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-23_1.PDB 5.12801 -6.33000 -1.02000 -2.56000 -5.57000 -0.94000 5.03000 -7.20000 0.75000 4.52000 1.70000 0.00000 0.00000 0.00000 0.03000 0.15000 0.00000 -0.44000 0.00000 -0.64000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_2.PDB 5.64452 -5.04000 -0.97000 -2.55000 -5.25000 -0.92000 5.01000 -6.62000 0.53000 4.41000 2.26000 0.00000 0.00000 0.00000 0.03000 0.15000 0.00000 -0.31000 0.00000 -0.66000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_3.PDB 3.81923 -5.14000 -0.87000 -2.51000 -4.92000 -0.88000 4.61000 -6.34000 1.15000 4.05000 1.72000 0.00000 0.00000 0.00000 0.04000 0.05000 0.00000 -0.64000 0.00000 -0.54000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_4.PDB 6.06088 -5.43000 -0.95000 -2.92000 -5.25000 -1.16000 5.63000 -6.47000 0.32000 4.49000 1.95000 0.00000 0.00000 0.00000 0.02000 0.18000 0.00000 -0.40000 0.00000 -0.69000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_5.PDB 5.52476 -6.34000 -0.94000 -3.89000 -5.08000 -1.71000 5.92000 -6.26000 0.36000 5.27000 1.68000 0.00000 0.00000 0.00000 0.02000 0.18000 0.00000 -0.43000 0.00000 -1.28000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_6.PDB 5.68773 -6.13000 -0.94000 -1.66000 -5.63000 -0.84000 5.27000 -7.50000 0.48000 3.97000 1.64000 0.00000 0.00000 0.00000 0.07000 0.17000 0.00000 -0.38000 0.00000 -0.60000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_7.PDB 6.20888 -6.84000 -1.01000 -2.63000 -4.85000 -1.09000 4.52000 -6.27000 0.24000 4.09000 1.55000 0.00000 0.00000 0.00000 0.03000 0.17000 0.00000 -0.64000 0.00000 -0.76000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_8.PDB 4.08557 -4.71000 -0.87000 -2.42000 -4.47000 -0.83000 4.50000 -5.69000 0.67000 3.21000 1.90000 0.00000 0.00000 0.00000 0.04000 0.05000 0.00000 -0.21000 0.00000 -0.53000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_9.PDB 5.38559 -5.62000 -0.94000 -3.66000 -5.14000 -0.89000 5.49000 -6.31000 0.43000 4.64000 1.82000 0.00000 0.00000 0.00000 0.01000 0.23000 0.00000 -0.52000 0.00000 -0.55000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_10.PDB 3.72587 -5.22000 -0.91000 -2.42000 -4.62000 -0.81000 4.55000 -6.02000 0.91000 3.29000 1.47000 0.00000 0.00000 0.00000 0.02000 0.02000 0.00000 -0.21000 0.00000 -0.46000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_11.PDB 5.93018 -5.38000 -0.96000 -2.47000 -5.00000 -0.98000 4.96000 -6.28000 0.33000 3.89000 2.18000 0.00000 0.00000 0.00000 0.02000 0.17000 0.00000 -0.44000 0.00000 -0.64000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_12.PDB 5.37575 -5.05000 -0.87000 -4.32000 -4.98000 -1.10000 5.22000 -6.37000 1.05000 4.91000 2.30000 0.00000 0.00000 0.00000 0.02000 0.04000 0.00000 -0.23000 0.00000 -0.67000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_13.PDB 4.98959 -5.29000 -0.89000 -1.66000 -5.78000 -0.59000 5.25000 -7.61000 1.14000 3.90000 1.64000 0.00000 0.00000 0.00000 0.02000 0.20000 0.00000 -0.21000 0.00000 -0.51000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_14.PDB 4.88475 -4.97000 -0.95000 -2.53000 -4.42000 -0.80000 4.45000 -5.65000 0.43000 3.57000 1.83000 0.00000 0.00000 0.00000 0.02000 0.02000 0.00000 -0.45000 0.00000 -0.47000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_15.PDB 2.70222 -5.39000 -0.97000 -3.34000 -4.33000 -1.08000 4.42000 -5.60000 0.54000 4.21000 1.95000 0.00000 0.00000 0.00000 0.04000 0.04000 0.00000 -0.37000 0.00000 -0.88000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_16.PDB 5.30934 -4.79000 -0.85000 -0.83000 -4.80000 -0.13000 3.83000 -6.78000 1.40000 2.19000 1.52000 0.00000 0.00000 0.00000 0.03000 0.04000 0.00000 -0.24000 0.00000 -0.13000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_17.PDB 4.67031 -5.64000 -0.86000 -2.33000 -5.51000 -0.91000 5.27000 -6.77000 1.17000 3.37000 2.00000 0.00000 0.00000 0.00000 0.05000 0.14000 0.00000 -0.48000 0.00000 -0.64000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_18.PDB 5.39027 -5.04000 -0.88000 -4.69000 -4.70000 -1.15000 5.36000 -5.70000 0.89000 5.63000 1.36000 0.00000 0.00000 0.00000 0.02000 0.23000 0.00000 -0.29000 0.00000 -0.88000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_19.PDB 5.33226 -5.19000 -0.91000 -2.35000 -5.03000 -0.06000 3.87000 -7.08000 1.02000 3.57000 2.04000 0.00000 0.00000 0.00000 0.02000 0.03000 0.00000 -0.19000 0.00000 -0.07000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_20.PDB 5.88770 -5.84000 -0.92000 -2.55000 -5.63000 -0.95000 5.24000 -7.50000 1.22000 4.60000 1.65000 0.00000 0.00000 0.00000 0.02000 0.14000 0.00000 -0.14000 0.00000 -0.88000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_21.PDB 4.66711 -5.20000 -0.96000 -2.45000 -4.05000 -0.84000 4.12000 -5.28000 0.23000 2.86000 1.92000 0.00000 0.00000 0.00000 0.03000 0.09000 0.00000 -0.19000 0.00000 -0.60000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_22.PDB 3.13390 -5.63000 -0.86000 -2.43000 -4.92000 -0.83000 4.64000 -5.91000 1.03000 3.36000 1.25000 0.00000 0.00000 0.00000 0.05000 0.06000 0.00000 -0.54000 0.00000 -0.48000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_23.PDB 4.30770 -5.48000 -0.95000 -2.58000 -5.25000 -0.97000 4.98000 -6.66000 0.57000 4.17000 2.23000 0.00000 0.00000 0.00000 0.03000 0.05000 0.00000 -0.54000 0.00000 -0.51000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_24.PDB 4.85511 -6.04000 -0.94000 -2.51000 -5.50000 -1.24000 5.63000 -6.81000 0.49000 4.70000 1.53000 0.00000 0.00000 0.00000 0.02000 0.20000 0.00000 -0.50000 0.00000 -0.92000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_25.PDB 4.41921 -5.92000 -0.94000 -2.55000 -4.50000 -1.07000 4.39000 -5.76000 0.24000 3.81000 1.47000 0.00000 0.00000 0.00000 0.03000 0.19000 0.00000 -0.27000 0.00000 -0.79000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_26.PDB 4.84971 -5.82000 -0.88000 -3.19000 -4.64000 -1.47000 4.97000 -5.70000 0.50000 4.66000 1.66000 0.00000 0.00000 0.00000 0.04000 0.19000 0.00000 -0.60000 0.00000 -1.17000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_27.PDB 6.23033 -6.45000 -0.93000 -1.72000 -5.22000 -0.72000 4.41000 -7.15000 0.30000 3.48000 1.83000 0.00000 0.00000 0.00000 0.03000 0.20000 0.00000 -0.13000 0.00000 -0.63000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_28.PDB 3.05303 -4.91000 -0.85000 -2.49000 -4.62000 -0.81000 4.60000 -5.79000 0.61000 3.64000 1.69000 0.00000 0.00000 0.00000 0.02000 0.03000 0.00000 -0.46000 0.00000 -0.46000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_29.PDB 3.61206 -5.40000 -0.82000 -2.44000 -4.23000 -1.01000 4.30000 -5.39000 0.50000 3.34000 1.39000 0.00000 0.00000 0.00000 0.03000 0.07000 0.00000 -0.44000 0.00000 -0.64000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-23_30.PDB 4.01308 -3.52000 -0.80000 -2.43000 -3.82000 -0.68000 3.63000 -5.08000 1.27000 3.05000 1.94000 0.00000 0.00000 0.00000 0.04000 0.03000 0.00000 -0.21000 0.00000 -0.43000 0.00000 2.38000 63.00000