Carboxylesterase Est2

(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-31   SER-32  10.3 9.9 2.0 27.0 100.1 108.4 -3.8
 SER-32   GLN-33  9.8 9.5 -14.7 33.5 27.1 6.3 194.1
 GLN-33   GLN-34  11.9 10.2 -1.6 61.9 35.9 70.5 -25.5
 GLN-34   SER-35  10.3 7.1 -157.6 54.9 98.7 77.9 3.2
 SER-35   LEU-36  6.9 5.3 -136.4 48.7 43.5 15.9 -138.9
 LEU-36   PHE-37  7.6 6.5 -17.7 69.5 85.3 55.5 -18.2
 PHE-37   PRO-38  5.5 3.5 44.7 29.3 91.3 97.4 84.6
 PRO-38   PRO-39  4.1 1.8 -19.8 5.6 82.8 114.8 -2.5
 PRO-39   VAL-40  5.7 3.4 39.0 -5.6 104.9 127.0 -6.9
 VAL-40   LYS-41  4.9 5.0 28.6 -9.4 76.5 73.8 2.2
 LYS-41   LYS-42  8.5 8.8 4.1 16.5 40.5 47.8 9.0

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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