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-8_1.PDB 4.00242 -4.25000 -0.39000 -0.33000 -7.17000 -0.07000 6.75000 -9.41000 0.64000 3.38000 2.46000 0.00000 0.00000 0.00000 0.16000 0.28000 0.00000 -0.16000 0.00000 -0.11000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_2.PDB 5.66550 -4.78000 -0.34000 -0.28000 -7.67000 -0.14000 6.89000 -10.09000 0.79000 3.67000 2.67000 0.00000 0.00000 0.00000 0.17000 0.30000 0.00000 -0.23000 0.00000 -0.21000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_3.PDB 6.15167 -4.09000 -0.31000 -0.25000 -7.70000 -0.08000 7.11000 -9.99000 0.55000 3.76000 2.65000 0.00000 0.00000 0.00000 0.44000 0.27000 0.00000 -0.14000 0.00000 -0.13000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_4.PDB 6.17642 -4.72000 -0.34000 -0.28000 -7.35000 -0.03000 6.62000 -9.65000 0.48000 3.41000 2.37000 0.00000 0.00000 0.00000 0.23000 0.24000 0.00000 -0.13000 0.00000 -0.06000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_5.PDB 5.87506 -4.11000 -0.38000 -0.32000 -7.39000 -0.16000 7.00000 -9.64000 0.71000 3.51000 2.74000 0.00000 0.00000 0.00000 0.18000 0.28000 0.00000 -0.10000 0.00000 -0.23000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_6.PDB 4.62091 -4.55000 -0.34000 -0.29000 -7.32000 -0.11000 6.78000 -9.57000 0.60000 3.40000 2.42000 0.00000 0.00000 0.00000 0.19000 0.23000 0.00000 -0.16000 0.00000 -0.16000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_7.PDB 4.62967 -4.64000 -0.33000 -0.28000 -7.47000 -0.18000 6.96000 -9.84000 0.63000 3.38000 2.57000 0.00000 0.00000 0.00000 0.21000 0.21000 0.00000 -0.04000 0.00000 -0.25000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_8.PDB 4.39555 -4.53000 -1.17000 -1.09000 -7.55000 -0.09000 7.53000 -9.77000 0.75000 4.36000 2.57000 0.00000 0.00000 0.00000 0.32000 0.26000 0.00000 -0.26000 0.00000 -0.13000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_9.PDB 6.52222 -4.47000 -0.39000 -0.33000 -7.32000 -0.14000 6.92000 -9.52000 0.66000 3.38000 2.32000 0.00000 0.00000 0.00000 0.24000 0.23000 0.00000 -0.11000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_10.PDB 6.25357 -4.43000 -0.38000 -0.29000 -7.91000 -0.08000 7.15000 -10.01000 0.72000 3.82000 2.77000 0.00000 0.00000 0.00000 0.18000 0.29000 0.00000 -0.28000 0.00000 -0.12000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_11.PDB 3.97662 -5.66000 -0.32000 -0.28000 -7.24000 -0.10000 5.83000 -9.89000 0.39000 3.42000 2.67000 0.00000 0.00000 0.00000 0.17000 0.17000 0.00000 -0.15000 0.00000 -0.15000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_12.PDB 6.86929 -3.67000 -0.34000 -0.28000 -7.68000 -0.16000 7.28000 -9.90000 0.87000 3.67000 2.84000 0.00000 0.00000 0.00000 0.45000 0.27000 0.00000 -0.17000 0.00000 -0.23000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_13.PDB 5.84481 -4.55000 -0.34000 -0.28000 -7.64000 -0.12000 6.82000 -9.79000 0.77000 3.63000 2.58000 0.00000 0.00000 0.00000 0.16000 0.29000 0.00000 -0.16000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_14.PDB 4.38948 -5.45000 -0.33000 -0.29000 -7.10000 -0.14000 5.86000 -9.60000 0.52000 3.20000 2.60000 0.00000 0.00000 0.00000 0.22000 0.16000 0.00000 -0.17000 0.00000 -0.