Toxin 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
 VAL-867   SER-868  11.8 13.3 11.2 -6.7 135.7 141.3 -18.6
 SER-868   ASP-869  9.4 10.9 -21.4 -0.3 37.8 39.7 59.1
 ASP-869   GLU-870  12.0 13.6 10.0 7.2 86.7 81.4 16.9

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
 VAL-942   ASN-943  19.3 15.8 -161.7 -157.3 151.2 138.6 134.8
 ASN-943   GLY-944  21.6 16.4 99.5 125.6 40.7 22.3 -390.1
 GLN-951   LEU-952  7.3 15.4 -27.2 -36.2 88.5 83.8 15.4
 LEU-952   ASP-953  10.0 13.4 143.6 -51.7 96.2 159.7 -252.0
 ASP-953   HIS-954  8.7 12.1 150.4 131.1 21.7 85.9 -115.9
 HIS-954   THR-955  10.1 9.2 106.3 -37.9 65.6 141.3 -55.3
 THR-955   SER-956  8.0 8.3 106.7 0.7 62.0 83.9 429.0
 SER-956   GLN-957  4.6 6.5 -174.3 -101.3 142.9 48.0 92.0
 GLN-957   VAL-958  7.1 6.7 -169.6 117.9 143.0 99.2 -135.1
 VAL-958   ASN-959  7.9 8.0 -83.8 -11.5 110.0 147.8 -249.1
 ASN-959   THR-960  4.9 7.4 24.9 7.7 56.1 45.6 49.0

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-1023   LEU-1024  6.9 5.6 -7.3 -33.1 69.9 77.8 31.4
 LEU-1024   PRO-1025  7.8 7.0 -17.1 -1.7 32.4 81.7 49.2
 PRO-1025   THR-1026  9.3 10.5 14.6 39.1 82.9 49.6 73.0
 THR-1026   ILE-1027  13.0 13.1 -6.7 -0.4 50.0 67.1 8.4
 ILE-1027   THR-1028  15.2 16.5 179.0 -1.4 60.7 60.7 -304.7
 THR-1028   GLU-1029  17.8 19.5 29.7 15.9 18.1 116.4 86.0
 GLU-1029   GLY-1030  16.9 23.2 106.7 8.7 52.4 139.6 -100.1
 GLY-1030   ILE-1031  19.9 24.9 -158.5 16.9 78.8 37.6 488.6
 ILE-1031   PRO-1032  22.4 23.3 -2.0 3.1 54.2 98.3 -10.3
 PRO-1032   ILE-1033  25.4 19.8 75.8 59.6 144.6 126.6 -379.4
 ILE-1033   VAL-1034  25.2 17.1 -52.4 -12.6 40.4 39.0 161.1

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