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-8_1.PDB 5.49216 -9.69000 -0.77000 -2.18000 -8.12000 -0.08000 5.78000 -11.46000 0.66000 4.23000 2.25000 0.00000 0.00000 0.00000 0.48000 0.37000 0.00000 -0.33000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-8_2.PDB 4.87006 -9.52000 -0.71000 -2.15000 -8.02000 -0.08000 5.86000 -11.36000 0.57000 4.23000 2.21000 0.00000 0.00000 0.00000 0.38000 0.35000 0.00000 -0.30000 0.00000 -0.15000 0.00000 2.38000 65.00000 CYK3_1QCF-8_3.PDB 5.33469 -8.88000 -0.76000 -0.59000 -8.13000 -0.18000 5.70000 -11.57000 0.91000 3.68000 2.16000 0.00000 0.00000 0.00000 0.38000 0.42000 0.00000 -0.24000 0.00000 -0.23000 0.00000 2.38000 65.00000 CYK3_1QCF-8_4.PDB 4.29356 -9.55000 -1.14000 -2.61000 -8.74000 -0.09000 6.90000 -11.86000 1.79000 3.78000 2.67000 0.00000 0.00000 0.00000 0.43000 0.46000 0.00000 -0.53000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-8_5.PDB 5.38325 -9.19000 -0.77000 -0.59000 -7.96000 -0.10000 5.45000 -11.35000 0.48000 3.41000 2.45000 0.00000 0.00000 0.00000 0.20000 0.40000 0.00000 -0.25000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-8_6.PDB 3.91263 -7.97000 -0.75000 -0.59000 -8.37000 -0.19000 6.04000 -11.76000 1.60000 3.45000 2.65000 0.00000 0.00000 0.00000 0.45000 0.42000 0.00000 -0.27000 0.00000 -0.23000 0.00000 2.38000 65.00000 CYK3_1QCF-8_7.PDB 5.00180 -8.50000 -0.75000 -0.55000 -7.40000 -0.09000 4.98000 -10.59000 0.31000 2.86000 2.77000 0.00000 0.00000 0.00000 0.33000 0.37000 0.00000 -0.20000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-8_8.PDB 6.13522 -7.94000 -0.77000 -0.59000 -8.14000 -0.10000 5.80000 -11.51000 1.53000 3.37000 2.50000 0.00000 0.00000 0.00000 0.39000 0.46000 0.00000 -0.27000 0.00000 -0.15000 0.00000 2.38000 65.00000 CYK3_1QCF-8_9.PDB 5.65314 -9.46000 -0.71000 -0.55000 -7.84000 -0.19000 5.30000 -11.31000 0.57000 3.05000 2.19000 0.00000 0.00000 0.00000 0.48000 0.40000 0.00000 -0.21000 0.00000 -0.24000 0.00000 2.38000 65.00000 CYK3_1QCF-8_10.PDB 4.70699 -9.95000 -0.78000 -2.21000 -8.24000 -0.12000 5.93000 -11.67000 0.58000 4.33000 2.43000 0.00000 0.00000 0.00000 0.36000 0.37000 0.00000 -0.34000 0.00000 -0.21000 0.00000 2.38000 65.00000 CYK3_1QCF-8_11.PDB 5.72732 -8.48000 -0.82000 -0.59000 -8.13000 -0.09000 5.80000 -11.56000 0.68000 3.66000 2.54000 0.00000 0.00000 0.00000 0.46000 0.36000 0.00000 -0.29000 0.00000 -0.14000 0.00000 2.38000 65.00000 CYK3_1QCF-8_12.PDB 5.02998 -9.56000 -0.75000 -2.19000 -8.19000 -0.13000 5.96000 -11.62000 0.68000 4.32000 2.44000 0.00000 0.00000 0.00000 0.40000 0.37000 0.00000 -0.26000 0.00000 -0.22000 0.00000 2.38000 65.00000 CYK3_1QCF-8_13.PDB 5.98701 -8.23000 -0.73000 -0.55000 -7.94000 -0.11000 5.70000 -11.35000 0.61000 3.67000 2.46000 0.00000 0.00000 0.00000 0.45000 0.40000 0.00000 -0.28000 0.00000 -0.15000 0.00000 2.38000 65.00000 CYK3_1QCF-8_14.PDB 4.36961 -8.70000 -0.71000 -2.15000 -7.76000 -0.14000 6.11000 -10.84000 0.44000 3.99000 2.57000 0.00000 0.00000 0.00000 0.30000 0.38000 0.00000 -0.32000 0.00000 -0.23000 0.00000 2.38000 65.00000 CYK3_1QCF-8_15.PDB 4.60677 -8.75000 -0.75000 -0.59000 -8.09000 -0.18000 5.90000 -11.57000 0.54000 3.69000 2.47000 0.00000 0.00000 0.00000 0.37000 0.37000 0.00000 -0.33000 0.00000 -0.21000 0.00000 