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-23_1.PDB 1.93823 -6.19000 -0.98000 -0.83000 -5.26000 -1.00000 4.26000 -7.60000 1.04000 3.03000 1.72000 0.00000 0.00000 0.00000 0.02000 0.35000 0.00000 -0.15000 0.00000 -0.46000 0.00000 2.38000 64.00000 CYK3_1QCF-23_2.PDB 2.20985 -6.42000 -0.04000 -1.28000 -4.87000 -0.33000 2.72000 -7.32000 0.69000 2.65000 1.67000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.06000 0.00000 -0.25000 0.00000 2.38000 64.00000 CYK3_1QCF-23_3.PDB 1.71066 -5.93000 -0.04000 -1.63000 -4.80000 -0.43000 2.77000 -7.19000 0.77000 3.29000 1.76000 0.00000 0.00000 0.00000 0.00000 0.10000 0.00000 -0.08000 0.00000 -0.35000 0.00000 2.38000 64.00000 CYK3_1QCF-23_4.PDB 2.35066 -5.63000 -0.93000 -0.83000 -4.57000 -0.94000 4.07000 -6.43000 0.63000 2.70000 1.23000 0.00000 0.00000 0.00000 0.01000 0.35000 0.00000 -0.11000 0.00000 -0.46000 0.00000 2.38000 64.00000 CYK3_1QCF-23_5.PDB 2.21680 -5.44000 -0.07000 0.00000 -4.59000 -0.33000 2.45000 -6.96000 0.85000 1.96000 1.59000 0.00000 0.00000 0.00000 0.04000 0.06000 0.00000 -0.11000 0.00000 -0.25000 0.00000 2.38000 64.00000 CYK3_1QCF-23_6.PDB 1.67386 -4.95000 -0.06000 -0.09000 -4.45000 -0.50000 2.90000 -6.52000 0.74000 2.11000 1.40000 0.00000 0.00000 0.00000 0.03000 0.14000 0.00000 -0.13000 0.00000 -0.36000 0.00000 2.38000 64.00000 CYK3_1QCF-23_7.PDB 2.16745 -4.89000 -0.07000 0.00000 -4.00000 -0.53000 2.58000 -5.98000 0.60000 1.71000 1.32000 0.00000 0.00000 0.00000 0.02000 0.15000 0.00000 -0.17000 0.00000 -0.38000 0.00000 2.38000 64.00000 CYK3_1QCF-23_8.PDB 2.37134 -6.28000 -0.95000 -0.84000 -5.05000 -0.98000 4.25000 -7.27000 0.75000 2.97000 1.46000 0.00000 0.00000 0.00000 0.01000 0.36000 0.00000 -0.15000 0.00000 -0.46000 0.00000 2.38000 64.00000 CYK3_1QCF-23_9.PDB 2.10106 -5.36000 -0.90000 -0.80000 -4.52000 -1.02000 4.09000 -6.30000 0.75000 2.67000 1.24000 0.00000 0.00000 0.00000 0.01000 0.37000 0.00000 -0.10000 0.00000 -0.49000 0.00000 2.38000 64.00000 CYK3_1QCF-23_10.PDB 2.20216 -5.19000 -0.99000 -0.96000 -4.81000 -0.77000 4.83000 -6.57000 0.56000 2.59000 1.60000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.35000 0.00000 -0.36000 0.00000 2.38000 64.00000 CYK3_1QCF-23_11.PDB 2.17194 -5.78000 -0.08000 -1.60000 -4.30000 -0.45000 2.76000 -6.35000 0.57000 2.85000 1.32000 0.00000 0.00000 0.00000 0.04000 0.16000 0.00000 -0.21000 0.00000 -0.33000 0.00000 2.38000 64.00000 CYK3_1QCF-23_12.PDB 2.09945 -5.90000 -1.04000 -0.92000 -5.35000 -1.09000 5.32000 -7.43000 0.91000 2.76000 1.48000 0.00000 0.00000 0.00000 0.01000 0.45000 0.00000 -0.25000 0.00000 -0.30000 0.00000 2.38000 64.00000 CYK3_1QCF-23_13.PDB 2.42966 -5.20000 -0.93000 -0.82000 -4.43000 -1.08000 4.04000 -6.33000 0.97000 2.50000 1.48000 0.00000 0.00000 0.00000 0.01000 0.39000 0.00000 -0.11000 0.00000 -0.49000 0.00000 2.38000 64.00000 CYK3_1QCF-23_14.PDB 1.84337 -6.27000 -0.04000 -1.35000 -4.63000 -0.32000 2.77000 -6.88000 0.70000 2.51000 1.29000 0.00000 0.00000 0.00000 0.00000 0.14000 0.00000 -0.10000 0.00000 -0.24000 0.00000 2.38000 64.00000 CYK3_1QCF-23_15.PDB 1.94172 -6.55000 -1.44000 -1.31000 -6.47000 -0.96000 5.20000 -9.49000 2.39000 3.69000 2.39000 0.00000 0.00000 0.00000 0.01000 0.37000 0.00000 -0.09000 0.00000 -0.47000 0.00000 