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-13_1.PDB 4.52029 -12.44000 -1.24000 -4.51000 -7.92000 -0.33000 6.08000 -10.96000 1.95000 4.12000 1.07000 0.00000 0.00000 0.00000 0.17000 0.55000 0.00000 -0.46000 0.00000 -0.42000 0.00000 2.38000 65.00000 CYK3_1QCF-13_2.PDB 3.18240 -11.11000 -1.20000 -4.57000 -7.81000 -0.32000 6.23000 -10.80000 2.45000 4.32000 1.13000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -0.25000 0.00000 -0.42000 0.00000 2.38000 65.00000 CYK3_1QCF-13_3.PDB 3.10572 -10.95000 -1.24000 -4.57000 -7.83000 -0.31000 6.32000 -10.77000 2.34000 4.35000 1.27000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -0.23000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_4.PDB 2.71802 -8.42000 -1.22000 -4.57000 -7.28000 -0.30000 6.38000 -9.73000 2.57000 4.25000 1.89000 0.00000 0.00000 0.00000 0.15000 0.63000 0.00000 -0.14000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_5.PDB 2.96500 -10.86000 -1.20000 -4.60000 -7.82000 -0.32000 6.36000 -10.71000 2.45000 4.28000 1.20000 0.00000 0.00000 0.00000 0.07000 0.57000 0.00000 -0.13000 0.00000 -0.43000 0.00000 2.38000 65.00000 CYK3_1QCF-13_6.PDB 3.19679 -10.60000 -1.21000 -4.54000 -7.70000 -0.27000 6.34000 -10.52000 2.45000 4.22000 1.27000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -0.36000 0.00000 -0.38000 0.00000 2.38000 65.00000 CYK3_1QCF-13_7.PDB 2.93405 -11.16000 -1.22000 -4.53000 -7.93000 -0.31000 6.39000 -10.94000 2.41000 4.34000 1.30000 0.00000 0.00000 0.00000 0.09000 0.56000 0.00000 -0.35000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_8.PDB 2.64406 -10.18000 -1.17000 -4.54000 -7.78000 -0.33000 6.23000 -10.45000 3.25000 4.01000 1.37000 0.00000 0.00000 0.00000 0.12000 0.56000 0.00000 -0.48000 0.00000 -0.40000 0.00000 2.38000 65.00000 CYK3_1QCF-13_9.PDB 2.93589 -9.79000 -1.18000 -2.76000 -7.81000 -0.23000 5.77000 -10.93000 2.36000 4.30000 1.12000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -0.19000 0.00000 -0.31000 0.00000 2.38000 65.00000 CYK3_1QCF-13_10.PDB 4.32613 -10.65000 -1.23000 -4.53000 -7.76000 -0.34000 6.31000 -10.68000 2.35000 4.30000 1.45000 0.00000 0.00000 0.00000 0.14000 0.61000 0.00000 -0.24000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_11.PDB 4.26736 -10.56000 -2.85000 -6.25000 -8.07000 -0.35000 7.77000 -10.54000 2.53000 5.79000 2.29000 0.00000 0.00000 0.00000 0.06000 0.55000 0.00000 -0.51000 0.00000 -0.42000 0.00000 2.38000 65.00000 CYK3_1QCF-13_12.PDB 2.60499 -7.94000 -2.77000 -4.38000 -7.36000 -0.27000 6.58000 -9.70000 2.32000 5.79000 2.59000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.42000 0.00000 -0.38000 0.00000 2.38000 65.00000 CYK3_1QCF-13_13.PDB 2.55414 -9.66000 -1.16000 -4.51000 -7.73000 -0.30000 6.50000 -10.42000 2.42000 4.84000 1.37000 0.00000 0.00000 0.00000 0.07000 0.50000 0.00000 -0.33000 0.00000 -0.40000 0.00000 2.38000 65.00000 CYK3_1QCF-13_14.PDB 3.00205 -8.93000 -1.22000 -2.83000 -7.48000 -0.24000 5.85000 -10.33000 2.33000 4.17000 1.33000 0.00000 0.00000 0.00000 0.08000 0.50000 0.00000 -0.24000 0.00000 -0.34000 0.00000 2.38000 65.00000 CYK3_1QCF-13_15.PDB 3.05048 -11.01000 -1.24000 -4.54000 -7.94000 -0.31000 6.33000 -11.03000 2.59000 4.39000 1.32000 0.00000 0.00000 0.00000 0.08000 0.58000 0.00000 -0.24000 0.00000 -0.42000 0.00000 