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-21_1.PDB 6.74543 -8.29000 -0.60000 -0.59000 -4.93000 -0.02000 2.60000 -7.52000 0.71000 2.38000 0.15000 0.00000 0.00000 0.00000 0.15000 0.67000 0.00000 -0.59000 0.00000 -0.03000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_2.PDB 7.54496 -9.16000 -1.21000 -1.33000 -5.92000 -0.30000 3.82000 -8.82000 1.14000 3.17000 0.55000 0.00000 0.00000 0.00000 0.33000 0.49000 0.00000 -0.42000 0.00000 -0.16000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_3.PDB 6.99337 -9.05000 -1.16000 -1.28000 -5.81000 -0.31000 3.93000 -8.57000 0.68000 3.12000 0.56000 0.00000 0.00000 0.00000 0.36000 0.57000 0.00000 -0.40000 0.00000 -0.17000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_4.PDB 6.83151 -9.10000 -1.02000 -1.07000 -6.08000 -0.38000 3.93000 -8.93000 1.27000 3.17000 0.54000 0.00000 0.00000 0.00000 0.19000 0.53000 0.00000 -0.47000 0.00000 -0.26000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_5.PDB 7.78467 -9.98000 -1.23000 -1.28000 -5.98000 -0.33000 3.72000 -9.04000 0.76000 3.36000 0.74000 0.00000 0.00000 0.00000 0.16000 0.72000 0.00000 -0.68000 0.00000 -0.19000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_6.PDB 6.83068 -7.90000 -0.59000 -0.53000 -5.47000 -0.05000 3.08000 -8.32000 1.07000 2.85000 0.34000 0.00000 0.00000 0.00000 0.11000 0.69000 0.00000 -0.32000 0.00000 -0.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_7.PDB 7.34161 -9.21000 -1.06000 -0.65000 -6.24000 -0.33000 4.16000 -9.37000 0.96000 3.29000 0.83000 0.00000 0.00000 0.00000 0.16000 0.69000 0.00000 -0.82000 0.00000 -0.16000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_8.PDB 7.36041 -7.55000 -0.67000 -0.56000 -5.02000 -0.02000 2.95000 -7.67000 0.85000 2.68000 0.35000 0.00000 0.00000 0.00000 0.10000 0.60000 0.00000 -0.51000 0.00000 -0.03000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_9.PDB 5.85033 -7.81000 -0.56000 -0.63000 -5.40000 -0.02000 3.21000 -7.88000 0.64000 2.86000 0.19000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -0.32000 0.00000 -0.02000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_10.PDB 6.42315 -7.77000 -0.49000 -0.47000 -5.17000 -0.05000 3.09000 -7.76000 0.65000 2.62000 0.21000 0.00000 0.00000 0.00000 0.19000 0.47000 0.00000 -0.50000 0.00000 -0.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_11.PDB 5.80526 -6.93000 -0.49000 -0.58000 -5.10000 -0.05000 2.96000 -7.47000 0.71000 2.94000 0.75000 0.00000 0.00000 0.00000 0.16000 0.45000 0.00000 -0.67000 0.00000 -0.09000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_12.PDB 6.53440 -7.88000 -0.51000 -0.49000 -5.36000 -0.08000 3.16000 -8.00000 0.96000 2.63000 0.24000 0.00000 0.00000 0.00000 0.20000 0.61000 0.00000 -0.54000 0.00000 -0.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_13.PDB 8.02672 -7.49000 -0.61000 -0.55000 -5.07000 -0.08000 3.06000 -7.56000 0.83000 2.49000 0.31000 0.00000 0.00000 0.00000 0.26000 0.61000 0.00000 -0.51000 0.00000 -0.