Linear Gramicidin Synthase Subunit A

(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
 GLU-579   PHE-580  7.8 7.9 -5.3 6.2 152.9 156.1 0.4
 PHE-580   LEU-581  5.4 5.7 6.6 -17.1 71.1 68.9 -8.6
 LEU-581   GLY-582  4.3 4.8 38.0 -31.3 47.0 33.8 15.4
 GLY-582   ARG-583  1.9 2.3 -10.7 10.2 144.2 138.5 -2.2
 ARG-583   LEU-584  2.9 3.3 11.3 -12.6 49.2 53.0 4.2
 LEU-584   ASP-585  3.7 5.0 -22.0 21.8 137.7 148.5 -4.4
 ASP-585   ASN-586  1.2 2.9 0.0 10.3 108.8 100.9 16.6
 ASN-586   LEU-587  1.9 1.0 12.7 -4.0 85.7 82.2 -1.0
 LEU-587   VAL-588  4.1 4.6 48.5 -31.6 40.1 39.1 46.0
 VAL-588   LYS-589  6.6 6.9 10.0 -0.2 89.7 85.1 7.7

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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