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 CYK3_1QCF-21_1.PDB 5.20835 -9.15000 -1.07000 -2.09000 -6.33000 -0.02000 4.45000 -8.73000 0.95000 3.14000 0.78000 0.00000 0.00000 0.00000 0.12000 0.79000 0.00000 -0.26000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_2.PDB 5.92698 -8.98000 -1.04000 -2.03000 -6.22000 -0.02000 4.39000 -8.58000 0.91000 3.05000 0.79000 0.00000 0.00000 0.00000 0.10000 0.66000 0.00000 -0.26000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_3.PDB 5.15050 -9.04000 -1.05000 -2.08000 -6.30000 -0.01000 4.43000 -8.65000 0.90000 3.15000 0.79000 0.00000 0.00000 0.00000 0.11000 0.81000 0.00000 -0.25000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_4.PDB 5.25135 -9.10000 -1.04000 -2.09000 -6.36000 -0.02000 4.47000 -8.79000 0.86000 3.22000 0.76000 0.00000 0.00000 0.00000 0.11000 0.68000 0.00000 -0.15000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_5.PDB 5.48754 -9.03000 -1.04000 -2.09000 -6.32000 -0.01000 4.46000 -8.72000 0.90000 3.18000 0.77000 0.00000 0.00000 0.00000 0.13000 0.71000 0.00000 -0.21000 0.00000 -0.06000 0.00000 2.38000 67.00000 CYK3_1QCF-21_6.PDB 4.40828 -9.56000 -1.05000 -3.12000 -6.70000 -0.03000 4.68000 -9.10000 1.00000 4.08000 0.92000 0.00000 0.00000 0.00000 0.13000 0.71000 0.00000 -0.27000 0.00000 -0.09000 0.00000 2.38000 67.00000 CYK3_1QCF-21_7.PDB 6.70817 -8.39000 -1.04000 -2.09000 -6.30000 -0.02000 4.38000 -8.96000 2.13000 2.83000 0.78000 0.00000 0.00000 0.00000 0.24000 0.71000 0.00000 -0.25000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_8.PDB 6.82272 -8.77000 -1.04000 -2.02000 -6.12000 -0.02000 4.40000 -8.61000 1.37000 2.72000 0.71000 0.00000 0.00000 0.00000 0.16000 0.73000 0.00000 -0.26000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_9.PDB 4.85993 -8.81000 -0.72000 -0.49000 -5.78000 -0.02000 3.01000 -8.77000 0.76000 2.83000 0.45000 0.00000 0.00000 0.00000 0.48000 0.85000 0.00000 -0.49000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_10.PDB 7.04147 -8.96000 -1.04000 -2.08000 -6.26000 -0.02000 4.46000 -8.80000 1.35000 2.85000 0.71000 0.00000 0.00000 0.00000 0.18000 0.75000 0.00000 -0.23000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_11.PDB 5.61312 -8.04000 -0.67000 -0.48000 -6.22000 -0.14000 4.10000 -8.93000 0.77000 2.86000 0.68000 0.00000 0.00000 0.00000 0.72000 0.83000 0.00000 -0.60000 0.00000 -0.12000 0.00000 2.38000 67.00000 CYK3_1QCF-21_12.PDB 6.05335 -8.68000 -0.68000 -0.48000 -5.27000 -0.01000 2.58000 -8.08000 0.81000 2.37000 0.38000 0.00000 0.00000 0.00000 0.37000 0.62000 0.00000 -0.61000 0.00000 -0.06000 0.00000 2.38000 67.00000 CYK3_1QCF-21_13.PDB 5.43584 -7.83000 -0.61000 -0.49000 -6.02000 -0.15000 4.01000 -8.63000 0.60000 2.85000 0.67000 0.00000 0.00000 0.00000 0.67000 0.71000 0.00000 -0.60000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-21_14.PDB 5.41990 -7.50000 -0.61000 -0.47000 -5.83000 -0.18000 3.91000 -8.39000 0.79000 2.68000 0.68000 0.00000 0.00000 0.00000 0.67000 0.69000 0.00000 -0.60000 0.00000 -0.14000 0.00000 2.38000 67.00000 CYK3_1QCF-21_15.PDB 5.82425 -7.90000 -0.66000 -0.48000 -6.01000 -0.18000 3.99000 -8.63000 0.73000 2.74000 0.69000 0.00000 0.00000 0.00000 0.68000 0.76000 0.00000 -0.61000 0.00000 -0.14000 0.00000 2.38000 67.00000 