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-1_1.PDB 2.84353 -12.77000 -0.54000 -5.47000 -10.14000 -0.33000 9.07000 -14.24000 0.40000 6.79000 2.08000 0.00000 0.00000 0.00000 0.21000 0.87000 0.00000 -0.33000 0.00000 -0.26000 0.00000 2.38000 67.00000 CYK3_1QCF-1_2.PDB 2.86911 -10.53000 -0.52000 -5.25000 -9.32000 -0.33000 8.77000 -12.99000 0.37000 6.43000 2.57000 0.00000 0.00000 0.00000 0.12000 0.87000 0.00000 -0.12000 0.00000 -0.27000 0.00000 2.38000 67.00000 CYK3_1QCF-1_3.PDB 2.70797 -10.90000 -1.30000 -1.10000 -9.79000 -0.28000 8.26000 -13.62000 0.28000 4.75000 2.09000 0.00000 0.00000 0.00000 0.30000 0.87000 0.00000 -0.35000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-1_4.PDB 2.74956 -11.40000 -0.54000 -2.09000 -9.30000 -0.34000 7.18000 -13.34000 0.32000 5.06000 2.11000 0.00000 0.00000 0.00000 0.17000 0.70000 0.00000 -0.34000 0.00000 -0.29000 0.00000 2.38000 67.00000 CYK3_1QCF-1_5.PDB 3.87914 -12.29000 -1.05000 -4.07000 -10.69000 -0.27000 9.09000 -14.89000 0.35000 6.26000 3.51000 0.00000 0.00000 0.00000 0.36000 0.98000 0.00000 -0.68000 0.00000 -0.22000 0.00000 2.38000 67.00000 CYK3_1QCF-1_6.PDB 2.98540 -10.31000 -1.32000 -1.13000 -9.64000 -0.21000 8.33000 -13.26000 0.28000 5.05000 1.66000 0.00000 0.00000 0.00000 0.23000 0.77000 0.00000 -0.21000 0.00000 -0.10000 0.00000 2.38000 67.00000 CYK3_1QCF-1_7.PDB 2.82096 -12.31000 -0.54000 -5.49000 -9.49000 -0.38000 8.52000 -13.30000 0.46000 6.36000 1.65000 0.00000 0.00000 0.00000 0.23000 0.80000 0.00000 -0.00000 0.00000 -0.34000 0.00000 2.38000 67.00000 CYK3_1QCF-1_8.PDB 2.81790 -12.25000 -0.55000 -3.75000 -9.42000 -0.37000 7.15000 -13.55000 0.33000 6.01000 2.27000 0.00000 0.00000 0.00000 0.19000 0.81000 0.00000 -0.23000 0.00000 -0.33000 0.00000 2.38000 67.00000 CYK3_1QCF-1_9.PDB 2.89152 -9.34000 -0.52000 -2.09000 -8.54000 -0.27000 7.08000 -12.14000 0.40000 4.66000 2.32000 0.00000 0.00000 0.00000 0.22000 0.76000 0.00000 -0.25000 0.00000 -0.22000 0.00000 2.38000 67.00000 CYK3_1QCF-1_10.PDB 3.56083 -11.83000 -1.11000 -4.38000 -10.21000 -0.30000 9.46000 -14.38000 0.27000 5.83000 3.40000 0.00000 0.00000 0.00000 0.23000 0.90000 0.00000 -0.40000 0.00000 -0.26000 0.00000 2.38000 67.00000 CYK3_1QCF-1_11.PDB 3.26077 -10.86000 -0.55000 -2.10000 -9.27000 -0.23000 7.30000 -13.17000 0.31000 4.98000 2.23000 0.00000 0.00000 0.00000 0.22000 0.75000 0.00000 -0.38000 0.00000 -0.18000 0.00000 2.38000 67.00000 CYK3_1QCF-1_12.PDB 4.23819 -12.95000 -0.56000 -3.83000 -9.94000 -0.50000 7.80000 -13.85000 0.75000 5.56000 2.03000 0.00000 0.00000 0.00000 0.25000 0.79000 0.00000 -0.23000 0.00000 -0.43000 0.00000 2.38000 67.00000 CYK3_1QCF-1_13.PDB 2.83933 -9.85000 -0.56000 -2.11000 -9.19000 -0.24000 7.93000 -12.72000 0.40000 4.73000 1.86000 0.00000 0.00000 0.00000 0.32000 0.68000 0.00000 -0.18000 0.00000 -0.08000 0.00000 2.38000 67.00000 CYK3_1QCF-1_14.PDB 2.97893 -10.73000 -0.56000 -2.09000 -9.27000 -0.25000 7.26000 -13.26000 0.44000 4.93000 2.28000 0.00000 0.00000 0.00000 0.18000 0.75000 0.00000 -0.19000 0.00000 -0.20000 0.00000 2.38000 67.00000 CYK3_1QCF-1_15.PDB 3.72598 -10.57000 -1.09000 -2.63000 -9.74000 -0.22000 8.08000 -13.88000 0.32000 5.26000 3.29000 0.00000 0.00000 0.00000 0.35000 0.80000 0.00000 -0.15000 0.00000 -0.16000 0.00000 