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-29_1.PDB 3.97075 -12.53000 -0.82000 -0.76000 -9.36000 -0.05000 5.60000 -13.39000 0.46000 4.20000 1.88000 0.00000 0.00000 0.00000 0.05000 0.59000 0.00000 -0.30000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-29_2.PDB 4.09637 -12.20000 -0.78000 -0.85000 -9.73000 -0.02000 6.18000 -13.54000 0.57000 4.33000 1.88000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.32000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-29_3.PDB 3.42755 -11.69000 -0.82000 -0.67000 -8.80000 -0.05000 5.42000 -12.62000 0.61000 3.67000 1.95000 0.00000 0.00000 0.00000 0.03000 0.59000 0.00000 -0.38000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-29_4.PDB 3.59172 -11.81000 -0.81000 -0.74000 -9.33000 -0.08000 5.71000 -13.16000 0.69000 4.22000 1.94000 0.00000 0.00000 0.00000 0.02000 0.58000 0.00000 -0.20000 0.00000 -0.06000 0.00000 2.38000 67.00000 CYK3_1QCF-29_5.PDB 3.68915 -11.27000 -0.79000 -0.74000 -9.29000 -0.08000 5.77000 -13.14000 0.99000 4.25000 1.94000 0.00000 0.00000 0.00000 0.06000 0.68000 0.00000 -0.18000 0.00000 -0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-29_6.PDB 3.94182 -12.17000 -0.82000 -0.78000 -9.35000 -0.02000 5.62000 -13.36000 0.58000 4.14000 1.94000 0.00000 0.00000 0.00000 0.06000 0.74000 0.00000 -0.21000 0.00000 0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-29_7.PDB 4.78033 -11.53000 -0.88000 -0.77000 -9.88000 -0.04000 6.37000 -13.90000 0.62000 4.78000 2.23000 0.00000 0.00000 0.00000 0.08000 0.88000 0.00000 -0.14000 0.00000 -0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-29_8.PDB 4.13307 -12.29000 -0.82000 -0.81000 -9.55000 -0.15000 5.79000 -13.53000 0.77000 4.53000 1.73000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.16000 0.00000 -0.14000 0.00000 2.38000 67.00000 CYK3_1QCF-29_9.PDB 3.43472 -12.11000 -0.74000 -0.66000 -9.21000 -0.01000 5.91000 -13.00000 0.64000 3.71000 1.66000 0.00000 0.00000 0.00000 0.04000 0.60000 0.00000 -0.42000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-29_10.PDB 3.71413 -12.29000 -0.83000 -0.84000 -9.32000 -0.01000 5.78000 -13.23000 0.34000 4.33000 1.75000 0.00000 0.00000 0.00000 0.04000 0.57000 0.00000 -0.32000 0.00000 0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-29_11.PDB 4.48164 -11.14000 -0.87000 -0.75000 -9.79000 -0.04000 6.26000 -13.74000 0.70000 4.75000 2.38000 0.00000 0.00000 0.00000 0.18000 0.87000 0.00000 -0.18000 0.00000 -0.04000 0.00000 2.38000 67.00000 CYK3_1QCF-29_12.PDB 4.65830 -11.34000 -0.81000 -0.77000 -9.28000 -0.02000 5.73000 -13.15000 0.58000 4.19000 2.51000 0.00000 0.00000 0.00000 0.07000 0.66000 0.00000 -0.40000 0.00000 0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-29_13.PDB 3.73844 -11.77000 -0.80000 -0.70000 -9.23000 -0.03000 5.65000 -13.05000 0.66000 4.03000 1.91000 0.00000 0.00000 0.00000 0.01000 0.57000 0.00000 -0.19000 0.00000 -0.04000 0.00000 2.38000 67.00000 CYK3_1QCF-29_14.PDB 4.73900 -11.30000 -0.85000 -0.74000 -9.88000 0.06000 6.29000 -13.88000 0.74000 4.95000 2.07000 0.00000 0.00000 0.00000 0.11000 0.94000 0.00000 -0.24000 0.00000 0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-29_15.PDB 3.60772 -11.46000 -0.77000 -0.77000 -9.56000 -0.02000 6.10000 -13.33000 0.70000 4.14000 2.37000 0.00000 0.00000 0.00000 0.04000 0.65000 0.00000 -0.38000 0.00000 -0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-29_16.PDB 3.50823 -11.01000 -0.80000 -0.74000 -9.85000 -0.06000 5.81000 -14.05000 2.36000 4.60000 1.97000 0.00000 0.00000 0.00000 0.05000 0.95000 0.00000 -0.28000 0.00000 -0.02000 0.00000 2.38000 67.00000 CYK3_1QCF-29_17.PDB 4.18649 -12.20000 -0.82000 -0.77000 -9.61000 -0.02000 5.76000 -13.63000 0.64000 4.41000 1.91000 0.00000 0.00000 0.00000 0.06000 0.79000 0.00000 -0.15000 0.00000 0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-29_18.PDB 3.69186 -11.82000 -0.85000 -0.81000 -9.68000 -0.05000 6.19000 -13.64000 0.55000 4.60000 2.11000 0.00000 0.00000 0.00000 0.08000 0.72000 0.00000 -0.31000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-29_19.PDB 4.59870 -11.88000 -0.88000 -0.82000 -9.83000 -0.06000 6.23000 -13.88000 0.48000 4.73000 2.16000 0.00000 0.00000 0.00000 0.14000 0.78000 0.00000 -0.11000 0.00000 -0.04000 0.00000 2.38000 67.00000 CYK3_1QCF-29_20.PDB 3.83062 -11.42000 -0.83000 -0.77000 -9.60000 -0.02000 6.13000 -13.52000 0.62000 4.54000 2.11000 0.00000 0.00000 0.00000 0.07000 0.72000 0.00000 -0.19000 0.00000 0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-29_21.PDB 3.61552 -11.77000 -0.85000 -0.83000 -9.51000 -0.02000 5.87000 -13.44000 1.15000 4.34000 1.65000 0.00000 0.00000 0.00000 0.05000 0.67000 0.00000 -0.19000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-29_22.PDB 3.59587 -11.96000 -0.79000 -0.76000 -9.58000 -0.05000 6.12000 -13.35000 0.79000 4.12000 1.80000 0.00000 0.00000 0.00000 0.04000 0.63000 0.00000 -0.31000 0.00000 0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-29_23.PDB 4.04699 -11.27000 -0.81000 -0.76000 -9.70000 0.04000 6.35000 -13.71000 0.63000 4.64000 2.08000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -0.18000 0.00000 0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-29_24.PDB 3.92862 -11.49000 -0.84000 -0.79000 -9.74000 -0.03000 6.42000 -13.60000 0.66000 4.58000 1.99000 0.00000 0.00000 0.00000 0.07000 0.80000 0.00000 -0.18000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-29_25.PDB 4.04830 -11.11000 -0.82000 -0.75000 -9.71000 0.03000 6.35000 -13.60000 0.74000 4.51000 2.15000 0.00000 0.00000 0.00000 0.07000 0.77000 0.00000 -0.18000 0.00000 0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-29_26.PDB 3.49990 -11.68000 -0.81000 -0.83000 -9.56000 -0.02000 5.89000 -13.55000 1.08000 4.43000 1.87000 0.00000 0.00000 0.00000 0.03000 0.64000 0.00000 -0.21000 0.00000 -0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-29_27.PDB 4.70047 -12.07000 -0.82000 -0.76000 -10.01000 -0.01000 6.53000 -14.01000 0.35000 4.94000 1.86000 0.00000 0.00000 0.00000 0.09000 0.90000 0.00000 -0.25000 0.00000 0.02000 0.00000 2.38000 67.00000 CYK3_1QCF-29_28.PDB 3.82879 -11.48000 -0.81000 -0.76000 -9.56000 -0.08000 6.24000 -13.40000 0.58000 4.48000 2.11000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -0.30000 0.00000 -0.04000 0.00000 2.38000 67.00000 CYK3_1QCF-29_29.PDB 3.94788 -12.46000 -0.74000 -0.81000 -9.18000 -0.04000 5.74000 -12.95000 0.50000 4.05000 1.21000 0.00000 0.00000 0.00000 0.07000 0.57000 0.00000 -0.32000 0.00000 0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-29_30.PDB 3.96633 -11.09000 -0.83000 -0.77000 -9.63000 -0.07000 6.23000 -13.55000 0.70000 4.53000 2.56000 0.00000 0.00000 0.00000 0.08000 0.85000 0.00000 -0.29000 0.00000 -0.04000 0.00000 2.38000 67.00000