Botulinum Neurotoxin Type 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
 TYR-794   LEU-795  12.8 12.6 -4.7 3.9 40.0 37.8 -15.0
 LEU-795   MET-796  11.1 11.2 -2.3 -2.9 104.1 107.3 -5.5
 MET-796   ASN-797  8.3 8.7 -11.1 8.1 129.1 128.0 28.1
 ASN-797   SER-798  7.2 7.3 -5.7 5.7 81.9 85.3 55.2
 SER-798   MET-799  9.2 8.9 -0.2 11.2 18.8 20.0 -89.5
 MET-799   ILE-800  8.7 8.5 -14.6 12.4 66.2 65.1 39.6
 MET-799   ILE-800  8.7 8.5 -14.6 12.4 66.2 65.1 39.6

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
 MET-799   ILE-800  8.7 8.5 -14.6 12.4 66.2 65.1 39.6
 MET-799   ILE-800  8.7 8.5 -14.6 12.4 66.2 65.1 39.6
 ILE-800   PRO-801  5.3 5.4 8.3 -14.3 69.8 68.1 -5.9
 PRO-801   TYR-802  3.5 3.1 3.2 2.1 121.1 114.8 3.2
 TYR-802   GLY-803  6.2 5.7 22.6 -16.0 152.6 153.8 -23.8

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-875   SER-876  7.1 7.5 38.8 -18.2 67.2 60.8 66.2
 SER-876   ILE-877  4.7 5.4 17.5 -18.9 101.6 103.1 -50.0
 ILE-877   LEU-878  1.2 1.7 1.4 6.4 32.3 32.4 28.3

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
 GLU-924   VAL-925  9.9 9.4 -2.4 3.3 136.7 134.2 21.8
 VAL-925   ILE-926  8.1 7.4 8.2 -13.0 31.1 34.4 -47.0
 ILE-926   LEU-927  10.0 9.3 -7.6 16.8 135.5 139.8 15.5

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
 ALA-930   ILE-931  10.8 9.8 37.2 -36.6 99.4 96.2 -7.4
 ILE-931   VAL-932  7.1 6.2 -8.1 9.7 101.6 99.7 -38.8
 VAL-932   TYR-933  7.8 7.2 33.8 -40.8 132.8 142.2 24.9

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