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-4_1.PDB 4.47433 -7.45000 -0.49000 -0.30000 -9.41000 0.12000 6.63000 -13.66000 4.17000 2.99000 2.43000 0.00000 0.00000 0.00000 0.15000 0.95000 0.00000 -0.16000 0.00000 0.09000 0.00000 2.38000 67.00000 CYK3_1QCF-4_2.PDB 5.52689 -8.29000 -0.19000 -0.00000 -9.07000 0.05000 5.87000 -13.46000 3.72000 2.70000 2.21000 0.00000 0.00000 0.00000 0.10000 1.02000 0.00000 -0.23000 0.00000 0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-4_3.PDB 4.35961 -7.27000 -0.50000 -0.27000 -9.08000 0.14000 6.28000 -13.07000 4.08000 2.70000 2.29000 0.00000 0.00000 0.00000 0.16000 0.97000 0.00000 -0.11000 0.00000 0.10000 0.00000 2.38000 67.00000 CYK3_1QCF-4_4.PDB 4.33275 -7.38000 -0.50000 -0.28000 -9.08000 0.04000 6.37000 -13.03000 4.04000 2.78000 2.24000 0.00000 0.00000 0.00000 0.14000 1.03000 0.00000 -0.05000 0.00000 -0.06000 0.00000 2.38000 67.00000 CYK3_1QCF-4_5.PDB 4.41685 -8.00000 -0.48000 -0.26000 -9.20000 0.09000 6.25000 -13.54000 4.03000 2.93000 2.17000 0.00000 0.00000 0.00000 0.15000 0.94000 0.00000 -0.17000 0.00000 0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-4_6.PDB 5.67149 -8.49000 -0.22000 -0.03000 -9.18000 0.04000 6.30000 -13.23000 2.98000 2.92000 2.03000 0.00000 0.00000 0.00000 0.11000 0.98000 0.00000 -0.19000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-4_7.PDB 5.53437 -8.48000 -0.22000 -0.03000 -9.22000 0.12000 6.27000 -13.47000 3.07000 2.91000 2.18000 0.00000 0.00000 0.00000 0.10000 1.04000 0.00000 -0.22000 0.00000 0.02000 0.00000 2.38000 67.00000 CYK3_1QCF-4_8.PDB 4.83615 -7.67000 -0.50000 -0.30000 -9.26000 0.07000 6.58000 -13.52000 4.08000 2.97000 2.26000 0.00000 0.00000 0.00000 0.13000 0.86000 0.00000 -0.16000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-4_9.PDB 5.85069 -8.57000 -0.22000 -0.03000 -9.47000 0.12000 6.26000 -13.71000 3.05000 3.06000 2.34000 0.00000 0.00000 0.00000 0.13000 0.93000 0.00000 -0.13000 0.00000 0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-4_10.PDB 5.44208 -8.54000 -0.22000 -0.03000 -9.33000 0.05000 6.42000 -13.47000 2.97000 2.98000 2.28000 0.00000 0.00000 0.00000 0.09000 1.00000 0.00000 -0.24000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-4_11.PDB 5.87628 -8.71000 -0.22000 -0.03000 -9.34000 -0.04000 6.54000 -13.34000 3.01000 3.01000 1.86000 0.00000 0.00000 0.00000 0.11000 0.91000 0.00000 -0.12000 0.00000 -0.14000 0.00000 2.38000 67.00000 CYK3_1QCF-4_12.PDB 5.80454 -8.10000 -0.22000 -0.00000 -9.08000 0.01000 6.15000 -13.06000 3.43000 2.89000 1.91000 0.00000 0.00000 0.00000 0.10000 0.92000 0.00000 -0.14000 0.00000 -0.09000 0.00000 2.38000 67.00000 CYK3_1QCF-4_13.PDB 4.99946 -7.75000 -0.52000 -0.32000 -9.31000 0.14000 6.49000 -13.53000 4.26000 3.00000 1.99000 0.00000 0.00000 0.00000 0.17000 0.89000 0.00000 -0.11000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-4_14.PDB 5.76047 -6.76000 -0.18000 -0.00000 -9.40000 -0.06000 6.90000 -13.58000 3.90000 3.08000 2.72000 0.00000 0.00000 0.00000 0.18000 0.88000 0.00000 -0.19000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-4_15.PDB 4.62131 -8.08000 -0.49000 -0.26000 -9.17000 0.20000 6.18000 -13.52000 4.30000 2.69000 1.99000 0.00000 0.00000 0.00000 0.16000 0.97000 0.00000 -0.20000 0.00000 0.04000 