Diphtheria Toxin

(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
 ARG-377   PRO-378  20.8 20.6 -11.6 -1.7 95.0 98.6 3.0
 PRO-378   ALA-379  18.5 18.7 -12.8 -81.1 74.6 86.2 9.2
 ALA-379   TYR-380  15.1 15.0 41.1 -25.3 39.6 94.3 7.0
 TYR-380   SER-381  12.6 12.5 -4.9 -67.2 82.6 20.2 17.7
 SER-381   PRO-382  9.7 12.2 78.6 0.3 144.1 88.6 -16.6
 PRO-382   GLY-383  8.6 9.0 179.8 165.1 88.7 63.7 -8.6
 GLY-383   HIS-384  5.8 9.0 -142.3 -33.0 110.1 153.5 -91.1
 HIS-384   LYS-385  2.1 10.4 6.3 149.7 40.9 51.6 65.8
 LYS-385   THR-386  1.3 8.5 -130.1 40.5 94.6 67.8 8.9
 THR-386   GLN-387  3.0 4.8 -143.9 -16.9 6.3 24.9 94.3
 GLN-387   PRO-388  4.6 5.9 5.3 12.5 120.6 130.7 -7.5
 PRO-388   PHE-389  3.5 4.0 -9.7 -14.2 44.0 41.5 6.4

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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