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-17_1.PDB 6.16961 -5.88000 -0.90000 -4.36000 -7.97000 -0.54000 8.98000 -10.05000 1.70000 4.62000 3.77000 0.00000 0.00000 0.00000 0.13000 0.35000 0.00000 -0.79000 0.00000 -0.47000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_2.PDB 6.01906 -5.96000 -0.84000 -4.31000 -8.15000 -0.48000 9.27000 -10.23000 1.91000 4.49000 3.38000 0.00000 0.00000 0.00000 0.15000 0.38000 0.00000 -0.72000 0.00000 -0.42000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_3.PDB 6.13770 -6.02000 -0.84000 -4.31000 -7.92000 -0.58000 8.95000 -9.97000 1.51000 4.55000 3.64000 0.00000 0.00000 0.00000 0.14000 0.24000 0.00000 -0.72000 0.00000 -0.48000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_4.PDB 6.39270 -6.35000 -0.83000 -5.98000 -8.01000 -0.44000 9.06000 -10.09000 1.66000 5.51000 3.76000 0.00000 0.00000 0.00000 0.14000 0.24000 0.00000 -0.77000 0.00000 -0.36000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_5.PDB 6.33659 -5.73000 -0.84000 -4.86000 -8.21000 -0.62000 8.79000 -10.93000 3.37000 5.37000 3.29000 0.00000 0.00000 0.00000 0.16000 0.39000 0.00000 -0.72000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_6.PDB 6.28819 -6.19000 -0.85000 -4.43000 -8.23000 -0.70000 8.78000 -10.94000 3.12000 4.98000 3.31000 0.00000 0.00000 0.00000 0.14000 0.39000 0.00000 -0.74000 0.00000 -0.62000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_7.PDB 6.99703 -6.39000 -0.80000 -4.21000 -8.86000 -1.11000 9.71000 -11.36000 1.61000 6.53000 3.62000 0.00000 0.00000 0.00000 0.03000 0.49000 0.00000 -0.79000 0.00000 -0.76000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_8.PDB 6.34667 -6.46000 -0.79000 -4.42000 -9.23000 -1.07000 10.20000 -11.84000 1.77000 6.67000 3.69000 0.00000 0.00000 0.00000 0.08000 0.60000 0.00000 -0.84000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_9.PDB 6.34898 -6.06000 -0.84000 -4.30000 -8.00000 -0.83000 9.07000 -9.93000 1.82000 5.07000 3.35000 0.00000 0.00000 0.00000 0.15000 0.33000 0.00000 -0.97000 0.00000 -0.65000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_10.PDB 6.24970 -5.19000 -0.83000 -3.18000 -7.98000 -0.53000 9.05000 -9.93000 1.68000 4.32000 3.34000 0.00000 0.00000 0.00000 0.13000 0.32000 0.00000 -0.83000 0.00000 -0.43000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_11.PDB 6.27524 -6.20000 -0.83000 -5.01000 -8.16000 -0.62000 8.70000 -10.89000 3.05000 5.47000 3.22000 0.00000 0.00000 0.00000 0.14000 0.39000 0.00000 -0.75000 0.00000 -0.52000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_12.PDB 6.26433 -4.90000 -0.81000 -4.29000 -8.16000 -0.45000 8.89000 -10.83000 3.56000 4.63000 3.55000 0.00000 0.00000 0.00000 0.14000 0.27000 0.00000 -0.76000 0.00000 -0.37000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_13.PDB 7.77500 -5.73000 -0.81000 -2.50000 -8.55000 -0.61000 9.29000 -10.80000 1.66000 4.42000 3.51000 0.00000 0.00000 0.00000 0.11000 0.21000 0.00000 -0.92000 0.00000 -0.54000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_14.PDB 5.99736 -5.97000 -0.84000 -2.51000 -8.91000 -0.86000 9.68000 -11.52000 1.74000 5.10000 3.38000 0.00000 0.00000 0.00000 0.05000 0.53000 0.00000 -0.74000 0.00000 -0.53000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_15.PDB 6.25477 -5.14000 -0.83000 -3.51000 -8.36000 -0.59000 9.47000 -10.33000 1.66000 4.93000 3.77000 0.00000 0.00000 0.00000 0.13000 0.24000 0.00000 -0.92000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_16.PDB 