0.00000 2.38000 67.00000 CYK3_1QCF-4_16.PDB 4.72706 -6.91000 -0.50000 -0.30000 -9.95000 -0.03000 7.29000 -14.12000 3.81000 3.89000 3.23000 0.00000 0.00000 0.00000 0.15000 1.01000 0.00000 -0.25000 0.00000 -0.12000 0.00000 2.38000 67.00000 CYK3_1QCF-4_17.PDB 4.56897 -8.02000 -0.50000 -0.28000 -9.30000 0.14000 6.27000 -13.75000 4.46000 2.97000 1.91000 0.00000 0.00000 0.00000 0.13000 0.96000 0.00000 -0.11000 0.00000 0.06000 0.00000 2.38000 67.00000 CYK3_1QCF-4_18.PDB 4.36022 -7.23000 -0.50000 -0.30000 -9.22000 0.06000 6.71000 -13.15000 3.89000 2.92000 2.57000 0.00000 0.00000 0.00000 0.11000 0.95000 0.00000 -0.21000 0.00000 -0.11000 0.00000 2.38000 67.00000 CYK3_1QCF-4_19.PDB 5.22112 -8.15000 -0.23000 -0.03000 -9.27000 0.14000 6.24000 -13.31000 3.21000 2.95000 2.18000 0.00000 0.00000 0.00000 0.14000 0.94000 0.00000 -0.17000 0.00000 -0.01000 0.00000 2.38000 67.00000 CYK3_1QCF-4_20.PDB 5.33580 -8.67000 -0.23000 -0.00000 -9.15000 0.09000 6.16000 -13.32000 2.89000 2.85000 2.08000 0.00000 0.00000 0.00000 0.10000 0.99000 0.00000 -0.14000 0.00000 0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-4_21.PDB 4.41973 -5.95000 -0.50000 -0.31000 -9.37000 0.01000 7.38000 -13.09000 4.01000 3.17000 2.68000 0.00000 0.00000 0.00000 0.20000 0.82000 0.00000 -0.08000 0.00000 -0.05000 0.00000 2.38000 67.00000 CYK3_1QCF-4_22.PDB 6.34876 -7.48000 -0.23000 -0.00000 -10.03000 -0.11000 6.98000 -14.15000 3.65000 3.34000 2.78000 0.00000 0.00000 0.00000 0.66000 1.18000 0.00000 -0.20000 0.00000 -0.16000 0.00000 2.38000 67.00000 CYK3_1QCF-4_23.PDB 4.46137 -7.34000 -0.51000 -0.31000 -9.67000 0.03000 7.11000 -13.86000 4.48000 3.21000 2.18000 0.00000 0.00000 0.00000 0.16000 1.08000 0.00000 -0.10000 0.00000 -0.06000 0.00000 2.38000 67.00000 CYK3_1QCF-4_24.PDB 6.87441 -6.74000 -0.23000 -0.03000 -9.38000 -0.03000 6.80000 -13.46000 4.29000 3.08000 2.23000 0.00000 0.00000 0.00000 0.27000 0.88000 0.00000 -0.16000 0.00000 -0.13000 0.00000 2.38000 67.00000 CYK3_1QCF-4_25.PDB 4.96041 -6.47000 -1.13000 -0.97000 -9.88000 -0.00000 8.16000 -13.48000 4.06000 3.78000 3.04000 0.00000 0.00000 0.00000 0.27000 1.03000 0.00000 -0.21000 0.00000 -0.10000 0.00000 2.38000 67.00000 CYK3_1QCF-4_26.PDB 4.88319 -6.92000 -1.13000 -0.90000 -9.68000 0.04000 7.72000 -13.38000 4.04000 3.59000 3.04000 0.00000 0.00000 0.00000 0.24000 1.04000 0.00000 -0.47000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-4_27.PDB 4.41255 -6.95000 -0.52000 -0.27000 -9.34000 0.02000 6.94000 -13.21000 4.06000 2.95000 2.34000 0.00000 0.00000 0.00000 0.15000 1.01000 0.00000 -0.06000 0.00000 -0.03000 0.00000 2.38000 67.00000 CYK3_1QCF-4_28.PDB 5.93255 -8.23000 -0.23000 -0.02000 -9.68000 0.00000 6.90000 -13.69000 3.31000 3.25000 2.11000 0.00000 0.00000 0.00000 0.16000 1.00000 0.00000 -0.24000 0.00000 -0.10000 0.00000 2.38000 67.00000 CYK3_1QCF-4_29.PDB 5.51521 -8.10000 -0.22000 -0.03000 -9.02000 0.07000 6.32000 -12.89000 3.12000 2.70000 1.93000 0.00000 0.00000 0.00000 0.14000 0.92000 0.00000 -0.22000 0.00000 -0.00000 0.00000 2.38000 67.00000 CYK3_1QCF-4_30.PDB 5.92080 -7.57000 -0.86000 -0.63000 -9.63000 -0.01000 7.53000 -13.11000 3.06000 3.26000 2.93000 0.00000 0.00000 0.00000 0.19000 1.20000 0.00000 -0.23000 0.00000 -0.09000 0.00000 2.38000 67.00000