CYK3_1QCF-21_16.PDB 4.98193 -8.68000 -0.68000 -0.50000 -5.79000 -0.02000 3.14000 -8.79000 0.70000 2.83000 0.47000 0.00000 0.00000 0.00000 0.53000 0.64000 0.00000 -0.49000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_17.PDB 6.74144 -8.82000 -1.02000 -2.06000 -6.23000 -0.05000 4.45000 -8.56000 0.89000 3.10000 0.85000 0.00000 0.00000 0.00000 0.13000 0.74000 0.00000 -0.25000 0.00000 -0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-21_18.PDB 5.89212 -7.95000 -0.63000 -0.48000 -6.10000 -0.15000 4.03000 -8.75000 0.69000 2.81000 0.68000 0.00000 0.00000 0.00000 0.69000 0.69000 0.00000 -0.61000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-21_19.PDB 7.45358 -8.82000 -1.04000 -2.03000 -6.26000 -0.05000 4.39000 -8.65000 0.91000 3.13000 0.86000 0.00000 0.00000 0.00000 0.12000 0.72000 0.00000 -0.13000 0.00000 -0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-21_20.PDB 5.23290 -8.49000 -0.74000 -0.48000 -5.86000 -0.05000 3.08000 -8.57000 0.68000 3.11000 0.55000 0.00000 0.00000 0.00000 0.12000 1.03000 0.00000 -0.25000 0.00000 -0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-21_21.PDB 6.74379 -8.71000 -1.04000 -2.07000 -6.32000 -0.02000 4.49000 -8.67000 0.94000 3.20000 0.85000 0.00000 0.00000 0.00000 0.14000 0.84000 0.00000 -0.14000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_22.PDB 5.89931 -7.76000 -0.64000 -0.48000 -5.95000 -0.18000 4.00000 -8.54000 0.60000 2.67000 0.67000 0.00000 0.00000 0.00000 0.71000 0.69000 0.00000 -0.48000 0.00000 -0.14000 0.00000 2.38000 67.00000 CYK3_1QCF-21_23.PDB 6.78227 -8.69000 -1.01000 -2.05000 -6.28000 -0.04000 4.49000 -8.59000 0.96000 3.14000 0.87000 0.00000 0.00000 0.00000 0.14000 0.79000 0.00000 -0.26000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_24.PDB 5.66512 -9.34000 -1.03000 -3.06000 -6.70000 -0.03000 4.69000 -9.10000 1.01000 4.04000 0.99000 0.00000 0.00000 0.00000 0.14000 0.78000 0.00000 -0.21000 0.00000 -0.09000 0.00000 2.38000 67.00000 CYK3_1QCF-21_25.PDB 6.68585 -8.65000 -1.04000 -2.07000 -6.29000 -0.05000 4.56000 -8.58000 0.95000 3.18000 0.90000 0.00000 0.00000 0.00000 0.14000 0.80000 0.00000 -0.27000 0.00000 -0.09000 0.00000 2.38000 67.00000 CYK3_1QCF-21_26.PDB 6.86729 -8.53000 -1.04000 -2.07000 -6.34000 -0.02000 4.54000 -8.69000 1.30000 3.13000 0.88000 0.00000 0.00000 0.00000 0.14000 0.77000 0.00000 -0.27000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_27.PDB 7.26480 -8.99000 -1.07000 -2.04000 -6.33000 -0.02000 4.44000 -8.73000 0.97000 3.14000 0.85000 0.00000 0.00000 0.00000 0.12000 0.85000 0.00000 -0.24000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_28.PDB 6.85909 -9.09000 -1.06000 -2.10000 -6.41000 -0.05000 4.46000 -8.84000 0.96000 3.25000 0.88000 0.00000 0.00000 0.00000 0.15000 0.77000 0.00000 -0.25000 0.00000 -0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-21_29.PDB 6.87339 -9.00000 -1.02000 -2.09000 -6.35000 -0.02000 4.42000 -8.75000 0.93000 3.17000 0.87000 0.00000 0.00000 0.00000 0.14000 0.75000 0.00000 -0.24000 0.00000 -0.07000 0.00000 2.38000 67.00000 CYK3_1QCF-21_30.PDB 5.21815 -7.87000 -0.98000 -2.07000 -5.57000 -0.04000 4.31000 -7.71000 0.71000 3.00000 0.78000 0.00000 0.00000 0.00000 0.10000 0.36000 0.00000 -0.28000 0.00000 -0.12000 0.00000 2.38000 67.00000