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-7_1.PDB 4.50267 -6.98000 -0.59000 -3.86000 -6.53000 -1.29000 6.99000 -8.16000 0.27000 5.22000 2.08000 0.00000 0.00000 0.00000 0.02000 0.15000 0.00000 -0.49000 0.00000 -0.65000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_2.PDB 4.03188 -6.95000 -0.67000 -4.07000 -6.90000 -1.26000 7.80000 -8.34000 0.41000 5.23000 2.06000 0.00000 0.00000 0.00000 0.03000 0.18000 0.00000 -0.63000 0.00000 -0.60000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_3.PDB 4.18002 -6.29000 -0.67000 -4.10000 -6.02000 -1.21000 7.28000 -7.31000 0.34000 4.75000 1.78000 0.00000 0.00000 0.00000 0.01000 0.13000 0.00000 -0.45000 0.00000 -0.69000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_4.PDB 4.10571 -6.56000 -0.67000 -3.32000 -6.39000 -1.30000 6.76000 -8.03000 0.33000 4.87000 2.08000 0.00000 0.00000 0.00000 0.01000 0.28000 0.00000 -0.18000 0.00000 -0.73000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_5.PDB 4.38814 -7.39000 -0.67000 -4.17000 -6.59000 -1.38000 7.27000 -8.12000 0.30000 4.99000 1.92000 0.00000 0.00000 0.00000 0.02000 0.20000 0.00000 -0.29000 0.00000 -0.67000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_6.PDB 4.10881 -6.42000 -0.66000 -4.12000 -5.84000 -1.42000 7.05000 -7.02000 0.36000 4.64000 1.74000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.37000 0.00000 -0.80000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_7.PDB 4.61152 -6.17000 -0.68000 -3.76000 -6.45000 -2.03000 7.43000 -7.32000 0.37000 5.71000 1.97000 0.00000 0.00000 0.00000 0.02000 0.19000 0.00000 -0.39000 0.00000 -1.04000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_8.PDB 3.38872 -6.85000 -0.62000 -2.27000 -6.68000 0.00000 5.71000 -9.36000 0.20000 4.34000 2.22000 0.00000 0.00000 0.00000 0.00000 0.22000 0.00000 -0.30000 0.00000 -0.08000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_9.PDB 3.32738 -6.26000 -0.62000 -0.57000 -6.48000 0.07000 5.49000 -9.00000 0.21000 2.98000 1.90000 0.00000 0.00000 0.00000 0.00000 0.16000 0.00000 -0.30000 0.00000 0.06000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_10.PDB 4.47276 -7.38000 -0.67000 -4.06000 -6.48000 -1.26000 6.96000 -8.12000 0.24000 5.11000 2.05000 0.00000 0.00000 0.00000 0.02000 0.12000 0.00000 -0.52000 0.00000 -0.67000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_11.PDB 5.38194 -5.97000 -0.72000 -3.87000 -6.40000 -1.99000 7.77000 -7.11000 0.32000 5.39000 1.78000 0.00000 0.00000 0.00000 0.04000 0.17000 0.00000 -0.26000 0.00000 -0.93000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_12.PDB 3.75669 -6.51000 -0.64000 -2.22000 -5.76000 -0.01000 5.02000 -8.05000 0.22000 3.53000 1.71000 0.00000 0.00000 0.00000 0.01000 0.06000 0.00000 -0.29000 0.00000 -0.03000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_13.PDB 4.36625 -6.70000 -0.66000 -4.19000 -6.85000 -2.10000 8.37000 -7.62000 0.26000 5.36000 1.98000 0.00000 0.00000 0.00000 0.03000 0.27000 0.00000 -0.20000 0.00000 -1.08000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_14.PDB 4.67769 -4.83000 -0.69000 -2.49000 -5.58000 -1.42000 6.35000 -6.57000 0.46000 4.00000 2.06000 0.00000 0.00000 0.00000 0.01000 0.29000 0.00000 -0.15000 0.00000 -0.82000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_15.PDB 3.48269 -7.32000 -0.67000 -2.32000 -6.55000 -0.11000 5.43000 -9.18000 0.18000 4.24000 2.11000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.31000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_16.PDB 