Phosphoadenosine Phosphosulfate Reductase

(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
 LEU-19   ALA-20  15.8 15.6 8.2 -4.7 125.6 127.4 -62.5
 ALA-20   LEU-21  14.6 14.0 18.0 -28.2 74.5 73.5 -86.1
 LEU-21   ALA-22  11.0 10.7 16.7 3.5 24.8 25.4 302.3

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
 GLY-155   LEU-156  8.7 8.9 -18.4 19.9 43.0 40.6 14.6
 LEU-156   ARG-157  7.8 8.2 -0.7 -7.2 48.6 48.4 112.2
 ARG-157   ARG-158  6.0 6.4 -17.2 16.4 69.1 62.1 -51.3
 ARG-158   GLU-159  5.7 6.2 -24.7 12.0 33.5 31.3 92.1
 GLU-159   GLN-160  7.0 7.1 44.1 -39.4 86.3 90.6 -143.0
 GLN-160   SER-161  10.5 10.5 -117.7 35.8 75.7 81.3 471.0
 SER-161   GLY-162  12.9 13.7 122.3 26.4 94.9 38.4 776.1
 GLY-162   SER-163  11.6 14.2 50.0 81.5 26.9 89.1 -1842.1
 SER-163   ARG-164  9.6 14.1 -1.7 -54.6 73.0 120.2 178.8
 ARG-164   ALA-165  9.6 10.4 179.1 1.5 40.8 120.3 312.9
 ALA-165   ASN-166  9.9 9.1 -68.4 10.1 140.3 117.3 -729.4
 ASN-166   LEU-167  11.7 9.4 24.2 49.6 50.2 19.9 895.0
 LEU-167   PRO-168  8.6 7.8 46.4 -15.9 82.5 76.4 18.6
 PRO-168   VAL-169  6.6 6.0 15.5 -14.6 69.4 61.9 -46.5
 VAL-169   LEU-170  2.9 2.7 -5.9 -1.4 163.8 158.1 -53.6
 LEU-170   ALA-171  4.0 4.2 -17.8 17.3 97.2 96.3 32.7

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


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
 LEU-180   PRO-181  3.3 3.5 -4.3 7.5 117.6 116.7 30.2
 PRO-181   ILE-182  3.4 3.7 20.3 -28.0 5.8 7.0 -100.5
 ILE-182   ILE-183  4.7 4.6 -16.1 21.0 116.9 119.9 15.3

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