Aerolysin

(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
 LYS-198   THR-199  12.2 12.0 5.0 -20.2 70.7 72.4 -106.8
 THR-199   VAL-200  12.8 12.8 -23.0 28.6 140.8 155.4 69.5
 VAL-200   VAL-201  10.3 10.4 11.1 -8.3 51.1 53.6 -21.3
 VAL-201   GLY-202  12.2 12.4 -15.5 19.3 147.6 151.7 43.3
 GLY-202   TRP-203  11.8 11.9 -2.3 4.1 112.8 112.1 -12.5

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
 GLY-221   ASP-222  5.6 5.3 5.4 17.4 5.1 8.5 286.5
 ASP-222   THR-223  4.1 3.7 4.4 -24.4 75.2 74.0 -108.9
 THR-223   ALA-224  2.3 1.6 -25.1 30.1 166.3 174.2 62.7

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
 THR-273   THR-274  2.9 3.2 -40.7 49.4 162.3 157.2 108.4
 THR-274   THR-275  3.6 3.6 6.7 -19.8 76.7 85.2 -68.7
 THR-275   SER-276  6.0 5.7 -5.6 -2.7 165.5 171.7 -106.2
 SER-276   LEU-277  8.1 7.5 8.4 -17.0 62.5 72.1 39.9
 LEU-277   SER-278  9.1 8.8 1.1 -6.8 64.0 45.7 -16.4
 SER-278   GLN-279  12.6 11.9 31.6 -0.8 65.2 78.6 219.3
 GLN-279   SER-280  14.4 13.9 23.8 -25.6 35.1 36.8 -26.4
 SER-280   VAL-281  16.6 16.3 51.1 -50.4 68.2 78.2 -31.8
 VAL-281   ARG-282  18.7 19.0 12.1 8.2 38.9 42.6 153.2
 ARG-282   PRO-283  21.1 21.5 -2.0 12.9 122.1 137.2 57.5

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
 LYS-290   ILE-291  17.9 17.8 10.1 -18.4 42.4 42.8 -68.8
 ILE-291   PRO-292  18.8 18.7 6.3 -1.6 63.5 58.2 28.5
 PRO-292   VAL-293  17.1 17.3 -5.2 6.4 157.8 154.2 18.7
 VAL-293   LYS-294  15.5 15.6 12.3 -16.1 56.7 57.5 -16.8
 LYS-294   ILE-295  14.9 15.0 -6.3 2.1 150.9 151.3 -50.5

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
 LEU-297   TYR-298  10.6 10.5 -6.7 10.1 135.7 136.7 -6.0
 TYR-298   LYS-299  11.6 11.6 15.5 -3.8 48.5 51.1 64.6
 LYS-299   ALA-300  11.0 10.9 13.1 -10.5 45.8 43.7 63.0

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
 PRO-421   LEU-422  21.6 22.0 19.3 -23.2 77.4 77.8 -30.6
 LEU-441   ARG-442  16.6 16.1 -16.5 5.5 82.2 80.9 -53.2
 ARG-442   LEU-443  12.8 12.4 -2.3 -7.5 66.7 62.5 31.1
 LEU-443   GLU-444  10.4 10.5 -11.7 19.1 120.0 112.3 82.7
 GLU-444   ILE-445  8.7 8.6 -16.1 25.4 47.9 46.4 -83.3

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
 GLN-450   GLU-451  6.3 6.8 14.8 -6.3 122.8 118.7 -93.8
 GLU-451   LEU-452  7.3 7.7 -7.4 1.7 40.3 38.5 36.0
 LEU-452   SER-453  4.8 4.9 6.1 -17.5 144.5 137.2 113.7
 SER-453   GLY-454  4.5 4.8 13.7 -14.0 120.8 120.8 -10.7
 GLY-454   LEU-455  8.1 8.3 16.4 -11.5 127.8 128.3 -56.8
 LEU-455   GLY-456  7.8 7.7 0.3 1.2 136.3 136.9 -15.0
 GLY-456   PHE-457  4.7 4.7 -13.6 13.2 103.3 106.3 33.5
 PHE-457   ASN-458  2.2 2.2 -15.8 11.4 117.7 121.1 19.4
 ASN-458   ASN-459  1.6 1.8 15.0 -0.6 61.1 66.2 34.9
 ASN-459   VAL-460  4.2 4.2 -14.1 2.1 106.0 108.7 -109.8

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