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_14.PDB 6.66829 -9.74000 -1.16000 -1.28000 -5.97000 -0.35000 3.95000 -8.55000 0.71000 3.09000 0.55000 0.00000 0.00000 0.00000 0.20000 0.51000 0.00000 -0.76000 0.00000 -0.17000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_15.PDB 7.14475 -8.68000 -1.01000 -1.19000 -5.63000 -0.33000 3.78000 -8.27000 0.75000 3.00000 0.55000 0.00000 0.00000 0.00000 0.23000 0.56000 0.00000 -0.40000 0.00000 -0.17000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_16.PDB 6.82135 -9.42000 -1.17000 -1.27000 -5.76000 -0.30000 3.79000 -8.59000 0.79000 3.09000 0.54000 0.00000 0.00000 0.00000 0.33000 0.61000 0.00000 -0.71000 0.00000 -0.18000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_17.PDB 7.86351 -7.88000 -0.50000 -0.48000 -5.35000 -0.12000 3.20000 -7.96000 0.70000 2.67000 0.30000 0.00000 0.00000 0.00000 0.21000 0.63000 0.00000 -0.42000 0.00000 -0.14000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_18.PDB 5.48627 -9.54000 -1.08000 -1.21000 -6.17000 -0.34000 4.03000 -8.79000 0.96000 3.30000 0.55000 0.00000 0.00000 0.00000 0.22000 0.60000 0.00000 -0.80000 0.00000 -0.21000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_19.PDB 6.69574 -7.55000 -0.56000 -0.58000 -5.10000 -0.06000 2.97000 -7.67000 0.93000 2.43000 0.21000 0.00000 0.00000 0.00000 0.19000 0.52000 0.00000 -0.25000 0.00000 -0.06000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_20.PDB 7.75241 -7.66000 -0.56000 -0.54000 -5.00000 -0.07000 2.96000 -7.49000 0.68000 2.42000 0.30000 0.00000 0.00000 0.00000 0.21000 0.55000 0.00000 -0.51000 0.00000 -0.07000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_21.PDB 7.20646 -7.94000 -1.00000 -0.70000 -5.75000 -0.33000 3.98000 -8.36000 1.53000 2.70000 0.65000 0.00000 0.00000 0.00000 0.27000 0.61000 0.00000 -0.75000 0.00000 -0.18000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_22.PDB 5.93171 -7.62000 -0.57000 -0.49000 -5.19000 0.04000 3.05000 -7.77000 1.07000 2.39000 0.18000 0.00000 0.00000 0.00000 0.17000 0.84000 0.00000 -0.51000 0.00000 0.01000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_23.PDB 8.21251 -8.01000 -0.60000 -0.66000 -4.93000 -0.16000 2.65000 -7.59000 0.69000 2.53000 0.20000 0.00000 0.00000 0.00000 0.31000 0.57000 0.00000 -0.33000 0.00000 -0.13000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_24.PDB 7.93245 -7.94000 -0.49000 -0.51000 -5.45000 -0.11000 3.26000 -8.16000 0.74000 2.83000 0.21000 0.00000 0.00000 0.00000 0.25000 0.66000 0.00000 -0.39000 0.00000 -0.11000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_25.PDB 7.94616 -9.37000 -1.17000 -1.20000 -6.10000 -0.33000 3.95000 -9.14000 0.84000 3.37000 0.74000 0.00000 0.00000 0.00000 0.19000 0.62000 0.00000 -0.32000 0.00000 -0.20000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_26.PDB 8.44062 -7.52000 -0.55000 -0.62000 -5.28000 -0.11000 3.06000 -7.99000 1.27000 2.66000 0.23000 0.00000 0.00000 0.00000 0.29000 0.42000 0.00000 -0.37000 0.00000 -0.10000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_27.PDB 6.35164 -7.75000 -0.51000 -0.45000 -5.47000 0.02000 3.25000 -8.14000 0.75000 2.76000 0.27000 0.00000 0.00000 0.00000 0.18000 0.84000 0.00000 -0.40000 0.00000 -0.01000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_28.PDB 6.40907 -9.28000 -1.20000 -1.31000 -5.69000 -0.31000 3.73000 -8.39000 0.67000 2.97000 0.55000 0.00000 0.00000 0.00000 0.28000 0.61000 0.00000 -0.41000 0.00000 -0.17000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_29.PDB 8.32868 -10.26000 -1.24000 -1.29000 -6.24000 -0.41000 4.02000 -9.38000 0.84000 3.69000 0.73000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -0.88000 0.00000 -0.26000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-21_30.PDB 7.13802 -7.70000 -1.08000 -0.65000 -5.90000 -0.09000 3.94000 -8.82000 0.84000 3.46000 0.72000 0.00000 0.00000 0.00000 0.14000 0.72000 0.00000 -0.22000 0.00000 -0.05000 0.00000 2.38000 66.00000