Monomeric Diphtheria Toxin 3

(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 -10.1 3.4 91.8 99.1 -2.6
 PRO-378   ALA-379  18.5 18.6 7.5 -90.5 103.3 97.6 14.4
 ALA-379   TYR-380  15.0 15.1 39.9 -34.7 40.4 90.8 5.3
 TYR-380   SER-381  12.4 12.5 7.4 -62.2 95.6 157.5 15.6
 SER-381   PRO-382  9.7 12.1 71.2 -1.6 144.3 90.5 -17.0
 PRO-382   GLY-383  8.5 9.1 172.7 151.0 87.0 60.4 -16.0
 GLY-383   HIS-384  5.8 8.8 -133.8 -25.1 102.9 149.2 -80.3
 HIS-384   LYS-385  2.1 10.3 9.4 135.2 39.5 50.4 60.7
 LYS-385   THR-386  1.2 8.6 -108.6 28.5 90.9 70.8 13.7
 THR-386   GLN-387  3.1 5.0 -145.1 -14.6 4.7 22.8 90.5
 GLN-387   PRO-388  4.5 6.0 4.8 1.3 119.2 125.3 3.3
 PRO-388   PHE-389  3.2 3.9 1.5 -9.2 133.4 140.8 3.3

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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