0.04000 -0.17000 -8.77000 0.05000 6.85000 -12.38000 2.12000 4.07000 2.66000 0.00000 0.00000 0.00000 0.10000 0.88000 0.00000 -0.65000 0.00000 0.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_13.PDB 5.79384 -5.45000 -0.04000 -1.14000 -8.72000 0.11000 7.52000 -12.11000 1.79000 4.37000 3.18000 0.00000 0.00000 0.00000 0.09000 0.71000 0.00000 -0.57000 0.00000 0.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_14.PDB 5.59256 -6.91000 -0.04000 -3.72000 -8.42000 -0.26000 7.02000 -12.10000 2.55000 6.03000 3.18000 0.00000 0.00000 0.00000 0.03000 0.74000 0.00000 -0.85000 0.00000 -0.33000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_15.PDB 5.81086 -7.91000 -0.04000 -1.84000 -8.83000 -0.09000 6.85000 -12.61000 1.87000 4.90000 2.85000 0.00000 0.00000 0.00000 0.05000 0.79000 0.00000 -0.83000 0.00000 -0.20000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_16.PDB 5.02432 -7.06000 -0.05000 -1.84000 -8.23000 0.08000 6.67000 -11.57000 1.30000 4.42000 2.88000 0.00000 0.00000 0.00000 0.15000 0.71000 0.00000 -0.88000 0.00000 0.02000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_17.PDB 6.23968 -6.43000 -0.04000 -1.84000 -8.23000 -0.34000 6.46000 -11.82000 2.78000 4.85000 2.58000 0.00000 0.00000 0.00000 0.35000 0.69000 0.00000 -0.94000 0.00000 -0.26000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_18.PDB 6.08128 -8.10000 -0.00000 -1.92000 -8.70000 0.14000 6.46000 -12.75000 1.88000 4.91000 2.51000 0.00000 0.00000 0.00000 0.11000 0.74000 0.00000 -0.77000 0.00000 0.04000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_19.PDB 6.15220 -8.79000 -0.00000 -1.89000 -9.10000 -0.04000 6.65000 -13.27000 1.81000 5.09000 2.49000 0.00000 0.00000 0.00000 0.18000 0.89000 0.00000 -0.64000 0.00000 -0.05000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_20.PDB 6.16352 -6.31000 -0.00000 -0.12000 -8.21000 0.06000 6.18000 -11.76000 1.45000 3.70000 2.87000 0.00000 0.00000 0.00000 0.16000 0.70000 0.00000 -0.70000 0.00000 0.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_21.PDB 4.97780 -7.24000 -0.04000 -2.92000 -8.54000 -0.02000 7.34000 -12.00000 1.39000 5.07000 3.04000 0.00000 0.00000 0.00000 0.08000 0.78000 0.00000 -0.62000 0.00000 -0.02000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_22.PDB 5.44351 -6.32000 -0.04000 -0.13000 -8.49000 0.09000 6.58000 -12.14000 1.85000 3.76000 2.83000 0.00000 0.00000 0.00000 0.09000 0.79000 0.00000 -0.76000 0.00000 0.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_23.PDB 7.76089 -5.93000 -0.04000 -0.08000 -9.16000 -0.14000 7.84000 -12.95000 1.88000 4.38000 2.91000 0.00000 0.00000 0.00000 0.24000 0.85000 0.00000 -0.57000 0.00000 -0.24000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_24.PDB 5.36636 -5.41000 -0.00000 -0.06000 -7.83000 0.01000 6.03000 -11.16000 2.00000 3.44000 2.70000 0.00000 0.00000 0.00000 0.08000 0.75000 0.00000 -0.61000 0.00000 -0.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_25.PDB 4.65503 -6.56000 -0.04000 -0.11000 -8.15000 0.05000 6.17000 -11.67000 1.92000 3.52000 2.72000 0.00000 0.00000 0.00000 0.08000 0.76000 0.00000 -1.14000 0.00000 0.08000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_26.PDB 4.35233 -6.33000 -0.04000 -0.09000 -7.78000 0.04000 6.07000 -11.00000 2.02000 2.68000 2.51000 0.00000 0.00000 0.00000 0.10000 0.71000 0.00000 -0.83000 0.00000 -0.01000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_27.PDB 5.20889 -6.39000 -0.00000 -0.13000 -8.22000 0.12000 6.09000 -11.85000 1.90000 3.71000 2.33000 0.00000 0.00000 0.00000 0.11000 0.80000 0.00000 -0.55000 0.00000 0.09000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_28.PDB 5.41832 -6.82000 -0.04000 -0.11000 -9.19000 -0.03000 7.19000 -13.02000 1.64000 4.22000 3.02000 0.00000 0.00000 0.00000 0.08000 0.73000 0.00000 -0.48000 0.00000 -0.09000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_29.PDB 3.82884 -6.30000 -0.04000 -0.06000 -8.09000 0.09000 6.12000 -11.61000 1.38000 3.57000 2.74000 0.00000 0.00000 0.00000 0.09000 0.57000 0.00000 -0.59000 0.00000 0.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-18_30.PDB 4.79067 -7.02000 -0.04000 -1.80000 -8.71000 0.11000 7.03000 -12.34000 1.69000 4.79000 3.11000 0.00000 0.00000 0.00000 0.11000 0.79000 0.00000 -0.98000 0.00000 0.01000 0.00000 2.38000 66.00000