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
 ASP-412   VAL-413  2.0 1.7 17.9 -34.3 140.7 149.1 170.2
 VAL-413   ALA-414  1.3 1.5 17.7 -6.7 80.0 76.7 -43.9
 ALA-414   LEU-415  4.4 4.9 6.3 6.6 135.0 133.8 -150.7
 LEU-415   GLU-416  7.2 7.9 8.9 -1.9 75.9 71.2 72.8
 GLU-416   PRO-417  11.0 11.7 11.4 -7.5 73.2 72.7 -24.6

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
 ILE-469   THR-470  10.4 11.2 -13.1 13.2 59.5 63.2 -17.7
 THR-470   VAL-471  12.7 13.4 4.3 6.9 39.0 38.7 153.5
 VAL-471   PRO-472  13.0 13.6 -2.9 -9.6 73.1 73.8 12.3
 PRO-472   ALA-473  16.5 17.2 -8.4 21.4 82.8 86.9 65.9

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
 THR-475   THR-476  15.4 16.2 16.3 0.3 80.1 71.0 -6.2
 THR-476   PRO-477  15.1 15.6 -7.3 -13.2 76.9 71.8 19.5
 PRO-477   GLY-478  13.0 13.3 8.0 140.9 55.2 39.3 887.4
 GLY-478   ARG-479  9.3 10.2 -6.5 -161.7 149.0 72.1 -1147.4

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  3.8 4.4 0.2 9.8 73.4 78.3 75.4
 THR-500   VAL-501  5.7 6.0 -0.5 -6.6 50.2 54.1 -19.3
 VAL-501   GLY-502  9.1 9.6 -3.6 -1.3 85.3 90.0 38.7

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