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 1AYA2_1.PDB 4.69758 -17.08000 -5.49000 -7.42000 -15.39000 -3.20000 22.52000 -18.85000 1.41000 4.62000 6.52000 0.00000 0.00000 0.00000 0.55000 2.05000 -0.06000 -1.17000 0.00000 -1.12000 0.00000 2.38000 110.00000 1AYA2_2.PDB 4.44596 -17.26000 -6.03000 -8.69000 -15.14000 -2.79000 21.84000 -18.64000 1.17000 5.84000 6.94000 0.00000 0.00000 0.00000 0.51000 1.94000 -0.04000 -1.19000 0.00000 -1.04000 0.00000 2.38000 110.00000 1AYA2_3.PDB 4.23586 -18.84000 -5.94000 -10.24000 -15.87000 -3.38000 23.63000 -19.14000 1.49000 6.19000 6.67000 0.00000 0.00000 0.00000 0.49000 2.02000 -0.04000 -1.45000 0.00000 -1.23000 0.00000 2.38000 110.00000 1AYA2_4.PDB 4.48830 -18.88000 -6.73000 -10.63000 -15.59000 -3.39000 23.67000 -18.67000 1.38000 6.75000 6.32000 0.00000 0.00000 0.00000 0.50000 1.96000 -0.04000 -1.27000 0.00000 -1.17000 0.00000 2.38000 110.00000 1AYA2_5.PDB 4.35278 -17.08000 -5.92000 -8.39000 -16.35000 -3.37000 24.38000 -19.57000 0.62000 6.60000 7.07000 0.00000 0.00000 0.00000 0.45000 2.10000 -0.04000 -1.32000 0.00000 -1.23000 0.00000 2.38000 110.00000 1AYA2_6.PDB 4.27049 -17.23000 -6.75000 -9.59000 -15.43000 -3.21000 23.47000 -18.54000 1.57000 6.57000 6.75000 0.00000 0.00000 0.00000 0.41000 1.98000 -0.04000 -1.32000 0.00000 -1.14000 0.00000 2.38000 110.00000 1AYA2_7.PDB 4.37514 -16.99000 -6.00000 -8.73000 -14.88000 -2.73000 21.67000 -18.31000 1.24000 5.83000 6.78000 0.00000 0.00000 0.00000 0.51000 1.82000 -0.04000 -1.29000 0.00000 -1.04000 0.00000 2.38000 110.00000 1AYA2_8.PDB 4.77359 -14.48000 -5.56000 -6.36000 -15.82000 -3.28000 23.78000 -19.05000 0.64000 6.16000 7.28000 0.00000 0.00000 0.00000 0.51000 1.92000 -0.04000 -1.54000 0.00000 -1.22000 0.00000 2.38000 110.00000 1AYA2_9.PDB 4.43121 -16.92000 -6.75000 -10.46000 -15.66000 -3.29000 23.93000 -18.74000 1.62000 6.68000 7.43000 0.00000 0.00000 0.00000 0.49000 2.06000 -0.04000 -1.00000 0.00000 -1.12000 0.00000 2.38000 110.00000 1AYA2_10.PDB 4.59882 -17.57000 -6.05000 -9.65000 -15.30000 -3.08000 23.09000 -18.74000 1.32000 6.12000 6.73000 0.00000 0.00000 0.00000 0.56000 1.90000 -0.04000 -1.32000 0.00000 -1.21000 0.00000 2.38000 110.00000 1AYA2_11.PDB 4.17644 -16.43000 -6.06000 -8.89000 -15.28000 -2.92000 22.79000 -18.40000 1.41000 6.06000 6.83000 0.00000 0.00000 0.00000 0.50000 1.93000 -0.04000 -1.24000 0.00000 -1.20000 0.00000 2.38000 110.00000 1AYA2_12.PDB 4.96204 -16.38000 -6.04000 -8.72000 -15.75000 -3.12000 23.76000 -19.00000 1.49000 6.17000 6.61000 0.00000 0.00000 0.00000 0.62000 1.88000 -0.04000 -1.11000 0.00000 -1.25000 0.00000 2.38000 110.00000 1AYA2_13.PDB 4.53242 -16.10000 -5.89000 -7.07000 -15.10000 -2.92000 22.24000 -18.26000 0.51000 5.16000 6.97000 0.00000 0.00000 0.00000 0.46000 1.90000 -0.04000 -1.10000 0.00000 -1.06000 0.00000 2.38000 110.00000 1AYA2_14.PDB 4.40596 -17.43000 -6.67000 -10.31000 -15.56000 -3.31000 24.03000 -18.72000 1.83000 6.51000 7.07000 0.00000 0.00000 0.00000 0.51000 1.89000 -0.04000 -1.64000 0.00000 -1.12000 0.00000 2.38000 110.00000 1AYA2_15.PDB 4.61137 -15.10000 -6.85000 -8.69000 -15.43000 -3.01000 23.84000 -18.42000 0.57000 6.66000 7.56000 0.00000 0.00000 0.00000 0.50000 1.91000 -0.04000 -0.67000 0.00000 -1.12000 