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 1AYB2_1.PDB 6.55603 -14.63000 -4.01000 -1.71000 -15.59000 -4.57000 18.72000 -20.81000 2.72000 6.40000 7.72000 0.00000 0.00000 0.00000 0.23000 1.05000 -0.42000 -1.65000 0.00000 -1.65000 0.00000 2.38000 108.00000 1AYB2_2.PDB 6.35505 -15.53000 -3.86000 -1.77000 -15.52000 -4.28000 18.47000 -20.75000 1.60000 6.11000 7.28000 0.00000 0.00000 0.00000 0.66000 1.21000 -0.47000 -1.45000 0.00000 -1.55000 0.00000 2.38000 108.00000 1AYB2_3.PDB 5.37461 -14.13000 -3.95000 -0.87000 -15.29000 -3.79000 17.52000 -20.69000 2.35000 6.39000 7.23000 0.00000 0.00000 0.00000 0.38000 1.12000 -0.41000 -1.53000 0.00000 -1.45000 0.00000 2.38000 108.00000 1AYB2_4.PDB 5.43734 -13.34000 -3.95000 -0.70000 -15.06000 -3.90000 17.40000 -20.00000 2.89000 6.03000 7.42000 0.00000 0.00000 0.00000 0.28000 1.04000 -0.44000 -1.98000 0.00000 -1.34000 0.00000 2.38000 108.00000 1AYB2_5.PDB 4.57885 -15.26000 -3.91000 -0.36000 -14.79000 -3.03000 15.34000 -20.13000 1.26000 6.13000 7.23000 0.00000 0.00000 0.00000 0.24000 0.93000 -0.28000 -1.54000 0.00000 -1.43000 0.00000 2.38000 108.00000 1AYB2_6.PDB 6.30219 -10.27000 -3.86000 -1.02000 -12.46000 -4.29000 16.61000 -15.95000 1.65000 5.18000 6.34000 0.00000 0.00000 0.00000 1.26000 0.95000 -0.43000 -1.82000 0.00000 -1.48000 0.00000 2.38000 108.00000 1AYB2_7.PDB 7.25783 -13.62000 -3.93000 -1.64000 -15.54000 -4.26000 18.69000 -20.56000 2.60000 6.28000 7.04000 0.00000 0.00000 0.00000 1.05000 1.24000 -0.47000 -1.31000 0.00000 -1.56000 0.00000 2.38000 108.00000 1AYB2_8.PDB 4.99707 -9.12000 -3.84000 -3.41000 -12.36000 -3.20000 15.96000 -15.82000 3.27000 6.35000 6.61000 0.00000 0.00000 0.00000 0.21000 1.09000 -0.25000 -1.06000 0.00000 -1.58000 0.00000 2.38000 108.00000 1AYB2_9.PDB 4.60411 -16.79000 -3.99000 -2.22000 -15.27000 -4.87000 18.06000 -20.08000 1.31000 6.69000 7.51000 0.00000 0.00000 0.00000 0.30000 1.13000 -0.47000 -1.79000 0.00000 -1.95000 0.00000 2.38000 108.00000 1AYB2_10.PDB 5.20705 -12.29000 -3.88000 -0.86000 -13.74000 -4.42000 17.13000 -17.91000 2.82000 5.46000 6.68000 0.00000 0.00000 0.00000 0.15000 0.98000 -0.45000 -1.68000 0.00000 -1.61000 0.00000 2.38000 108.00000 1AYB2_11.PDB 4.92857 -14.11000 -3.94000 -1.02000 -13.54000 -3.33000 15.50000 -18.04000 2.10000 4.95000 6.08000 0.00000 0.00000 0.00000 0.32000 0.90000 -0.46000 -1.36000 0.00000 -1.37000 0.00000 2.38000 108.00000 1AYB2_12.PDB 6.09463 -13.14000 -3.95000 -1.27000 -13.75000 -4.23000 18.13000 -17.70000 0.68000 5.20000 6.71000 0.00000 0.00000 0.00000 0.30000 0.90000 -0.44000 -1.38000 0.00000 -1.44000 0.00000 2.38000 108.00000 1AYB2_13.PDB 4.29341 -15.69000 -3.90000 -1.77000 -14.61000 -4.52000 17.87000 -19.21000 1.10000 5.97000 7.15000 0.00000 0.00000 0.00000 0.15000 0.97000 -0.47000 -1.87000 0.00000 -1.57000 0.00000 2.38000 108.00000 1AYB2_14.PDB 5.67085 -10.73000 -3.90000 -1.74000 -12.28000 -3.32000 15.03000 -15.76000 3.21000 5.04000 6.24000 0.00000 0.00000 0.00000 0.19000 0.99000 -0.50000 -1.62000 0.00000 -1.33000 0.00000 2.38000 108.00000 1AYB2_15.PDB 5.81177 -14.63000 -3.85000 -1.02000 -14.41000 -3.22000 15.81000 -19.54000 2.64000 5.56000 6.64000 0.00000 0.00000 0.00000 0.31000 0.96000 -0.45000 -1.78000 0.00000 -1.33000 