Hemoglobin-Based Blood Substitute

(All numbering and residues are taken from first PDB file)

Bending Residue Dihedral Analysis

Residue i Residue i+1 Distance of hinge axis to residue i in conformer 1 (A) Distance of hinge axis to residue i in conformer 2 (A) Change in psi (i) (deg) Change in phi (i+1) (deg) Angle of psi(i) axis to hinge axis conformer 1 (deg) Angle of psi(i) axis to hinge axis conformer 2 (deg) Percentage Progress  ALA-79   LEU-80  37.9 37.9 12.1 -5.1 95.5 90.1 -25.1  LEU-80   SER-81  34.5 34.6 7.4 -1.9 83.8 81.0 37.2  SER-81   ALA-82  35.8 35.8 -6.3 4.0 58.6 63.8 22.8  ALA-82   LEU-83  33.9 33.6 -8.3 9.4 109.8 110.7 2.1  LEU-83   SER-84  30.7 30.6 9.2 -4.8 28.7 30.4 28.8  SER-84   ASP-85  31.4 31.3 -15.0 9.3 81.3 82.9 -10.3  ASP-85   LEU-86  32.4 32.0 11.0 -3.8 70.9 72.8 44.2  ASP-85   LEU-86  32.4 32.0 11.0 -3.8 70.9 72.8 44.2 Graph shows rotational transition at bending residues and can be used to identify hinge bending residues. Probably only informative for interdomain rotations greater than 20 degrees

Residue i Residue i+1 Distance of hinge axis to residue i in conformer 1 (A) Distance of hinge axis to residue i in conformer 2 (A) Change in psi (i) (deg) Change in phi (i+1) (deg) Angle of psi(i) axis to hinge axis conformer 1 (deg) Angle of psi(i) axis to hinge axis conformer 2 (deg) Percentage Progress  ASP-85   LEU-86  32.4 32.0 11.0 -3.8 70.9 72.8 44.2  ASP-85   LEU-86  32.4 32.0 11.0 -3.8 70.9 72.8 44.2  LEU-86   HIS-87  29.2 28.6 -23.0 12.7 46.0 43.0 74.4  HIS-87   ALA-88  27.0 26.4 7.8 -13.9 133.8 140.3 68.9  ALA-88   HIS-89  29.1 28.4 -16.4 19.5 107.4 105.5 -16.5  HIS-89   LYS-90  29.9 29.9 -22.9 26.5 128.3 129.4 28.4  LYS-90   LEU-91  27.3 27.7 -4.1 3.8 71.1 70.8 21.1 Graph shows rotational transition at bending residues and can be used to identify hinge bending residues. Probably only informative for interdomain rotations greater than 20 degrees

Residue i Residue i+1 Distance of hinge axis to residue i in conformer 1 (A) Distance of hinge axis to residue i in conformer 2 (A) Change in psi (i) (deg) Change in phi (i+1) (deg) Angle of psi(i) axis to hinge axis conformer 1 (deg) Angle of psi(i) axis to hinge axis conformer 2 (deg) Percentage Progress  THR-134   VAL-135  30.7 30.8 -1.5 2.6 48.7 49.3 -56.8  VAL-135   LEU-136  32.8 32.8 3.5 -15.5 120.4 120.5 68.9  LEU-136   THR-137  29.9 30.0 10.0 -6.3 58.8 52.7 -53.9  THR-137   SER-138  29.2 29.0 12.9 -1.9 63.8 59.0 77.5  SER-138   LYS-139  32.8 32.6 -33.5 18.6 77.7 87.7 -20.0  LYS-139   TYR-140  33.4 33.5 33.8 -24.5 81.1 84.9 -47.8  TYR-140   ARG-141  30.5 30.7 -95.2 62.7 121.6 121.4 -205.8  ARG-141   GLY-142  32.8 31.6 119.7 146.9 88.3 58.0 -130.2  GLY-142   VAL-143  35.5 34.8 -1.5 133.4 150.8 95.1 1109.8  VAL-143   LEU-144  38.0 38.5 -52.2 -16.2 115.0 124.2 -671.2  LEU-144   SER-145  39.6 39.9 -18.3 11.6 65.1 64.5 6.8 Graph shows rotational transition at bending residues and can be used to identify hinge bending residues. Probably only informative for interdomain rotations greater than 20 degrees