7.47377 -6.88000 -2.12000 -6.04000 -8.30000 -0.74000 10.40000 -10.23000 1.64000 6.40000 3.89000 0.00000 0.00000 0.00000 0.17000 0.38000 0.00000 -1.48000 0.00000 -0.48000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_17.PDB 7.20383 -5.94000 -0.77000 -6.80000 -9.77000 -1.34000 11.31000 -12.46000 3.49000 8.45000 3.78000 0.00000 0.00000 0.00000 0.05000 0.66000 0.00000 -1.15000 0.00000 -0.74000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_18.PDB 7.53723 -6.08000 -0.85000 -2.67000 -8.25000 -0.68000 8.91000 -10.69000 1.65000 4.50000 3.34000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -0.79000 0.00000 -0.61000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_19.PDB 7.15689 -5.51000 -0.92000 -2.60000 -9.16000 -1.07000 9.75000 -12.34000 3.03000 5.56000 3.53000 0.00000 0.00000 0.00000 0.06000 0.48000 0.00000 -0.67000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_20.PDB 5.89068 -5.60000 -0.82000 -3.10000 -8.37000 -0.75000 9.27000 -10.88000 1.52000 5.43000 3.37000 0.00000 0.00000 0.00000 0.04000 0.37000 0.00000 -0.65000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_21.PDB 6.23436 -6.52000 -0.84000 -5.88000 -8.33000 -0.65000 9.52000 -10.46000 1.58000 5.86000 3.84000 0.00000 0.00000 0.00000 0.13000 0.41000 0.00000 -0.74000 0.00000 -0.55000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_22.PDB 6.89640 -5.84000 -0.86000 -5.44000 -8.29000 -0.69000 8.92000 -10.87000 2.88000 6.32000 3.50000 0.00000 0.00000 0.00000 0.13000 0.29000 0.00000 -0.87000 0.00000 -0.57000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_23.PDB 6.57443 -7.80000 -0.80000 -7.69000 -8.85000 -1.00000 10.64000 -10.57000 1.79000 6.81000 3.19000 0.00000 0.00000 0.00000 0.21000 0.60000 0.00000 -0.86000 0.00000 -0.66000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_24.PDB 6.71305 -4.93000 -0.78000 -2.66000 -8.58000 -0.72000 9.09000 -11.23000 3.16000 4.90000 3.20000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.61000 0.00000 -0.71000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_25.PDB 6.39446 -5.87000 -0.82000 -4.28000 -7.71000 -0.73000 9.25000 -9.36000 1.45000 4.21000 3.70000 0.00000 0.00000 0.00000 0.13000 0.33000 0.00000 -1.07000 0.00000 -0.63000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_26.PDB 6.32822 -6.12000 -0.85000 -4.25000 -7.90000 -0.86000 9.32000 -9.65000 1.82000 4.46000 3.28000 0.00000 0.00000 0.00000 0.19000 0.31000 0.00000 -0.94000 0.00000 -0.75000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_27.PDB 8.75705 -5.05000 -1.69000 -3.40000 -8.93000 -0.57000 9.82000 -11.57000 3.16000 5.56000 3.96000 0.00000 0.00000 0.00000 0.10000 0.40000 0.00000 -1.03000 0.00000 -0.46000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_28.PDB 8.90608 -6.50000 -0.85000 -4.72000 -9.02000 -0.68000 9.43000 -12.04000 2.67000 6.48000 3.59000 0.00000 0.00000 0.00000 0.22000 0.44000 0.00000 -1.00000 0.00000 -0.59000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_29.PDB 7.19577 -6.25000 -1.74000 -3.50000 -9.15000 -1.06000 10.78000 -11.52000 1.90000 5.96000 3.69000 0.00000 0.00000 0.00000 0.04000 0.54000 0.00000 -0.90000 0.00000 -0.76000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-17_30.PDB 7.03351 -7.35000 -1.74000 -5.25000 -8.75000 -0.80000 9.92000 -10.88000 1.47000 6.33000 3.95000 0.00000 0.00000 0.00000 0.14000 0.41000 0.00000 -1.05000 0.00000 -0.69000 0.00000 2.38000 65.00000