0.00000 2.38000 108.00000 1AYB2_16.PDB 5.93896 -15.59000 -4.00000 -1.68000 -13.87000 -3.51000 15.70000 -17.94000 1.29000 5.00000 6.29000 0.00000 0.00000 0.00000 0.58000 0.98000 -0.51000 -1.60000 0.00000 -1.34000 0.00000 2.38000 108.00000 1AYB2_17.PDB 5.24110 -12.91000 -4.01000 -0.90000 -15.13000 -4.29000 18.25000 -20.20000 3.12000 6.61000 7.12000 0.00000 0.00000 0.00000 0.18000 1.18000 -0.45000 -1.72000 0.00000 -1.50000 0.00000 2.38000 108.00000 1AYB2_18.PDB 6.73465 -9.14000 -3.81000 -2.08000 -10.74000 -4.86000 16.90000 -12.56000 0.67000 4.48000 5.81000 0.00000 0.00000 0.00000 0.70000 0.94000 -0.44000 -1.38000 0.00000 -1.84000 0.00000 2.38000 108.00000 1AYB2_19.PDB 5.88271 -16.19000 -3.94000 -0.85000 -14.77000 -2.96000 15.93000 -19.79000 1.45000 5.35000 5.98000 0.00000 0.00000 0.00000 0.23000 0.97000 -0.52000 -1.16000 0.00000 -1.15000 0.00000 2.38000 108.00000 1AYB2_20.PDB 5.85155 -13.41000 -4.00000 -0.24000 -14.14000 -4.42000 17.39000 -17.87000 1.13000 5.41000 6.90000 0.00000 0.00000 0.00000 0.26000 1.03000 -0.44000 -1.85000 0.00000 -1.55000 0.00000 2.38000 108.00000 1AYB2_21.PDB 5.31207 -13.57000 -3.95000 -0.91000 -15.44000 -4.61000 18.77000 -20.38000 2.20000 6.64000 7.44000 0.00000 0.00000 0.00000 0.29000 0.97000 -0.44000 -1.52000 0.00000 -1.66000 0.00000 2.38000 108.00000 1AYB2_22.PDB 5.74442 -11.52000 -3.87000 -1.70000 -12.37000 -3.24000 15.39000 -15.89000 2.39000 4.66000 6.07000 0.00000 0.00000 0.00000 0.25000 1.01000 -0.51000 -1.37000 0.00000 -1.33000 0.00000 2.38000 108.00000 1AYB2_23.PDB 5.25645 -15.74000 -3.96000 -1.73000 -14.84000 -3.15000 16.20000 -19.74000 2.33000 5.65000 6.75000 0.00000 0.00000 0.00000 0.53000 1.02000 -0.50000 -1.94000 0.00000 -1.36000 0.00000 2.38000 108.00000 1AYB2_24.PDB 4.56482 -15.57000 -5.77000 -4.26000 -16.15000 -3.12000 19.94000 -21.22000 2.48000 6.82000 8.67000 0.00000 0.00000 0.00000 0.15000 1.21000 -0.47000 -1.03000 0.00000 -1.63000 0.00000 2.38000 108.00000 1AYB2_25.PDB 5.83444 -8.48000 -3.85000 -1.39000 -13.24000 -4.11000 17.22000 -17.34000 4.21000 5.79000 6.65000 0.00000 0.00000 0.00000 0.63000 1.18000 -0.42000 -1.11000 0.00000 -1.53000 0.00000 2.38000 108.00000 1AYB2_26.PDB 5.21726 -10.47000 -3.87000 -1.77000 -11.65000 -4.41000 16.99000 -13.86000 0.93000 4.57000 6.19000 0.00000 0.00000 0.00000 0.14000 1.07000 -0.47000 -1.73000 0.00000 -1.53000 0.00000 2.38000 108.00000 1AYB2_27.PDB 6.06889 -13.70000 -5.55000 -4.34000 -15.12000 -3.64000 20.60000 -19.26000 2.18000 5.99000 8.27000 0.00000 0.00000 0.00000 0.17000 1.00000 -0.14000 -1.47000 0.00000 -1.38000 0.00000 2.38000 108.00000 1AYB2_28.PDB 5.36566 -16.06000 -3.90000 -1.77000 -15.40000 -4.46000 18.49000 -20.57000 0.95000 6.66000 7.43000 0.00000 0.00000 0.00000 0.69000 1.09000 -0.47000 -2.15000 0.00000 -1.57000 0.00000 2.38000 108.00000 1AYB2_29.PDB 6.41526 -15.12000 -3.98000 -1.54000 -15.43000 -3.09000 16.57000 -20.44000 4.08000 5.73000 5.84000 0.00000 0.00000 0.00000 0.28000 1.08000 -0.52000 -1.43000 0.00000 -1.18000 0.00000 2.38000 108.00000 1AYB2_30.PDB 4.56172 -14.81000 -4.05000 -1.86000 -15.97000 -4.52000 18.99000 -21.20000 2.68000 7.04000 7.50000 0.00000 0.00000 0.00000 0.23000 1.38000 -0.44000 -1.57000 0.00000 -1.66000 0.00000 2.38000 108.00000