Multidrug Efflux Pump Subunit Acra

(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-94   GLN-95  6.1 7.5 28.2 -13.4 167.1 168.9 -57.2
 GLN-95   ILE-96  7.5 9.0 12.3 -26.4 89.0 102.3 41.4
 ILE-96   ASP-97  7.4 9.2 -20.3 5.1 36.5 18.3 42.5
 ASP-97   PRO-98  10.2 11.3 -0.8 9.8 33.0 43.9 -34.8
 PRO-98   ALA-99  8.9 8.8 -16.3 -13.4 47.6 27.2 82.0

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
 THR-174   LYS-175  2.7 4.4 -179.2 -172.4 86.0 46.7 10.6
 LYS-175   VAL-176  4.6 5.3 54.7 -23.0 114.8 126.9 -18.1
 VAL-176   THR-177  2.6 3.6 22.7 -38.8 99.2 101.6 23.9

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
 ALA-193   LEU-194  12.4 13.7 29.6 -51.8 136.6 148.2 56.7
 LEU-194   VAL-195  12.3 13.5 -29.6 20.7 103.9 104.1 -23.7
 VAL-195   GLN-196  9.6 10.8 13.0 -18.4 140.9 144.5 10.8

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
 ASN-197   GLY-198  8.5 9.0 -1.9 21.3 52.2 65.4 -17.2
 GLY-198   GLN-199  8.4 10.0 -21.3 -1.4 38.3 41.8 78.4
 GLN-199   ALA-200  9.6 11.6 -8.8 -11.4 29.0 35.6 40.2
 ALA-200   THR-201  10.4 12.0 24.6 10.4 118.9 127.8 -67.1
 THR-201   ALA-202  7.2 9.4 28.0 -35.1 49.6 67.5 -9.0
 ALA-202   LEU-203  4.1 5.8 3.0 -1.6 104.9 100.2 -18.9
 ALA-202   LEU-203  4.1 5.8 3.0 -1.6 104.9 100.2 -18.9

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
 ALA-202   LEU-203  4.1 5.8 3.0 -1.6 104.9 100.2 -18.9
 ALA-202   LEU-203  4.1 5.8 3.0 -1.6 104.9 100.2 -18.9
 LEU-203   ALA-204  2.3 3.3 9.5 -34.7 129.7 144.6 64.0
 ALA-204   THR-205  1.7 0.4 31.3 -44.2 97.7 98.1 39.4

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