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-5_1.PDB 8.15020 -7.20000 -0.49000 -2.76000 -9.00000 -2.39000 10.69000 -11.42000 3.87000 4.53000 1.66000 0.00000 0.00000 0.00000 0.26000 1.43000 0.00000 -0.72000 0.00000 -1.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_2.PDB 8.32238 -4.79000 -0.17000 -2.46000 -8.96000 -2.47000 10.78000 -11.30000 5.28000 4.78000 1.57000 0.00000 0.00000 0.00000 0.30000 1.45000 0.00000 -0.61000 0.00000 -1.53000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_3.PDB 9.02382 -6.21000 -0.51000 -2.70000 -8.96000 -2.48000 10.67000 -11.38000 4.85000 4.59000 1.64000 0.00000 0.00000 0.00000 0.38000 1.47000 0.00000 -0.75000 0.00000 -1.55000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_4.PDB 6.31300 -4.50000 -0.61000 -2.96000 -9.45000 -2.33000 11.02000 -12.02000 7.29000 4.57000 1.70000 0.00000 0.00000 0.00000 0.34000 1.49000 0.00000 -0.62000 0.00000 -1.42000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_5.PDB 5.80190 -7.11000 -0.10000 -3.40000 -8.74000 -2.73000 10.78000 -11.01000 3.19000 5.39000 1.57000 0.00000 0.00000 0.00000 0.14000 1.26000 0.00000 -0.60000 0.00000 -1.61000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_6.PDB 7.83301 -5.35000 -0.42000 -4.38000 -9.14000 -2.31000 10.75000 -11.55000 5.81000 5.69000 1.64000 0.00000 0.00000 0.00000 0.36000 1.40000 0.00000 -0.37000 0.00000 -1.44000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_7.PDB 7.83536 -5.78000 -0.46000 -2.81000 -8.91000 -2.24000 10.50000 -11.28000 5.10000 4.75000 1.37000 0.00000 0.00000 0.00000 0.31000 1.42000 0.00000 -0.69000 0.00000 -1.42000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_8.PDB 6.26538 -3.52000 -0.59000 -2.84000 -9.17000 -2.39000 11.18000 -11.26000 7.08000 4.57000 1.65000 0.00000 0.00000 0.00000 0.33000 1.45000 0.00000 -0.56000 0.00000 -1.51000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_9.PDB 8.36696 -5.74000 -0.45000 -2.49000 -8.92000 -2.37000 10.98000 -11.21000 4.11000 4.73000 1.78000 0.00000 0.00000 0.00000 0.33000 1.45000 0.00000 -0.73000 0.00000 -1.50000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_10.PDB 7.29100 -6.30000 -0.31000 -2.81000 -9.07000 -2.45000 10.86000 -11.52000 4.73000 5.12000 1.46000 0.00000 0.00000 0.00000 0.29000 1.43000 0.00000 -1.04000 0.00000 -1.55000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_11.PDB 8.21434 -6.69000 -0.44000 -2.82000 -8.80000 -2.50000 11.02000 -10.89000 3.61000 4.73000 1.63000 0.00000 0.00000 0.00000 0.30000 1.39000 0.00000 -0.90000 0.00000 -1.62000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_12.PDB 5.88193 -5.41000 -0.63000 -3.22000 -9.43000 -2.26000 11.06000 -11.93000 6.49000 4.90000 1.55000 0.00000 0.00000 0.00000 0.36000 1.42000 0.00000 -0.89000 0.00000 -1.42000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_13.PDB 8.41393 -6.75000 -0.44000 -2.78000 -8.83000 -2.36000 10.65000 -11.10000 3.81000 4.67000 1.92000 0.00000 0.00000 0.00000 0.33000 1.47000 0.00000 -1.09000 0.00000 -1.54000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_14.PDB 5.52536 -7.56000 -0.10000 -3.18000 -8.49000 -2.85000 10.74000 -10.42000 2.52000 4.98000 1.51000 0.00000 0.00000 0.00000 0.14000 1.20000 0.00000 -0.77000 0.00000 -1.64000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_15.PDB 6.36825 -4.81000 -0.10000 -3.14000 -9.06000 -2.46000 10.72000 -11.45000 5.39000 5.77000 1.95000 0.00000 0.00000 0.00000 0.20000 1.17000 0.00000 -1.12000 0.00000 -1.52000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_16.PDB 7.99291 -5.96000 -0.47000 -2.65000 -9.07000 -2.48000 11.22000 -11.41000 4.43000 4.67000 1.87000 0.00000 0.00000 0.00000 0.32000 1.54000 0.00000 -0.84000 0.00000 -1.56000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_17.PDB 5.83847 -7.34000 -0.10000 -3.23000 -8.55000 -2.80000 10.71000 -10.45000 2.91000 4.98000 1.49000 0.00000 0.00000 0.00000 0.18000 1.30000 0.00000 -0.90000 0.00000 -1.57000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_18.PDB 5.38431 -8.72000 -0.10000 -3.27000 -8.80000 -2.91000 11.17000 -10.84000 1.32000 5.48000 1.62000 0.00000 0.00000 0.00000 0.18000 1.11000 0.00000 -0.81000 0.00000 -1.75000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_19.PDB 8.28738 -6.03000 -1.03000 -3.23000 -9.68000 -2.40000 11.84000 -12.07000 5.39000 4.96000 1.96000 0.00000 0.00000 0.00000 0.30000 1.58000 0.00000 -0.74000 0.00000 -1.35000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_20.PDB 8.94392 -2.37000 -0.17000 -2.56000 -9.40000 -2.09000 11.08000 -11.75000 7.51000 5.20000 1.70000 0.00000 0.00000 0.00000 0.32000 1.34000 0.00000 -0.83000 0.00000 -1.36000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_21.PDB 8.90144 -6.95000 -1.26000 -3.42000 -9.51000 -2.31000 11.46000 -11.89000 5.02000 4.98000 1.97000 0.00000 0.00000 0.00000 0.30000 1.48000 0.00000 -0.91000 0.00000 -1.37000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_22.PDB 8.30070 -3.51000 -0.51000 -2.93000 -9.65000 -2.20000 11.26000 -12.07000 6.85000 4.79000 2.17000 0.00000 0.00000 0.00000 0.33000 1.58000 0.00000 -0.29000 0.00000 -1.27000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_23.PDB 7.71787 -5.45000 -0.47000 -3.07000 -9.12000 -2.53000 11.30000 -11.26000 5.19000 4.88000 1.69000 0.00000 0.00000 0.00000 0.29000 1.41000 0.00000 -0.76000 0.00000 -1.59000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_24.PDB 9.04291 -7.96000 -0.97000 -3.45000 -9.00000 -2.61000 11.27000 -11.25000 4.58000 4.82000 0.93000 0.00000 0.00000 0.00000 0.31000 1.55000 0.00000 -0.83000 0.00000 -1.75000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_25.PDB 6.68211 -2.77000 -0.57000 -2.58000 -9.11000 -2.22000 11.04000 -11.29000 7.20000 4.84000 1.61000 0.00000 0.00000 0.00000 0.38000 1.45000 0.00000 -0.66000 0.00000 -1.41000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_26.PDB 8.81106 -9.44000 -1.77000 -6.64000 -9.62000 -2.45000 12.14000 -12.02000 4.84000 5.81000 2.24000 0.00000 0.00000 0.00000 0.31000 1.57000 0.00000 -0.79000 0.00000 -1.47000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_27.PDB 8.94819 -6.29000 -1.31000 -3.63000 -9.50000 -2.19000 11.72000 -11.84000 5.10000 5.16000 1.88000 0.00000 0.00000 0.00000 0.32000 1.52000 0.00000 -0.65000 0.00000 -1.34000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_28.PDB 8.53822 -4.82000 -0.22000 -2.62000 -9.97000 -2.21000 11.44000 -12.45000 5.47000 4.83000 2.42000 0.00000 0.00000 0.00000 0.34000 1.77000 0.00000 -0.64000 0.00000 -1.21000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_29.PDB 7.99528 -5.92000 -0.93000 -3.45000 -9.25000 -2.26000 9.91000 -12.51000 6.97000 5.76000 1.73000 0.00000 0.00000 0.00000 0.19000 1.45000 0.00000 -0.57000 0.00000 -1.49000 0.00000 2.38000 66.00000 BEM1-D1_JO8-QCF-5_30.PDB 6.42841 12.22000 -0.72000 -3.07000 -11.21000 -2.09000 13.19000 -14.30000 23.53000 5.37000 2.83000 0.00000 0.00000 0.00000 0.52000 1.52000 0.00000 -0.62000 0.00000 -1.23000 0.00000 2.38000 66.00000