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-7_1.PDB 3.71936 -11.15000 -0.70000 -1.96000 -7.78000 -0.16000 5.94000 -10.98000 0.37000 3.21000 1.31000 0.00000 0.00000 0.00000 0.09000 0.28000 0.00000 -0.29000 0.00000 -0.20000 0.00000 2.38000 65.00000 CYK3_1QCF-7_2.PDB 3.51609 -9.60000 -0.70000 -0.57000 -6.62000 -0.16000 4.09000 -9.88000 0.35000 2.91000 1.27000 0.00000 0.00000 0.00000 0.07000 0.27000 0.00000 -0.15000 0.00000 -0.21000 0.00000 2.38000 65.00000 CYK3_1QCF-7_3.PDB 4.00857 -10.61000 -0.91000 -0.78000 -7.55000 -0.10000 4.81000 -10.91000 0.45000 3.12000 1.50000 0.00000 0.00000 0.00000 0.07000 0.32000 0.00000 -0.18000 0.00000 -0.12000 0.00000 2.38000 65.00000 CYK3_1QCF-7_4.PDB 4.40247 -10.75000 -0.71000 -2.27000 -7.53000 -0.17000 4.93000 -10.93000 0.59000 4.26000 1.48000 0.00000 0.00000 0.00000 0.07000 0.32000 0.00000 -0.24000 0.00000 -0.22000 0.00000 2.38000 65.00000 CYK3_1QCF-7_5.PDB 3.55784 -9.71000 -0.70000 -0.56000 -6.78000 -0.07000 4.31000 -9.95000 0.30000 2.96000 0.96000 0.00000 0.00000 0.00000 0.10000 0.28000 0.00000 -0.18000 0.00000 -0.10000 0.00000 2.38000 65.00000 CYK3_1QCF-7_6.PDB 3.54927 -10.27000 -0.71000 -0.56000 -6.91000 -0.11000 4.25000 -10.25000 0.24000 2.97000 1.06000 0.00000 0.00000 0.00000 0.09000 0.30000 0.00000 -0.19000 0.00000 -0.13000 0.00000 2.38000 65.00000 CYK3_1QCF-7_7.PDB 3.64350 -10.78000 -0.70000 -2.23000 -7.44000 -0.12000 4.95000 -10.79000 0.24000 4.10000 1.64000 0.00000 0.00000 0.00000 0.09000 0.28000 0.00000 -0.34000 0.00000 -0.17000 0.00000 2.38000 65.00000 CYK3_1QCF-7_8.PDB 3.74580 -9.62000 -0.70000 -0.56000 -6.57000 -0.22000 4.18000 -9.77000 0.27000 2.90000 1.30000 0.00000 0.00000 0.00000 0.07000 0.27000 0.00000 -0.25000 0.00000 -0.25000 0.00000 2.38000 65.00000 CYK3_1QCF-7_9.PDB 3.37310 -11.01000 -0.92000 -2.49000 -7.67000 -0.10000 5.11000 -11.11000 0.42000 4.31000 1.85000 0.00000 0.00000 0.00000 0.07000 0.31000 0.00000 -0.32000 0.00000 -0.17000 0.00000 2.38000 65.00000 CYK3_1QCF-7_10.PDB 3.65556 -10.22000 -0.71000 -0.57000 -7.16000 -0.11000 4.31000 -10.58000 0.29000 3.16000 1.35000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -0.15000 0.00000 -0.11000 0.00000 2.38000 65.00000 CYK3_1QCF-7_11.PDB 4.00542 -9.79000 -0.73000 -2.07000 -8.38000 -0.12000 6.04000 -12.10000 3.17000 3.35000 1.51000 0.00000 0.00000 0.00000 0.17000 0.37000 0.00000 -0.48000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-7_12.PDB 3.63594 -10.10000 -0.71000 -0.56000 -6.91000 -0.15000 4.21000 -10.28000 0.27000 3.08000 1.14000 0.00000 0.00000 0.00000 0.09000 0.29000 0.00000 -0.12000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-7_13.PDB 3.56752 -11.17000 -0.92000 -2.50000 -7.67000 -0.14000 5.07000 -11.18000 0.45000 4.33000 1.85000 0.00000 0.00000 0.00000 0.07000 0.29000 0.00000 -0.35000 0.00000 -0.18000 0.00000 2.38000 65.00000 CYK3_1QCF-7_14.PDB 3.58127 -8.02000 -0.72000 -0.59000 -7.53000 -0.07000 4.54000 -11.35000 3.55000 3.19000 1.21000 0.00000 0.00000 0.00000 0.07000 0.35000 0.00000 -0.22000 0.00000 -0.10000 0.00000 2.38000 65.00000 CYK3_1QCF-7_15.PDB 4.05057 -9.12000 -0.69000 -2.30000 -7.69000 -0.12000 4.74000 -11.58000 2.96000 4.27000 1.67000 0.00000 0.00000 0.00000 0.13000 0.33000 0.00000 -0.36000 0.00000 -0.17000 