0.00000 2.38000 110.00000 1AYA2_16.PDB 4.78000 -16.37000 -6.00000 -7.29000 -15.14000 -2.92000 21.92000 -18.62000 0.83000 5.44000 7.33000 0.00000 0.00000 0.00000 0.50000 2.03000 -0.04000 -1.23000 0.00000 -1.13000 0.00000 2.38000 110.00000 1AYA2_17.PDB 4.34450 -16.52000 -5.94000 -9.53000 -15.72000 -3.28000 23.95000 -18.96000 1.63000 5.95000 7.38000 0.00000 0.00000 0.00000 0.49000 2.04000 -0.04000 -1.27000 0.00000 -1.18000 0.00000 2.38000 110.00000 1AYA2_18.PDB 4.55237 -15.86000 -6.77000 -8.67000 -15.56000 -3.13000 24.17000 -18.51000 0.67000 6.42000 7.26000 0.00000 0.00000 0.00000 0.51000 1.87000 -0.04000 -1.16000 0.00000 -1.07000 0.00000 2.38000 110.00000 1AYA2_19.PDB 5.10425 -10.15000 -4.05000 -0.89000 -12.92000 -0.41000 14.71000 -17.16000 0.46000 4.87000 6.40000 0.00000 0.00000 0.00000 0.67000 1.45000 0.12000 -1.75000 0.00000 -0.21000 0.00000 2.38000 110.00000 1AYA2_20.PDB 5.07855 -10.30000 -4.14000 -2.54000 -12.52000 -0.23000 14.00000 -16.52000 1.15000 5.79000 6.01000 0.00000 0.00000 0.00000 0.49000 1.38000 0.12000 -1.64000 0.00000 -0.27000 0.00000 2.38000 110.00000 1AYA2_21.PDB 5.45775 -9.88000 -4.07000 -0.95000 -12.96000 -0.45000 14.96000 -17.05000 0.69000 4.53000 6.97000 0.00000 0.00000 0.00000 0.46000 1.52000 0.12000 -1.79000 0.00000 -0.33000 0.00000 2.38000 110.00000 1AYA2_22.PDB 5.21672 -9.61000 -4.14000 -0.92000 -13.57000 -0.36000 15.45000 -17.61000 0.75000 5.17000 6.68000 0.00000 0.00000 0.00000 0.55000 1.61000 0.12000 -1.58000 0.00000 -0.16000 0.00000 2.38000 110.00000 1AYA2_23.PDB 4.91354 -16.92000 -5.89000 -7.62000 -15.46000 -4.32000 23.88000 -18.41000 0.90000 6.17000 5.82000 0.00000 0.00000 0.00000 0.48000 1.78000 -0.04000 -0.99000 0.00000 -1.42000 0.00000 2.38000 110.00000 1AYA2_24.PDB 5.51650 -9.90000 -4.70000 -1.54000 -12.77000 -0.33000 15.33000 -16.71000 0.50000 5.05000 6.23000 0.00000 0.00000 0.00000 0.67000 1.43000 0.12000 -1.66000 0.00000 -0.08000 0.00000 2.38000 110.00000 1AYA2_25.PDB 4.64883 -17.40000 -5.98000 -8.71000 -15.59000 -3.36000 23.60000 -18.30000 1.10000 5.91000 6.09000 0.00000 0.00000 0.00000 0.44000 2.06000 -0.04000 -1.31000 0.00000 -1.24000 0.00000 2.38000 110.00000 1AYA2_26.PDB 4.96805 -10.03000 -4.92000 -3.38000 -12.72000 -0.19000 15.36000 -16.47000 1.09000 5.81000 6.62000 0.00000 0.00000 0.00000 0.46000 1.49000 0.12000 -1.55000 0.00000 -0.27000 0.00000 2.38000 110.00000 1AYA2_27.PDB 4.56459 -15.29000 -6.01000 -8.93000 -15.04000 -2.95000 22.20000 -18.09000 2.61000 5.44000 7.35000 0.00000 0.00000 0.00000 0.41000 2.17000 -0.04000 -1.19000 0.00000 -1.05000 0.00000 2.38000 110.00000 1AYA2_28.PDB 4.84542 -17.46000 -5.89000 -10.31000 -15.44000 -3.30000 23.58000 -18.23000 1.74000 5.79000 6.83000 0.00000 0.00000 0.00000 0.51000 2.01000 -0.04000 -1.50000 0.00000 -1.21000 0.00000 2.38000 110.00000 1AYA2_29.PDB 4.55254 -11.90000 -7.10000 -7.57000 -13.52000 -2.81000 21.79000 -15.99000 3.10000 5.17000 6.82000 0.00000 0.00000 0.00000 0.43000 1.60000 -0.05000 -1.16000 0.00000 -1.02000 0.00000 2.38000 110.00000 1AYA2_30.PDB 4.83431 -17.04000 -6.51000 -9.44000 -14.72000 -2.92000 21.93000 -17.62000 1.48000 5.67000 6.89000 0.00000 0.00000 0.00000 0.46000 1.89000 -0.04000 -1.25000 0.00000 -0.97000 0.00000 2.38000 110.00000