2.38000 64.00000 CYK3_1QCF-23_16.PDB 1.83381 -5.21000 -0.97000 -0.94000 -4.89000 -1.00000 4.48000 -6.83000 0.97000 2.89000 1.70000 0.00000 0.00000 0.00000 0.01000 0.36000 0.00000 -0.13000 0.00000 -0.51000 0.00000 2.38000 64.00000 CYK3_1QCF-23_17.PDB 2.33415 -6.24000 -0.13000 -0.04000 -5.10000 -0.55000 3.59000 -7.23000 0.65000 2.09000 1.18000 0.00000 0.00000 0.00000 0.04000 0.16000 0.00000 -0.34000 0.00000 -0.41000 0.00000 2.38000 64.00000 CYK3_1QCF-23_18.PDB 2.23885 -4.90000 -0.04000 -0.00000 -3.96000 -0.52000 2.47000 -5.92000 0.64000 1.58000 1.37000 0.00000 0.00000 0.00000 0.03000 0.14000 0.00000 -0.15000 0.00000 -0.41000 0.00000 2.38000 64.00000 CYK3_1QCF-23_19.PDB 2.17861 -5.12000 -0.99000 -0.95000 -5.26000 -0.79000 5.11000 -7.38000 1.07000 2.83000 1.90000 0.00000 0.00000 0.00000 0.06000 0.47000 0.00000 -0.32000 0.00000 -0.36000 0.00000 2.38000 64.00000 CYK3_1QCF-23_20.PDB 2.24808 -5.39000 -0.92000 -0.82000 -4.39000 -1.31000 4.33000 -6.08000 1.23000 2.62000 0.95000 0.00000 0.00000 0.00000 0.00000 0.35000 0.00000 -0.22000 0.00000 -0.78000 0.00000 2.38000 64.00000 CYK3_1QCF-23_21.PDB 2.01207 -7.07000 -0.15000 0.00000 -5.54000 0.00000 2.53000 -8.76000 1.25000 2.23000 1.42000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.11000 0.00000 0.05000 0.00000 2.38000 64.00000 CYK3_1QCF-23_22.PDB 2.54453 -6.70000 -0.15000 -0.09000 -5.37000 -0.50000 3.17000 -8.18000 0.84000 2.47000 1.66000 0.00000 0.00000 0.00000 0.01000 0.20000 0.00000 -0.17000 0.00000 -0.39000 0.00000 2.38000 64.00000 CYK3_1QCF-23_23.PDB 1.60885 -4.98000 -0.91000 -0.81000 -4.47000 -0.96000 4.19000 -6.19000 0.45000 2.69000 1.59000 0.00000 0.00000 0.00000 0.00000 0.34000 0.00000 -0.11000 0.00000 -0.47000 0.00000 2.38000 64.00000 CYK3_1QCF-23_24.PDB 1.85741 -4.10000 -0.06000 -0.09000 -3.80000 -0.46000 2.75000 -5.41000 0.80000 1.78000 0.83000 0.00000 0.00000 0.00000 0.00000 0.13000 0.00000 -0.08000 0.00000 -0.37000 0.00000 2.38000 64.00000 CYK3_1QCF-23_25.PDB 2.40164 -4.54000 -0.09000 0.00000 -4.07000 -0.44000 2.58000 -5.97000 0.58000 1.77000 1.59000 0.00000 0.00000 0.00000 0.01000 0.13000 0.00000 -0.14000 0.00000 -0.35000 0.00000 2.38000 64.00000 CYK3_1QCF-23_26.PDB 2.20237 -4.02000 -0.13000 0.00000 -3.75000 -0.49000 2.78000 -5.32000 0.92000 1.62000 0.82000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.10000 0.00000 -0.38000 0.00000 2.38000 64.00000 CYK3_1QCF-23_27.PDB 2.09641 -6.66000 -0.20000 -1.83000 -5.36000 -0.41000 3.29000 -8.07000 0.98000 3.54000 1.84000 0.00000 0.00000 0.00000 0.03000 0.10000 0.00000 -0.10000 0.00000 -0.36000 0.00000 2.38000 64.00000 CYK3_1QCF-23_28.PDB 2.43519 -4.81000 -0.04000 0.00000 -3.96000 -0.82000 2.68000 -5.81000 0.82000 2.03000 1.12000 0.00000 0.00000 0.00000 0.01000 0.20000 0.00000 -0.13000 0.00000 -0.71000 0.00000 2.38000 64.00000 CYK3_1QCF-23_29.PDB 3.23926 -5.46000 -1.04000 -0.96000 -4.53000 -1.11000 4.97000 -6.10000 0.74000 2.48000 0.97000 0.00000 0.00000 0.00000 0.12000 0.47000 0.00000 -0.33000 0.00000 -0.68000 0.00000 2.38000 64.00000 CYK3_1QCF-23_30.PDB 2.48218 -7.38000 -0.14000 -0.00000 -5.48000 -0.03000 2.46000 -8.69000 0.93000 2.18000 1.46000 0.00000 0.00000 0.00000 0.00000 0.50000 0.00000 -0.10000 0.00000 0.02000 0.00000 2.38000 64.00000