Thiol:disulfide Interchange Protein

(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  SER-17   ASP-18  10.7 8.3 -166.3 -13.1 84.6 55.4 -410.7  ASP-18   ILE-19  9.3 8.4 8.8 -35.3 164.8 146.6 102.1  ILE-19   GLN-20  11.2 10.8 7.8 -19.8 117.5 123.2 58.6  GLN-20   PRO-21  9.7 10.7 -1.8 -7.6 152.6 151.1 -22.3  GLN-20   PRO-21  9.7 10.7 -1.8 -7.6 152.6 151.1 -22.3 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  GLN-20   PRO-21  9.7 10.7 -1.8 -7.6 152.6 151.1 -22.3  GLN-20   PRO-21  9.7 10.7 -1.8 -7.6 152.6 151.1 -22.3  PRO-21   ALA-22  11.1 12.5 -21.2 44.6 125.5 126.9 111.6  ALA-22   PRO-23  9.7 10.3 8.7 8.0 27.9 29.4 83.5 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  TYR-52   ASP-53  4.4 4.2 -11.3 14.8 55.1 50.5 -16.1  ASP-53   VAL-54  2.9 2.9 9.7 -2.8 149.9 140.2 -58.6  VAL-54   SER-55  2.4 1.9 -19.2 -29.1 50.3 48.2 191.1  SER-55   GLY-56  3.9 3.6 18.5 4.6 102.2 70.6 55.2  GLY-56   THR-57  2.8 4.8 3.7 12.8 110.6 108.0 -42.7  THR-57   ALA-58  3.4 6.5 28.7 -69.1 56.6 80.1 -106.4  ALA-58   PRO-59  4.4 4.6 -0.6 19.9 128.5 125.4 88.5  PRO-59   VAL-60  3.6 2.8 -0.3 -15.5 150.5 167.1 -46.6  VAL-60   ASN-61  2.4 1.7 5.9 -18.0 46.7 55.8 -24.6 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