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-16_1.PDB 5.64474 -6.39000 -1.06000 -1.05000 -7.61000 0.10000 6.64000 -10.77000 0.69000 4.18000 2.84000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.44000 0.00000 0.01000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_2.PDB 3.29899 -6.63000 -1.05000 -1.01000 -7.71000 0.04000 6.80000 -10.81000 0.60000 4.31000 2.85000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -0.65000 0.00000 -0.06000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_3.PDB 5.34298 -6.08000 -0.88000 -0.86000 -7.77000 -0.05000 6.78000 -10.93000 0.69000 4.53000 2.96000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.47000 0.00000 -0.17000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_4.PDB 6.08028 -3.28000 -1.34000 -1.26000 -8.75000 -0.10000 8.21000 -11.85000 4.05000 5.08000 3.09000 0.00000 0.00000 0.00000 0.08000 0.65000 0.00000 -0.25000 0.00000 -0.25000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_5.PDB 3.60751 -6.51000 -1.10000 -1.05000 -7.89000 0.05000 6.88000 -11.07000 0.59000 4.49000 3.00000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -0.46000 0.00000 -0.02000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_6.PDB 5.45536 -6.20000 -1.15000 -1.08000 -7.71000 0.04000 6.86000 -10.76000 0.62000 4.36000 2.94000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.36000 0.00000 -0.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_7.PDB 3.38659 -3.10000 -1.43000 -1.35000 -8.67000 -0.11000 8.19000 -11.74000 4.61000 4.95000 2.97000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.35000 0.00000 -0.26000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_8.PDB 3.71965 -6.51000 -1.04000 -1.02000 -7.66000 -0.07000 6.78000 -10.82000 0.66000 4.46000 2.94000 0.00000 0.00000 0.00000 0.08000 0.46000 0.00000 -0.60000 0.00000 -0.20000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_9.PDB 5.55924 -7.12000 -1.00000 -0.98000 -8.18000 -0.03000 7.28000 -11.44000 0.71000 4.72000 2.20000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -0.42000 0.00000 -0.09000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_10.PDB 5.40405 -2.92000 -1.63000 -1.46000 -8.73000 0.08000 8.03000 -11.86000 5.25000 4.62000 2.90000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -0.25000 0.00000 0.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_11.PDB 5.70916 -4.90000 -1.06000 -2.78000 -7.44000 -0.08000 7.42000 -9.88000 0.69000 5.75000 3.36000 0.00000 0.00000 0.00000 0.08000 0.38000 0.00000 -0.72000 0.00000 -0.24000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_12.PDB 5.90616 -5.06000 -1.15000 -2.85000 -8.25000 0.07000 7.97000 -11.11000 1.30000 5.94000 3.46000 0.00000 0.00000 0.00000 0.13000 0.54000 0.00000 -0.53000 0.00000 -0.04000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_13.PDB 3.81861 -8.01000 -1.18000 -2.85000 -8.08000 -0.03000 7.17000 -11.27000 0.79000 5.74000 2.45000 0.00000 0.00000 0.00000 0.12000 0.43000 0.00000 -0.79000 0.00000 -0.07000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_14.PDB 4.89933 -2.73000 -0.95000 -0.81000 -8.35000 0.14000 7.75000 -11.40000 3.86000 4.61000 2.96000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -0.64000 0.00000 0.04000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_15.PDB 6.45737 -5.46000 -0.88000 -2.65000 -8.07000 0.04000 7.65000 -10.97000 0.74000 5.97000 3.62000 0.00000 0.00000 0.00000 0.10000 0.48000 0.00000 -0.88000 0.00000 -0.12000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_16.PDB 5.60412 -7.61000 -1.14000 -1.09000 -7.76000 -0.13000 6.78000 -10.95000 0.70000 4.53000 2.15000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.58000 0.00000 -0.19000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_17.PDB 3.54528 -4.80000 -1.15000 -2.82000 -7.46000 0.05000 7.55000 -9.84000 0.59000 5.52000 3.20000 0.00000 0.00000 0.00000 0.11000 0.35000 0.00000 -0.52000 0.00000 -0.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_18.PDB 5.56405 -4.36000 -1.17000 -1.09000 -7.15000 0.04000 7.00000 -9.56000 0.57000 4.23000 2.96000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.25000 0.00000 -0.04000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_19.PDB 5.58077 -7.37000 -1.14000 -2.87000 -7.98000 -0.14000 7.37000 -10.96000 0.77000 5.64000 3.12000 0.00000 0.00000 0.00000 0.06000 0.42000 0.00000 -1.01000 0.00000 -0.23000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_20.PDB 4.14671 -3.14000 -1.52000 -1.43000 -8.67000 -0.13000 7.99000 -11.86000 5.45000 4.71000 2.92000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.42000 0.00000 -0.28000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_21.PDB 5.89311 -7.00000 -1.07000 -2.82000 -8.14000 -0.06000 7.41000 -11.10000 1.41000 5.68000 2.44000 0.00000 0.00000 0.00000 0.11000 0.49000 0.00000 -0.73000 0.00000 -0.13000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_22.PDB 3.04381 -5.38000 -1.11000 -1.06000 -7.95000 0.11000 7.21000 -10.88000 0.83000 4.73000 3.05000 0.00000 0.00000 0.00000 0.10000 0.48000 0.00000 -0.44000 0.00000 0.03000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_23.PDB 3.57886 -7.31000 -1.06000 -0.99000 -7.68000 -0.06000 6.76000 -10.79000 0.63000 4.29000 2.09000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -0.46000 0.00000 -0.10000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_24.PDB 5.44797 -6.55000 -0.94000 -0.87000 -7.84000 -0.03000 7.10000 -10.88000 0.71000 4.45000 2.18000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -0.48000 0.00000 -0.05000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_25.PDB 5.42501 -5.42000 -1.11000 -1.07000 -8.09000 0.04000 7.47000 -11.15000 0.58000 5.06000 3.41000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -0.51000 0.00000 -0.13000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_26.PDB 5.91333 -3.66000 -1.08000 -2.81000 -7.62000 0.05000 7.76000 -9.95000 1.46000 5.86000 3.42000 0.00000 0.00000 0.00000 0.09000 0.41000 0.00000 -0.74000 0.00000 -0.09000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_27.PDB 5.54455 -5.45000 -0.84000 -2.56000 -8.10000 0.03000 7.49000 -11.17000 1.54000 5.79000 3.36000 0.00000 0.00000 0.00000 0.07000 0.54000 0.00000 -0.93000 0.00000 -0.11000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_28.PDB 3.78768 -7.60000 -1.14000 -2.85000 -7.83000 -0.18000 7.05000 -10.93000 0.65000 5.67000 3.00000 0.00000 0.00000 0.00000 0.09000 0.41000 0.00000 -0.88000 0.00000 -0.27000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_29.PDB 3.39224 -4.92000 -1.15000 -1.10000 -7.23000 -0.03000 6.97000 -9.79000 0.57000 4.50000 2.96000 0.00000 0.00000 0.00000 0.07000 0.34000 0.00000 -0.56000 0.00000 -0.14000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-16_30.PDB 5.63362 -5.23000 -1.16000 -2.82000 -7.50000 0.05000 7.51000 -9.94000 0.60000 5.50000 3.35000 0.00000 0.00000 0.00000 0.07000 0.37000 0.00000 -0.82000 0.00000 -0.06000 0.00000 2.38000 65.00000