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-1_1.PDB 8.72478 -10.60000 -1.47000 -5.57000 -8.51000 -3.77000 9.92000 -9.44000 1.24000 7.08000 2.64000 0.00000 0.00000 0.00000 0.51000 0.70000 0.00000 -1.12000 0.00000 -2.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_2.PDB 8.26555 -12.61000 -1.41000 -7.27000 -8.94000 -3.35000 11.19000 -9.76000 0.91000 6.26000 2.27000 0.00000 0.00000 0.00000 0.54000 0.66000 0.00000 -1.11000 0.00000 -1.94000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_3.PDB 7.70280 -13.16000 -1.42000 -4.26000 -9.08000 -3.18000 9.88000 -10.36000 0.89000 5.41000 2.14000 0.00000 0.00000 0.00000 0.35000 0.71000 0.00000 -1.19000 0.00000 -2.35000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_4.PDB 10.84041 -11.01000 -1.45000 -4.78000 -8.42000 -3.47000 9.70000 -9.60000 2.05000 5.59000 2.51000 0.00000 0.00000 0.00000 0.52000 0.57000 0.00000 -1.65000 0.00000 -2.02000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_5.PDB 8.54574 -10.31000 -1.48000 -5.07000 -8.44000 -3.38000 10.04000 -9.44000 1.24000 6.17000 2.58000 0.00000 0.00000 0.00000 0.49000 0.61000 0.00000 -1.15000 0.00000 -1.87000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_6.PDB 8.27633 -10.20000 -1.46000 -8.62000 -9.12000 -2.25000 10.98000 -10.12000 1.49000 7.66000 3.11000 0.00000 0.00000 0.00000 0.42000 0.64000 0.00000 -1.07000 0.00000 -1.22000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_7.PDB 9.30571 -11.77000 -1.41000 -5.86000 -9.35000 -3.31000 11.44000 -10.42000 0.97000 6.08000 2.25000 0.00000 0.00000 0.00000 0.58000 0.71000 0.00000 -0.81000 0.00000 -1.92000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_8.PDB 8.68661 -11.40000 -1.42000 -4.41000 -8.58000 -3.49000 9.99000 -9.64000 0.83000 5.70000 2.51000 0.00000 0.00000 0.00000 0.56000 0.61000 0.00000 -1.46000 0.00000 -2.00000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_9.PDB 7.58930 -8.03000 -1.49000 -3.81000 -8.58000 -3.40000 10.47000 -9.67000 2.95000 5.48000 2.25000 0.00000 0.00000 0.00000 0.48000 0.62000 0.00000 -0.83000 0.00000 -1.88000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_10.PDB 8.46055 -7.84000 -1.46000 -7.45000 -8.51000 -2.18000 9.98000 -9.51000 2.56000 7.25000 2.91000 0.00000 0.00000 0.00000 0.35000 0.59000 0.00000 -0.67000 0.00000 -1.12000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_11.PDB 8.94167 -12.48000 -0.80000 -6.68000 -9.09000 -3.45000 10.98000 -10.07000 0.99000 6.33000 1.96000 0.00000 0.00000 0.00000 0.58000 0.65000 0.00000 -1.20000 0.00000 -2.03000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_12.PDB 8.01022 -8.86000 -1.53000 -6.71000 -8.46000 -2.26000 9.83000 -9.55000 1.61000 6.90000 3.12000 0.00000 0.00000 0.00000 0.38000 0.56000 0.00000 -0.93000 0.00000 -1.28000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_13.PDB 10.08734 -9.07000 -1.42000 -6.71000 -8.58000 -2.68000 10.41000 -9.86000 1.80000 7.27000 2.69000 0.00000 0.00000 0.00000 0.37000 0.55000 0.00000 -0.75000 0.00000 -1.61000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_14.PDB 8.27130 -10.43000 -0.78000 -5.43000 -8.50000 -3.58000 10.70000 -9.42000 0.94000 5.82000 1.87000 0.00000 0.00000 0.00000 0.60000 0.61000 0.00000 -0.67000 0.00000 -1.99000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_15.PDB 8.52848 -9.85000 -1.45000 -5.39000 -8.75000 -3.36000 10.23000 -9.96000 2.68000 6.11000 2.28000 0.00000 0.00000 0.00000 0.49000 0.61000 0.00000 -0.79000 0.00000 -1.94000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_16.PDB 8.91811 -10.11000 -1.62000 -6.84000 -9.32000 -3.61000 12.14000 -10.05000 1.11000 8.42000 2.56000 0.00000 0.00000 0.00000 0.54000 0.66000 0.00000 -1.39000 0.00000 -2.