Bacterial Sialidase

(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
 VAL-413   ALA-414  1.6 1.8 -10.6 7.0 28.2 36.3 37.6
 ALA-414   LEU-415  2.2 1.9 4.0 -21.2 103.2 107.8 -73.7
 LEU-415   GLU-416  5.2 4.6 -22.1 11.4 21.4 15.9 103.8
 GLU-416   PRO-417  6.9 6.4 0.5 -21.0 125.0 116.8 59.2
 PRO-417   GLY-418  6.9 6.7 11.5 13.2 84.3 89.2 -38.1
 GLY-418   GLN-419  10.3 10.3 -15.9 12.4 158.5 158.4 3.7
 GLN-419   GLN-420  10.4 10.0 -24.5 18.7 112.3 110.0 -32.4
 GLN-420   VAL-421  11.1 11.2 -3.7 -3.6 156.9 156.6 -87.1

Downloading Image

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


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
 VAL-499   THR-500  3.4 3.5 -5.6 8.1 49.7 50.7 10.8
 THR-500   VAL-501  1.3 1.5 6.0 -0.7 117.3 118.4 6.8
 VAL-501   GLY-502  1.5 1.3 -6.6 -14.2 64.1 68.3 71.2
 GLY-502   LEU-503  4.9 5.0 5.8 16.4 83.5 89.5 -88.9
 LEU-503   LEU-504  6.2 6.3 12.2 -3.4 31.8 34.8 108.7

Downloading Image

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