4.96682 -6.89000 -0.68000 -4.13000 -6.37000 -1.19000 7.12000 -7.83000 0.27000 5.06000 1.83000 0.00000 0.00000 0.00000 0.01000 0.07000 0.00000 -0.38000 0.00000 -0.59000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_17.PDB 3.86125 -6.22000 -0.67000 -2.34000 -6.67000 0.03000 6.25000 -9.07000 0.25000 4.17000 2.01000 0.00000 0.00000 0.00000 0.00000 0.20000 0.00000 -0.13000 0.00000 -0.05000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_18.PDB 5.15167 -5.89000 -0.64000 -3.27000 -5.57000 -1.36000 6.49000 -6.45000 0.35000 4.38000 1.49000 0.00000 0.00000 0.00000 0.01000 0.12000 0.00000 -0.44000 0.00000 -0.89000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_19.PDB 4.81399 -7.09000 -0.70000 -4.09000 -6.56000 -1.18000 7.49000 -8.00000 0.27000 5.15000 1.90000 0.00000 0.00000 0.00000 0.03000 0.18000 0.00000 -0.84000 0.00000 -0.57000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_20.PDB 4.42685 -7.57000 -0.64000 -4.06000 -6.79000 -1.43000 7.22000 -8.47000 0.47000 5.16000 2.07000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.38000 0.00000 -0.76000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_21.PDB 3.38076 -7.18000 -0.65000 -2.31000 -6.69000 -0.10000 5.83000 -9.26000 0.19000 4.11000 2.06000 0.00000 0.00000 0.00000 0.01000 0.22000 0.00000 -0.22000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_22.PDB 4.38660 -6.19000 -0.65000 -4.20000 -5.99000 -2.18000 7.77000 -6.51000 0.26000 4.99000 1.64000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.20000 0.00000 -1.18000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_23.PDB 4.80584 -7.12000 -0.61000 -4.12000 -6.64000 -1.15000 7.45000 -8.18000 0.30000 4.91000 1.96000 0.00000 0.00000 0.00000 0.03000 0.22000 0.00000 -0.53000 0.00000 -0.53000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_24.PDB 3.83281 -7.12000 -0.59000 -3.96000 -6.66000 -1.30000 7.10000 -8.32000 0.28000 5.32000 2.10000 0.00000 0.00000 0.00000 0.02000 0.20000 0.00000 -0.43000 0.00000 -0.67000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_25.PDB 4.50556 -6.97000 -0.67000 -3.98000 -6.48000 -1.43000 6.97000 -8.02000 0.58000 5.12000 2.06000 0.00000 0.00000 0.00000 0.01000 0.29000 0.00000 -0.42000 0.00000 -0.72000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_26.PDB 4.80610 -7.86000 -0.67000 -2.46000 -6.77000 -1.32000 6.73000 -8.70000 0.33000 4.18000 1.85000 0.00000 0.00000 0.00000 0.01000 0.22000 0.00000 -0.44000 0.00000 -0.61000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_27.PDB 5.37720 -6.69000 -0.69000 -4.17000 -5.73000 -1.43000 6.81000 -6.92000 0.29000 4.70000 1.66000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.42000 0.00000 -0.78000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_28.PDB 3.60832 -6.84000 -0.65000 -3.23000 -5.95000 -1.09000 6.14000 -7.53000 0.26000 4.72000 1.86000 0.00000 0.00000 0.00000 0.00000 0.10000 0.00000 -0.75000 0.00000 -0.60000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_29.PDB 3.75445 -8.00000 -0.74000 -5.04000 -6.39000 -1.60000 7.30000 -7.77000 0.32000 5.04000 1.95000 0.00000 0.00000 0.00000 0.00000 0.27000 0.00000 -0.32000 0.00000 -0.75000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-7_30.PDB 4.20397 -7.05000 -0.65000 -4.20000 -6.31000 -1.30000 7.00000 -7.74000 0.35000 5.01000 1.90000 0.00000 0.00000 0.00000 0.02000 0.09000 0.00000 -0.45000 0.00000 -0.68000 0.00000 2.38000 64.00000