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_15.PDB 6.33648 -4.70000 -0.34000 -0.29000 -7.13000 -0.21000 6.49000 -9.31000 0.76000 3.28000 2.43000 0.00000 0.00000 0.00000 0.17000 0.22000 0.00000 -0.25000 0.00000 -0.29000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_16.PDB 5.75697 -3.34000 -0.34000 -0.28000 -7.03000 -0.44000 7.46000 -8.64000 0.77000 3.48000 2.20000 0.00000 0.00000 0.00000 0.19000 0.30000 0.00000 -0.29000 0.00000 -0.42000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_17.PDB 6.03958 -3.11000 -0.33000 -0.28000 -7.43000 -0.03000 7.39000 -9.51000 0.67000 3.57000 2.67000 0.00000 0.00000 0.00000 0.26000 0.27000 0.00000 -0.05000 0.00000 -0.04000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_18.PDB 6.26942 -4.52000 -1.21000 -1.12000 -8.25000 -0.09000 7.84000 -10.32000 0.61000 4.94000 2.91000 0.00000 0.00000 0.00000 0.36000 0.27000 0.00000 -0.07000 0.00000 -0.12000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_19.PDB 3.83199 -5.23000 -0.28000 -0.26000 -7.22000 -0.13000 6.06000 -9.75000 0.44000 3.35000 2.58000 0.00000 0.00000 0.00000 0.32000 0.17000 0.00000 -0.15000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_20.PDB 3.94928 -4.16000 -0.33000 -0.28000 -7.17000 -0.15000 6.85000 -9.43000 0.54000 3.37000 2.59000 0.00000 0.00000 0.00000 0.18000 0.23000 0.00000 -0.10000 0.00000 -0.24000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_21.PDB 3.88859 -3.97000 -0.34000 -0.28000 -7.51000 -0.14000 7.13000 -9.61000 0.65000 3.50000 2.80000 0.00000 0.00000 0.00000 0.18000 0.28000 0.00000 -0.14000 0.00000 -0.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_22.PDB 4.14924 -5.08000 -0.41000 -0.36000 -6.77000 -0.09000 5.99000 -9.04000 0.42000 3.08000 2.26000 0.00000 0.00000 0.00000 0.19000 0.14000 0.00000 -0.20000 0.00000 -0.14000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_23.PDB 4.46084 -3.95000 -0.33000 -0.28000 -7.09000 -0.13000 6.54000 -9.33000 0.61000 3.32000 2.50000 0.00000 0.00000 0.00000 0.44000 0.19000 0.00000 -0.02000 0.00000 -0.19000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_24.PDB 5.83777 -4.10000 -0.38000 -0.32000 -7.22000 -0.13000 6.74000 -9.32000 0.72000 3.38000 2.57000 0.00000 0.00000 0.00000 0.15000 0.29000 0.00000 -0.09000 0.00000 -0.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_25.PDB 4.19062 -4.66000 -0.33000 -0.26000 -7.61000 -0.06000 6.72000 -9.76000 0.70000 3.65000 2.44000 0.00000 0.00000 0.00000 0.18000 0.25000 0.00000 -0.22000 0.00000 -0.11000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_26.PDB 4.19967 -5.03000 -0.38000 -0.36000 -6.61000 -0.16000 5.83000 -8.89000 0.27000 2.90000 2.62000 0.00000 0.00000 0.00000 0.16000 0.13000 0.00000 -0.19000 0.00000 -0.24000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_27.PDB 3.83785 -3.77000 -0.33000 -0.28000 -6.85000 -0.30000 6.98000 -8.56000 0.60000 3.13000 2.22000 0.00000 0.00000 0.00000 0.16000 0.25000 0.00000 -0.19000 0.00000 -0.34000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_28.PDB 3.91578 -5.72000 -0.32000 -0.28000 -6.99000 -0.16000 5.69000 -9.46000 0.41000 3.16000 2.40000 0.00000 0.00000 0.00000 0.18000 0.15000 0.00000 -0.12000 0.00000 -0.23000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_29.PDB 6.48337 -5.06000 -0.39000 -1.83000 -7.68000 -0.13000 7.09000 -9.66000 0.80000 4.51000 2.47000 0.00000 0.00000 0.00000 0.21000 0.26000 0.00000 -0.24000 0.00000 -0.20000 0.00000 2.38000 64.00000 BEM1-D1_JO8-QCF-8_30.PDB 6.76277 -4.61000 -0.34000 -0.28000 -7.38000 -0.21000 6.80000 -9.69000 0.47000 3.54000 2.75000 0.00000 0.00000 0.00000 0.17000 0.26000 0.00000 -0.13000 0.00000 -0.32000 0.00000 2.38000 64.00000