0.00000 2.38000 65.00000 CYK3_1QCF-7_16.PDB 3.79385 -9.02000 -0.70000 -2.27000 -7.91000 -0.10000 4.88000 -11.91000 3.19000 4.34000 1.82000 0.00000 0.00000 0.00000 0.13000 0.34000 0.00000 -0.31000 0.00000 -0.17000 0.00000 2.38000 65.00000 CYK3_1QCF-7_17.PDB 3.58830 -10.60000 -0.70000 -0.57000 -7.65000 -0.09000 4.70000 -11.44000 0.42000 3.65000 1.31000 0.00000 0.00000 0.00000 0.07000 0.28000 0.00000 -0.20000 0.00000 -0.10000 0.00000 2.38000 65.00000 CYK3_1QCF-7_18.PDB 4.22148 -8.41000 -0.71000 -0.56000 -7.36000 -0.11000 4.24000 -11.24000 3.10000 3.18000 1.31000 0.00000 0.00000 0.00000 0.15000 0.34000 0.00000 -0.29000 0.00000 -0.11000 0.00000 2.38000 65.00000 CYK3_1QCF-7_19.PDB 3.90523 -10.21000 -0.70000 -2.02000 -7.95000 -0.17000 6.29000 -11.11000 0.95000 3.19000 1.64000 0.00000 0.00000 0.00000 0.15000 0.30000 0.00000 -0.28000 0.00000 -0.21000 0.00000 2.38000 65.00000 CYK3_1QCF-7_20.PDB 3.67521 -9.92000 -0.70000 -0.57000 -6.82000 -0.08000 4.10000 -10.15000 0.36000 3.00000 1.12000 0.00000 0.00000 0.00000 0.08000 0.28000 0.00000 -0.16000 0.00000 -0.10000 0.00000 2.38000 65.00000 CYK3_1QCF-7_21.PDB 3.66646 -9.93000 -0.70000 -0.55000 -7.06000 -0.04000 4.38000 -10.35000 0.26000 3.09000 1.26000 0.00000 0.00000 0.00000 0.08000 0.31000 0.00000 -0.26000 0.00000 -0.05000 0.00000 2.38000 65.00000 CYK3_1QCF-7_22.PDB 3.70377 -9.50000 -0.93000 -2.00000 -7.37000 -0.22000 5.52000 -10.29000 0.78000 3.80000 1.79000 0.00000 0.00000 0.00000 0.10000 0.32000 0.00000 -0.38000 0.00000 -0.31000 0.00000 2.38000 65.00000 CYK3_1QCF-7_23.PDB 3.70068 -9.81000 -0.68000 -1.70000 -7.39000 -0.10000 5.42000 -10.58000 0.29000 3.85000 1.71000 0.00000 0.00000 0.00000 0.06000 0.28000 0.00000 -0.55000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-7_24.PDB 3.39712 -9.54000 -0.70000 -0.57000 -6.77000 -0.12000 4.28000 -10.01000 0.30000 2.95000 1.29000 0.00000 0.00000 0.00000 0.06000 0.28000 0.00000 -0.11000 0.00000 -0.14000 0.00000 2.38000 65.00000 CYK3_1QCF-7_25.PDB 3.83028 -10.87000 -0.74000 -2.04000 -7.24000 -0.24000 5.54000 -10.27000 0.44000 2.92000 1.27000 0.00000 0.00000 0.00000 0.05000 0.27000 0.00000 -0.27000 0.00000 -0.30000 0.00000 2.38000 65.00000 CYK3_1QCF-7_26.PDB 3.72114 -9.67000 -0.69000 -0.55000 -6.94000 -0.04000 4.40000 -10.14000 0.36000 2.94000 1.16000 0.00000 0.00000 0.00000 0.07000 0.28000 0.00000 -0.19000 0.00000 -0.06000 0.00000 2.38000 65.00000 CYK3_1QCF-7_27.PDB 4.03039 -8.45000 -0.71000 -0.56000 -7.28000 -0.09000 4.20000 -11.16000 2.82000 3.18000 1.32000 0.00000 0.00000 0.00000 0.14000 0.34000 0.00000 -0.22000 0.00000 -0.10000 0.00000 2.38000 65.00000 CYK3_1QCF-7_28.PDB 3.68540 -9.58000 -0.69000 -0.56000 -6.82000 -0.15000 4.34000 -10.05000 0.19000 3.00000 1.36000 0.00000 0.00000 0.00000 0.07000 0.28000 0.00000 -0.10000 0.00000 -0.17000 0.00000 2.38000 65.00000 CYK3_1QCF-7_29.PDB 3.68874 -11.06000 -0.91000 -2.26000 -8.11000 -0.11000 6.42000 -10.90000 0.45000 3.19000 1.54000 0.00000 0.00000 0.00000 0.08000 0.29000 0.00000 -0.30000 0.00000 -0.16000 0.00000 2.38000 65.00000 CYK3_1QCF-7_30.PDB 3.85398 -9.71000 -0.94000 -0.84000 -7.27000 -0.12000 4.73000 -10.26000 0.87000 2.84000 1.40000 0.00000 0.00000 0.00000 0.11000 0.33000 0.00000 -0.09000 0.00000 -0.15000 0.00000 2.38000 65.00000