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_17.PDB 8.08451 -10.92000 -1.50000 -9.11000 -9.16000 -2.26000 10.90000 -10.34000 1.34000 7.96000 2.94000 0.00000 0.00000 0.00000 0.43000 0.79000 0.00000 -0.88000 0.00000 -1.24000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_18.PDB 9.15614 -9.91000 -2.43000 -7.16000 -9.20000 -3.11000 11.83000 -9.83000 1.94000 8.22000 2.81000 0.00000 0.00000 0.00000 0.46000 0.61000 0.00000 -1.52000 0.00000 -1.92000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_19.PDB 8.83399 -9.18000 -0.77000 -4.44000 -8.32000 -3.56000 10.09000 -9.36000 1.03000 6.44000 1.97000 0.00000 0.00000 0.00000 0.50000 0.61000 0.00000 -0.82000 0.00000 -1.96000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_20.PDB 9.37316 -9.36000 -1.15000 -6.69000 -8.46000 -2.36000 10.06000 -9.78000 1.40000 6.53000 2.51000 0.00000 0.00000 0.00000 0.44000 0.63000 0.00000 -0.54000 0.00000 -1.32000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_21.PDB 8.24015 -11.77000 -1.44000 -7.18000 -9.26000 -2.83000 11.39000 -10.56000 0.83000 6.83000 2.39000 0.00000 0.00000 0.00000 0.51000 0.68000 0.00000 -0.68000 0.00000 -1.77000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_22.PDB 7.92204 -8.79000 -1.48000 -7.21000 -8.55000 -2.16000 9.89000 -9.64000 1.70000 7.30000 2.90000 0.00000 0.00000 0.00000 0.38000 0.61000 0.00000 -0.82000 0.00000 -1.10000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_23.PDB 8.78754 -9.28000 -0.79000 -4.31000 -8.33000 -3.36000 9.80000 -9.51000 1.62000 5.58000 2.16000 0.00000 0.00000 0.00000 0.58000 0.55000 0.00000 -0.73000 0.00000 -1.98000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_24.PDB 9.28596 -9.13000 -1.14000 -1.40000 -8.36000 -2.77000 9.19000 -9.56000 1.78000 3.29000 2.24000 0.00000 0.00000 0.00000 0.50000 0.65000 0.00000 -0.96000 0.00000 -1.91000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_25.PDB 7.80069 -7.62000 -1.48000 -6.32000 -8.88000 -2.37000 10.89000 -9.65000 3.15000 5.81000 2.79000 0.00000 0.00000 0.00000 0.46000 0.62000 0.00000 -0.77000 0.00000 -1.25000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_26.PDB 7.12642 -8.25000 -3.15000 -4.82000 -9.27000 -2.17000 11.12000 -10.43000 3.61000 6.85000 3.61000 0.00000 0.00000 0.00000 0.23000 0.71000 0.00000 -2.26000 0.00000 -1.58000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_27.PDB 8.39643 -12.01000 -2.37000 -5.61000 -9.57000 -3.83000 11.92000 -10.07000 1.11000 7.56000 2.24000 0.00000 0.00000 0.00000 0.43000 0.73000 0.00000 -1.50000 0.00000 -2.32000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_28.PDB 8.60282 -9.62000 -1.42000 -5.29000 -8.61000 -3.56000 10.44000 -9.63000 1.36000 6.89000 2.23000 0.00000 0.00000 0.00000 0.54000 0.62000 0.00000 -0.64000 0.00000 -1.93000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_29.PDB 9.62752 -10.57000 -0.80000 -4.60000 -8.20000 -3.41000 9.56000 -9.33000 1.09000 5.67000 2.04000 0.00000 0.00000 0.00000 0.52000 0.59000 0.00000 -1.10000 0.00000 -2.02000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-1_30.PDB 9.24487 -11.15000 -2.13000 -8.09000 -9.42000 -2.69000 12.45000 -10.28000 1.00000 8.00000 2.36000 0.00000 0.00000 0.00000 0.49000 0.67000 0.00000 -1.16000 0.00000 -1.69000 0.00000 2.38000 66.00000