Crispr-Associated Endonuclease Cas1

(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
 GLY-66   GLN-67  2.8 7.3 -20.4 -124.2 132.0 90.3 -75.3
 GLN-67   PRO-68  2.4 4.5 52.3 -0.4 50.0 123.4 -4.4
 PRO-68   GLY-69  1.7 2.3 13.5 147.1 39.7 59.9 69.4

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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