Thiol:disulfide Interchange Protein Dsbc

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