2.38000 67.00000 CYK3_1QCF-1_16.PDB 2.77136 -10.84000 -0.53000 -1.92000 -9.61000 -0.21000 7.62000 -13.80000 0.43000 5.09000 2.37000 0.00000 0.00000 0.00000 0.20000 0.70000 0.00000 -0.33000 0.00000 -0.15000 0.00000 2.38000 67.00000 CYK3_1QCF-1_17.PDB 2.75475 -9.41000 -0.54000 -2.10000 -8.52000 -0.19000 6.96000 -12.12000 0.20000 4.71000 2.41000 0.00000 0.00000 0.00000 0.22000 0.74000 0.00000 -0.30000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-1_18.PDB 3.03515 -9.83000 -1.39000 -2.96000 -9.10000 -0.32000 7.85000 -12.52000 0.29000 6.13000 2.35000 0.00000 0.00000 0.00000 0.26000 0.87000 0.00000 -0.15000 0.00000 -0.26000 0.00000 2.38000 67.00000 CYK3_1QCF-1_19.PDB 3.47217 -11.12000 -1.07000 -2.65000 -9.89000 -0.25000 8.36000 -13.97000 0.31000 5.07000 3.26000 0.00000 0.00000 0.00000 0.29000 0.89000 0.00000 -0.44000 0.00000 -0.14000 0.00000 2.38000 67.00000 CYK3_1QCF-1_20.PDB 3.47264 -11.26000 -1.10000 -2.67000 -9.82000 -0.27000 8.21000 -13.93000 0.32000 4.99000 3.26000 0.00000 0.00000 0.00000 0.32000 0.86000 0.00000 -0.45000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-1_21.PDB 3.64871 -11.19000 -1.09000 -4.36000 -10.18000 -0.30000 9.79000 -14.29000 0.31000 6.13000 3.06000 0.00000 0.00000 0.00000 0.21000 0.89000 0.00000 -0.23000 0.00000 -0.24000 0.00000 2.38000 67.00000 CYK3_1QCF-1_22.PDB 3.31584 -11.56000 -0.48000 -3.82000 -9.64000 -0.30000 7.99000 -13.49000 0.32000 5.81000 2.37000 0.00000 0.00000 0.00000 0.24000 0.83000 0.00000 -0.30000 0.00000 -0.25000 0.00000 2.38000 67.00000 CYK3_1QCF-1_23.PDB 2.89889 -9.52000 -0.53000 -2.09000 -8.46000 -0.22000 6.81000 -12.10000 0.28000 4.54000 2.35000 0.00000 0.00000 0.00000 0.23000 0.76000 0.00000 -0.16000 0.00000 -0.16000 0.00000 2.38000 67.00000 CYK3_1QCF-1_24.PDB 3.17076 -10.94000 -0.50000 -3.81000 -9.82000 -0.20000 9.18000 -13.49000 0.36000 5.43000 2.17000 0.00000 0.00000 0.00000 0.22000 0.81000 0.00000 -0.25000 0.00000 -0.23000 0.00000 2.38000 67.00000 CYK3_1QCF-1_25.PDB 3.24573 -10.36000 -0.52000 -3.79000 -8.93000 -0.17000 7.09000 -12.77000 0.26000 6.10000 2.50000 0.00000 0.00000 0.00000 0.26000 0.69000 0.00000 -0.28000 0.00000 -0.11000 0.00000 2.38000 67.00000 CYK3_1QCF-1_26.PDB 3.33967 -9.36000 -0.54000 -0.36000 -7.92000 -0.11000 5.85000 -11.46000 0.24000 3.06000 2.15000 0.00000 0.00000 0.00000 0.18000 0.64000 0.00000 -0.26000 0.00000 -0.19000 0.00000 2.38000 67.00000 CYK3_1QCF-1_27.PDB 2.81353 -10.33000 -0.54000 -0.34000 -8.68000 -0.23000 6.34000 -12.66000 0.24000 3.58000 2.24000 0.00000 0.00000 0.00000 0.21000 0.63000 0.00000 -0.28000 0.00000 -0.22000 0.00000 2.38000 67.00000 CYK3_1QCF-1_28.PDB 3.61918 -11.58000 -1.09000 -4.36000 -10.15000 -0.34000 9.62000 -14.23000 0.25000 5.99000 3.09000 0.00000 0.00000 0.00000 0.17000 0.82000 0.00000 -0.24000 0.00000 -0.29000 0.00000 2.38000 67.00000 CYK3_1QCF-1_29.PDB 3.25315 -11.17000 -0.53000 -3.82000 -10.07000 -0.21000 9.28000 -13.72000 0.45000 5.65000 2.16000 0.00000 0.00000 0.00000 0.19000 0.83000 0.00000 -0.32000 0.00000 -0.23000 0.00000 2.38000 67.00000 CYK3_1QCF-1_30.PDB 3.29586 -11.50000 -0.48000 -3.80000 -9.64000 -0.24000 8.62000 -13.42000 0.53000 5.39000 2.00000 0.00000 0.00000 0.00000 0.14000 0.72000 0.00000 -0.32000 0.00000 -0.28000 0.00000 2.38000 67.00000