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-12_1.PDB 4.55630 -6.42000 -0.16000 -4.44000 -5.04000 -0.98000 5.13000 -6.75000 0.23000 5.20000 1.44000 0.00000 0.00000 0.00000 0.09000 0.25000 0.00000 -0.44000 0.00000 -0.71000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_2.PDB 4.99304 -6.22000 -0.71000 -4.05000 -5.22000 -0.99000 6.19000 -6.82000 0.31000 4.40000 1.34000 0.00000 0.00000 0.00000 0.13000 0.36000 0.00000 -0.26000 0.00000 -0.54000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_3.PDB 4.46453 -6.76000 -0.67000 -4.59000 -5.03000 -0.91000 5.77000 -6.62000 0.25000 4.70000 1.41000 0.00000 0.00000 0.00000 0.11000 0.27000 0.00000 -0.50000 0.00000 -0.67000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_4.PDB 4.71910 -6.32000 -0.90000 -4.10000 -5.21000 -0.95000 6.28000 -6.76000 0.46000 4.01000 1.89000 0.00000 0.00000 0.00000 0.10000 0.43000 0.00000 -0.55000 0.00000 -0.58000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_5.PDB 4.80388 -5.67000 -0.58000 -3.42000 -5.05000 -1.00000 6.16000 -6.58000 0.40000 3.58000 1.83000 0.00000 0.00000 0.00000 0.13000 0.45000 0.00000 -0.56000 0.00000 -0.59000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_6.PDB 4.49111 -6.68000 -0.78000 -4.51000 -5.45000 -1.21000 6.56000 -7.06000 0.32000 4.76000 1.89000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.50000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_7.PDB 4.43803 -6.68000 -0.02000 -4.16000 -5.06000 -1.02000 4.98000 -6.81000 0.21000 5.16000 1.47000 0.00000 0.00000 0.00000 0.09000 0.33000 0.00000 -0.80000 0.00000 -0.73000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_8.PDB 4.43247 -6.01000 -0.17000 -4.44000 -4.72000 -1.23000 5.29000 -6.20000 0.24000 4.94000 1.45000 0.00000 0.00000 0.00000 0.08000 0.36000 0.00000 -0.41000 0.00000 -0.85000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_9.PDB 4.48308 -6.22000 -0.20000 -4.12000 -4.79000 -1.08000 5.11000 -6.41000 0.27000 4.88000 1.60000 0.00000 0.00000 0.00000 0.07000 0.32000 0.00000 -0.77000 0.00000 -0.78000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_10.PDB 4.71316 -5.75000 -0.69000 -4.02000 -5.15000 -1.13000 6.69000 -6.44000 0.32000 4.23000 1.36000 0.00000 0.00000 0.00000 0.10000 0.55000 0.00000 -0.32000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_11.PDB 4.56691 -5.77000 -0.91000 -3.79000 -5.22000 -1.42000 6.83000 -6.64000 1.07000 4.04000 1.70000 0.00000 0.00000 0.00000 0.09000 0.47000 0.00000 -0.64000 0.00000 -0.89000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_12.PDB 4.40983 -6.81000 -0.75000 -4.78000 -5.86000 -2.18000 8.11000 -7.41000 0.57000 5.84000 1.44000 0.00000 0.00000 0.00000 0.11000 0.46000 0.00000 -0.76000 0.00000 -1.13000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_13.PDB 5.69809 -5.66000 -0.84000 -3.48000 -5.42000 -1.70000 7.61000 -6.84000 0.40000 4.27000 1.40000 0.00000 0.00000 0.00000 0.10000 0.44000 0.00000 -0.26000 0.00000 -0.90000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_14.PDB 4.86470 -6.25000 -0.31000 -4.26000 -4.97000 -1.30000 5.43000 -6.64000 0.29000 4.72000 2.03000 0.00000 0.00000 0.00000 0.07000 0.32000 0.00000 -0.48000 0.00000 -0.82000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_15.PDB 4.57668 -5.74000 -0.86000 -4.18000 -5.14000 -1.09000 6.77000 -6.50000 0.37000 3.87000 1.83000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.26000 0.00000 -0.65000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_16.PDB 4.67481 -6.09000 -0.44000 -3.62000 -5.36000 -1.16000 6.08000 -7.05000 0.56000 4.83000 1.50000 0.00000 0.00000 0.00000 0.12000 0.32000 0.00000 -0.71000 0.00000 -0.83000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_17.PDB 4.73648 -6.24000 -0.81000 -4.63000 -5.48000 -0.92000 6.53000 -7.09000 0.65000 4.45000 1.84000 0.00000 0.00000 0.00000 0.12000 0.44000 0.00000 -0.35000 0.00000 -0.56000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_18.PDB 4.72816 -6.54000 -0.57000 -4.65000 -5.38000 -0.91000 6.12000 -7.02000 0.63000 4.84000 1.59000 0.00000 0.00000 0.00000 0.12000 0.41000 0.00000 -0.73000 0.00000 -0.58000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_19.PDB 4.50704 -5.64000 -0.73000 -2.14000 -4.81000 -1.19000 5.78000 -6.30000 0.29000 3.11000 1.62000 0.00000 0.00000 0.00000 0.09000 0.40000 0.00000 -0.58000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_20.PDB 4.54122 -5.95000 -0.82000 -4.18000 -5.54000 -1.04000 6.71000 -7.07000 1.04000 4.92000 1.41000 0.00000 0.00000 0.00000 0.11000 0.41000 0.00000 -0.73000 0.00000 -0.75000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_21.PDB 4.27777 -6.70000 -0.84000 -4.24000 -5.46000 -1.25000 6.70000 -7.01000 0.26000 4.68000 1.51000 0.00000 0.00000 0.00000 0.10000 0.42000 0.00000 -0.52000 0.00000 -0.65000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_22.PDB 3.79533 -6.22000 -0.70000 -3.25000 -4.79000 -0.94000 5.23000 -6.25000 0.30000 4.18000 1.33000 0.00000 0.00000 0.00000 0.07000 0.24000 0.00000 -0.62000 0.00000 -0.79000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_23.PDB 4.53617 -5.30000 -0.88000 -2.59000 -5.15000 -1.35000 6.36000 -6.71000 1.18000 3.82000 1.19000 0.00000 0.00000 0.00000 0.11000 0.40000 0.00000 -0.55000 0.00000 -0.74000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_24.PDB 4.81402 -6.32000 -0.88000 -2.46000 -5.08000 -1.37000 5.81000 -6.72000 0.59000 3.28000 1.60000 0.00000 0.00000 0.00000 0.21000 0.38000 0.00000 -0.42000 0.00000 -0.88000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_25.PDB 4.78873 -6.31000 -0.67000 -4.61000 -5.55000 -0.94000 6.57000 -7.19000 0.66000 4.44000 1.88000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.42000 0.00000 -0.58000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_26.PDB 4.55902 -5.99000 -0.08000 -3.98000 -5.20000 -0.96000 5.59000 -6.86000 0.48000 4.61000 1.92000 0.00000 0.00000 0.00000 0.10000 0.38000 0.00000 -0.89000 0.00000 -0.73000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_27.PDB 5.89247 -6.81000 -0.88000 -5.04000 -5.33000 -0.96000 6.47000 -6.90000 0.53000 4.69000 1.70000 0.00000 0.00000 0.00000 0.12000 0.40000 0.00000 -0.61000 0.00000 -0.58000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_28.PDB 5.95315 -4.23000 -0.83000 -4.25000 -4.55000 -1.20000 7.00000 -5.50000 1.11000 3.56000 1.57000 0.00000 0.00000 0.00000 0.09000 0.26000 0.00000 -0.57000 0.00000 -0.66000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_29.PDB 6.25523 -5.66000 -0.83000 -2.43000 -4.93000 -1.40000 6.20000 -6.35000 0.31000 3.31000 1.52000 0.00000 0.00000 0.00000 0.12000 0.33000 0.00000 -0.35000 0.00000 -0.84000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-12_30.PDB 4.74966 -6.59000 -0.89000 -2.66000 -5.11000 -1.31000 5.94000 -6.57000 0.30000 3.97000 1.39000 0.00000 0.00000 0.00000 0.08000 0.42000 0.00000 -0.82000 0.00000 -0.91000 0.00000 2.38000 64.00000