2.38000 65.00000 CYK3_1QCF-13_16.PDB 3.11387 -9.33000 -1.22000 -2.83000 -7.74000 -0.29000 5.98000 -10.79000 2.38000 4.33000 1.31000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.21000 0.00000 -0.37000 0.00000 2.38000 65.00000 CYK3_1QCF-13_17.PDB 3.00111 -10.75000 -1.19000 -4.55000 -7.83000 -0.36000 6.39000 -10.78000 2.51000 4.34000 1.30000 0.00000 0.00000 0.00000 0.08000 0.59000 0.00000 -0.20000 0.00000 -0.47000 0.00000 2.38000 65.00000 CYK3_1QCF-13_18.PDB 2.57850 -10.91000 -1.16000 -4.50000 -7.58000 -0.28000 5.99000 -10.21000 2.10000 4.04000 1.27000 0.00000 0.00000 0.00000 0.18000 0.61000 0.00000 -0.41000 0.00000 -0.35000 0.00000 2.38000 65.00000 CYK3_1QCF-13_19.PDB 2.46066 -9.82000 -1.17000 -4.53000 -7.31000 -0.32000 6.00000 -10.01000 2.15000 4.31000 1.58000 0.00000 0.00000 0.00000 0.08000 0.57000 0.00000 -0.18000 0.00000 -0.42000 0.00000 2.38000 65.00000 CYK3_1QCF-13_20.PDB 2.34820 -8.88000 -1.17000 -4.11000 -6.59000 -0.31000 5.64000 -8.93000 2.17000 4.02000 1.14000 0.00000 0.00000 0.00000 0.10000 0.41000 0.00000 -0.41000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_21.PDB 2.96597 -9.02000 -2.81000 -4.44000 -7.92000 -0.25000 7.08000 -10.47000 2.42000 5.81000 2.21000 0.00000 0.00000 0.00000 0.07000 0.56000 0.00000 -0.38000 0.00000 -0.35000 0.00000 2.38000 65.00000 CYK3_1QCF-13_22.PDB 3.61872 -8.96000 -1.26000 -2.80000 -7.69000 -0.27000 5.83000 -10.77000 2.74000 4.32000 1.33000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.13000 0.00000 -0.36000 0.00000 2.38000 65.00000 CYK3_1QCF-13_23.PDB 2.79355 -7.59000 -1.17000 -2.74000 -6.88000 -0.33000 5.62000 -9.35000 1.90000 4.13000 1.73000 0.00000 0.00000 0.00000 0.14000 0.40000 0.00000 -0.23000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_24.PDB 2.50942 -11.22000 -2.81000 -6.18000 -8.03000 -0.37000 7.64000 -10.49000 1.43000 6.23000 2.28000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -0.51000 0.00000 -0.48000 0.00000 2.38000 65.00000 CYK3_1QCF-13_25.PDB 3.37313 -10.50000 -1.26000 -4.28000 -7.72000 -0.26000 6.33000 -10.57000 2.39000 4.26000 1.25000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -0.39000 0.00000 -0.37000 0.00000 2.38000 65.00000 CYK3_1QCF-13_26.PDB 5.43162 -11.70000 -1.24000 -5.81000 -8.55000 -0.29000 7.58000 -10.70000 2.12000 4.29000 1.32000 0.00000 0.00000 0.00000 0.53000 0.82000 0.00000 -0.58000 0.00000 -0.36000 0.00000 2.38000 65.00000 CYK3_1QCF-13_27.PDB 2.87390 -10.74000 -1.24000 -4.58000 -7.68000 -0.28000 6.39000 -10.50000 2.31000 4.20000 1.31000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.35000 0.00000 -0.39000 0.00000 2.38000 65.00000 CYK3_1QCF-13_28.PDB 3.10912 -9.45000 -2.76000 -5.64000 -8.00000 -0.31000 7.39000 -10.42000 2.41000 6.37000 2.45000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.61000 0.00000 -0.40000 0.00000 2.38000 65.00000 CYK3_1QCF-13_29.PDB 2.49005 -9.24000 -1.23000 -4.58000 -7.29000 -0.31000 6.43000 -9.73000 2.16000 4.31000 1.67000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.30000 0.00000 -0.41000 0.00000 2.38000 65.00000 CYK3_1QCF-13_30.PDB 4.41621 -10.11000 -1.19000 -4.56000 -7.85000 -0.33000 6.61000 -10.67000 2.58000 4.30000 1.45000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.12000 0.00000 -0.39000 0.00000 2.38000 65.00000