2.38000 65.00000 CYK3_1QCF-8_16.PDB 5.53530 -8.24000 -0.78000 -0.55000 -8.54000 0.01000 4.69000 -12.63000 3.46000 3.65000 2.17000 0.00000 0.00000 0.00000 0.50000 0.47000 0.00000 -0.19000 0.00000 -0.03000 0.00000 2.38000 65.00000 CYK3_1QCF-8_17.PDB 5.32577 -7.76000 -0.80000 -0.59000 -8.38000 -0.01000 4.82000 -12.44000 3.75000 3.58000 2.17000 0.00000 0.00000 0.00000 0.39000 0.51000 0.00000 -0.21000 0.00000 -0.04000 0.00000 2.38000 65.00000 CYK3_1QCF-8_18.PDB 5.22538 -9.19000 -1.17000 -2.64000 -8.61000 -0.11000 7.13000 -11.56000 1.21000 4.04000 2.74000 0.00000 0.00000 0.00000 0.30000 0.38000 0.00000 -0.34000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-8_19.PDB 6.14596 -8.28000 -0.83000 -0.62000 -8.93000 -0.09000 5.20000 -13.09000 3.79000 3.76000 2.27000 0.00000 0.00000 0.00000 0.58000 0.56000 0.00000 -0.24000 0.00000 -0.10000 0.00000 2.38000 65.00000 CYK3_1QCF-8_20.PDB 4.52734 -7.35000 -1.20000 -2.67000 -9.16000 -0.11000 7.86000 -12.13000 2.87000 4.27000 3.04000 0.00000 0.00000 0.00000 0.43000 0.43000 0.00000 -0.40000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-8_21.PDB 4.58359 -9.48000 -0.78000 -0.59000 -8.02000 -0.14000 5.23000 -11.52000 0.53000 3.38000 2.58000 0.00000 0.00000 0.00000 0.27000 0.41000 0.00000 -0.22000 0.00000 -0.20000 0.00000 2.38000 65.00000 CYK3_1QCF-8_22.PDB 6.45313 -9.12000 -1.32000 -3.03000 -8.89000 -0.21000 7.34000 -11.99000 2.48000 4.07000 2.74000 0.00000 0.00000 0.00000 0.36000 0.39000 0.00000 -0.43000 0.00000 -0.23000 0.00000 2.38000 65.00000 CYK3_1QCF-8_23.PDB 4.92006 -9.48000 -0.76000 -0.59000 -7.88000 -0.06000 5.23000 -11.38000 0.36000 3.26000 2.40000 0.00000 0.00000 0.00000 0.27000 0.40000 0.00000 -0.19000 0.00000 -0.13000 0.00000 2.38000 65.00000 CYK3_1QCF-8_24.PDB 6.44410 -10.08000 -1.19000 -2.64000 -8.55000 -0.15000 6.82000 -11.76000 1.05000 3.73000 2.66000 0.00000 0.00000 0.00000 0.39000 0.45000 0.00000 -0.24000 0.00000 -0.21000 0.00000 2.38000 65.00000 CYK3_1QCF-8_25.PDB 6.56572 -9.37000 -1.21000 -2.76000 -8.25000 -0.07000 6.58000 -11.44000 1.17000 3.93000 2.70000 0.00000 0.00000 0.00000 0.28000 0.42000 0.00000 -0.16000 0.00000 -0.13000 0.00000 2.38000 65.00000 CYK3_1QCF-8_26.PDB 4.70670 -8.21000 -0.74000 -2.35000 -7.35000 -0.18000 5.53000 -10.39000 0.53000 4.09000 3.02000 0.00000 0.00000 0.00000 0.15000 0.40000 0.00000 -0.29000 0.00000 -0.24000 0.00000 2.38000 65.00000 CYK3_1QCF-8_27.PDB 4.19292 -8.86000 -0.74000 -0.55000 -7.50000 -0.09000 5.44000 -10.64000 0.61000 2.91000 1.89000 0.00000 0.00000 0.00000 0.27000 0.40000 0.00000 -0.32000 0.00000 -0.15000 0.00000 2.38000 65.00000 CYK3_1QCF-8_28.PDB 5.86450 -7.77000 -0.78000 -0.59000 -7.87000 -0.16000 5.84000 -11.10000 0.60000 3.36000 3.08000 0.00000 0.00000 0.00000 0.31000 0.43000 0.00000 -0.23000 0.00000 -0.21000 0.00000 2.38000 65.00000 CYK3_1QCF-8_29.PDB 5.21268 -7.76000 -0.74000 -0.55000 -7.46000 -0.04000 5.15000 -10.63000 0.46000 2.93000 3.05000 0.00000 0.00000 0.00000 0.36000 0.40000 0.00000 -0.17000 0.00000 -0.11000 0.00000 2.38000 65.00000 CYK3_1QCF-8_30.PDB 4.96751 -8.32000 -0.75000 -0.57000 -8.13000 -0.13000 5.98000 -11.51000 0.50000 3.24000 3.25000 0.00000 0.00000 0.00000 0.24000 0.43000 0.00000 -0.22000 0.00000 -0.21000 0.00000 2.38000 65.00000