name total energy Backbone Hbon 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-23_1.PDB 13.44000 -39.22000 -10.78000 -65.22000 -2.94000 80.71000 -84.42000 7.86000 32.12000 92.29000 0.00000 0.00000 0.00000 5.21000 22.09000 0.00000 -1.72000 0.00000 -0.46000 0.00000 0.00000 64.00000 CYK3_1QCF-23_2.PDB 13.70000 -39.88000 -12.92000 -65.17000 -2.34000 80.24000 -84.26000 7.98000 33.46000 93.28000 0.00000 0.00000 0.00000 5.20000 21.94000 0.00000 -1.64000 0.00000 -0.25000 0.00000 0.00000 64.00000 CYK3_1QCF-23_3.PDB 13.87000 -39.10000 -12.52000 -64.74000 -2.20000 79.86000 -83.83000 7.84000 33.08000 92.74000 0.00000 0.00000 0.00000 4.75000 21.89000 0.00000 -1.65000 0.00000 -0.35000 0.00000 0.00000 64.00000 CYK3_1QCF-23_4.PDB 13.91000 -39.15000 -10.87000 -64.41000 -3.20000 80.27000 -83.13000 8.08000 32.08000 91.64000 0.00000 0.00000 0.00000 4.75000 22.05000 0.00000 -1.69000 0.00000 -0.46000 0.00000 0.00000 64.00000 CYK3_1QCF-23_5.PDB 15.24000 -39.16000 -10.72000 -64.43000 -2.30000 79.68000 -83.52000 7.54000 31.81000 92.96000 0.00000 0.00000 0.00000 5.32000 21.79000 0.00000 -1.68000 0.00000 -0.25000 0.00000 0.00000 64.00000 CYK3_1QCF-23_6.PDB 14.18000 -38.32000 -10.14000 -63.83000 -2.44000 78.61000 -82.57000 7.37000 30.79000 91.69000 0.00000 0.00000 0.00000 5.08000 21.85000 0.00000 -1.71000 0.00000 -0.36000 0.00000 0.00000 64.00000 CYK3_1QCF-23_7.PDB 14.24000 -38.31000 -10.04000 -63.52000 -2.49000 78.26000 -82.29000 7.51000 30.55000 91.75000 0.00000 0.00000 0.00000 4.94000 21.86000 0.00000 -1.74000 0.00000 -0.38000 0.00000 0.00000 64.00000 CYK3_1QCF-23_8.PDB 14.68000 -39.16000 -10.84000 -64.87000 -2.93000 80.75000 -83.80000 8.15000 31.89000 92.85000 0.00000 0.00000 0.00000 4.83000 22.06000 0.00000 -1.72000 0.00000 -0.46000 0.00000 0.00000 64.00000 CYK3_1QCF-23_9.PDB 13.96000 -39.95000 -11.58000 -64.64000 -3.27000 80.74000 -83.18000 7.69000 33.02000 92.35000 0.00000 0.00000 0.00000 4.96000 22.13000 0.00000 -1.68000 0.00000 -0.49000 0.00000 0.00000 64.00000 CYK3_1QCF-23_10.PDB 14.36000 -40.05000 -11.85000 -64.97000 -3.03000 81.96000 -83.67000 7.58000 33.01000 92.56000 0.00000 0.00000 0.00000 5.10000 22.22000 0.00000 -1.91000 0.00000 -0.36000 0.00000 0.00000 64.00000 CYK3_1QCF-23_11.PDB 13.62000 -39.81000 -13.13000 -64.54000 -2.42000 79.29000 -83.32000 8.03000 33.55000 92.78000 0.00000 0.00000 0.00000 5.37000 21.95000 0.00000 -1.85000 0.00000 -0.33000 0.00000 0.00000 64.00000 CYK3_1QCF-23_12.PDB 14.50000 -40.10000 -11.81000 -65.83000 -3.06000 82.35000 -84.68000 8.61000 32.89000 93.65000 0.00000 0.00000 0.00000 4.76000 22.29000 0.00000 -1.97000 0.00000 -0.30000 0.00000 0.00000 64.00000 CYK3_1QCF-23_13.PDB 14.64000 -40.01000 -11.68000 -64.41000 -3.03000 80.26000 -83.01000 8.50000 32.47000 92.62000 0.00000 0.00000 0.00000 5.11000 22.15000 0.00000 -1.69000 0.00000 -0.49000 0.00000 0.00000 64.00000 CYK3_1QCF-23_14.PDB 14.39000 -39.77000 -12.92000 -64.94000 -2.35000 80.31000 -83.85000 7.65000 33.29000 93.81000 0.00000 0.00000 0.00000 5.07000 21.96000 0.00000 -1.67000 0.00000 -0.24000 0.00000 0.00000 64.00000 CYK3_1QCF-23_15.PDB 13.34000 -39.53000 -11.17000 -65.71000 -2.90000 81.17000 -85.26000 9.00000 32.27000 92.87000 0.00000 0.00000 0.00000 4.76000 22.24000 0.00000 -1.67000 0.00000 -0.47000 0.00000 0.00000 64.00000 CYK3_1QCF-23_16.PDB 13.97000 -40.01000 -11.81000 -64.60000 -2.93000 80.96000 -83.33000 7.74000 32.65000 92.54000 0.00000 0.00000 0.00000 4.99000 22.13000 0.00000 -1.71000 0.00000 -0.51000 0.00000 0.00000 64.00000 CYK3_1QCF-23_17.PDB 14.16000 -39.76000 -11.47000 -65.58000 -2.37000 81.58000 -84.53000 7.55000 32.61000 93.43000 0.00000 0.00000 0.00000 5.19000 22.07000 0.00000 -2.10000 0.00000 -0.41000 0.00000 0.00000 64.00000 CYK3_1QCF-23_18.PDB 14.82000 -39.11000 -10.90000 -63.66000 -2.29000 78.99000 -82.37000 7.61000 31.31000 92.31000 0.00000 0.00000 0.00000 5.08000 21.92000 0.00000 -1.74000 0.00000 -0.41000 0.00000 0.00000 64.00000 CYK3_1QCF-23_19.PDB 15.13000 -40.10000 -11.85000 -65.18000 -2.72000 82.04000 -84.11000 7.72000 32.71000 93.67000 0.00000 0.00000 0.00000 5.21000 22.26000 0.00000 -1.90000 0.00000 -0.36000 0.00000 0.00000 64.00000 CYK3_1QCF-23_20.PDB 13.50000 -39.73000 -11.42000 -64.03000 -3.26000 80.23000 -82.52000 8.45000 32.09000 91.57000 0.00000 0.00000 0.00000 4.73000 22.03000 0.00000 -1.82000 0.00000 -0.78000 0.00000 0.00000 64.00000 CYK3_1QCF-23_21.PDB 11.94000 -38.93000 -10.60000 -65.37000 -1.92000 78.93000 -85.31000 8.11000 31.70000 92.23000 0.00000 0.00000 0.00000 4.77000 22.16000 0.00000 -1.71000 0.00000 0.05000 0.00000 0.00000 64.00000 CYK3_1QCF-23_22.PDB 13.24000 -39.26000 -11.03000 -65.69000 -2.48000 79.98000 -85.15000 8.62000 32.55000 92.85000 0.00000 0.00000 0.00000 5.00000 22.02000 0.00000 -1.76000 0.00000 -0.39000 0.00000 0.00000 64.00000 CYK3_1QCF-23_23.PDB 15.41000 -39.11000 -10.83000 -64.10000 -3.20000 80.30000 -82.63000 7.56000 31.92000 92.77000 0.00000 0.00000 0.00000 4.92000 21.94000 0.00000 -1.69000 0.00000 -0.47000 0.00000 0.00000 64.00000 CYK3_1QCF-23_24.PDB 14.82000 -38.28000 -10.10000 -63.28000 -2.74000 78.49000 -81.74000 7.58000 31.01000 91.09000 0.00000 0.00000 0.00000 4.80000 21.82000 0.00000 -1.65000 0.00000 -0.37000 0.00000 0.00000 64.00000 CYK3_1QCF-23_25.PDB 15.68000 -38.30000 -10.04000 -63.97000 -2.72000 78.84000 -82.77000 7.79000 31.19000 92.82000 0.00000 0.00000 0.00000 4.92000 21.81000 0.00000 -1.72000 0.00000 -0.35000 0.00000 0.00000 64.00000 CYK3_1QCF-23_26.PDB 15.13000 -38.36000 -9.91000 -63.29000 -2.76000 78.49000 -81.78000 7.76000 30.95000 91.19000 0.00000 0.00000 0.00000 4.87000 21.85000 0.00000 -1.67000 0.00000 -0.38000 0.00000 0.00000 64.00000 CYK3_1QCF-23_27.PDB 12.80000 -39.29000 -12.70000 -65.31000 -2.11000 80.30000 -84.77000 7.63000 33.30000 92.81000 0.00000 0.00000 0.00000 5.03000 21.87000 0.00000 -1.74000 0.00000 -0.36000 0.00000 0.00000 64.00000 CYK3_1QCF-23_28.PDB 14.75000 -39.11000 -10.83000 -63.94000 -2.77000 78.99000 -82.46000 8.42000 31.98000 92.10000 0.00000 0.00000 0.00000 4.91000 22.01000 0.00000 -1.83000 0.00000 -0.71000 0.00000 0.00000 64.00000 CYK3_1QCF-23_29.PDB 14.18000 -40.74000 -12.43000 -64.75000 -3.07000 81.95000 -83.29000 8.08000 33.11000 92.10000 0.00000 0.00000 0.00000 5.81000 22.40000 0.00000 -1.92000 0.00000 -0.68000 0.00000 0.00000 64.00000 CYK3_1QCF-23_30.PDB 11.95000 -39.78000 -11.44000 -65.86000 -1.91000 79.32000 -85.84000 8.44000 32.81000 92.98000 0.00000 0.00000 0.00000 4.91000 22.23000 0.00000 -1.70000 0.00000 0.02000 0.00000 0.00000 64.00000