Para-Nitrobenzyl Esterase

(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
 ASP-309   GLU-310  3.0 3.2 -0.1 2.0 113.9 113.1 17.9
 GLU-310   GLY-311  2.1 2.3 -1.0 0.1 60.9 60.1 16.2
 GLY-311   TYR-312  2.8 2.7 -4.1 1.0 32.7 33.0 34.8

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
 ASP-328   ALA-329  18.1 18.5 -0.9 7.6 27.9 23.2 -70.3
 ALA-329   ALA-330  18.3 18.7 -0.6 4.0 62.4 67.7 -6.1
 ALA-330   LEU-331  14.6 14.9 -10.7 7.9 67.1 68.0 44.5
 LEU-331   GLU-332  14.9 14.8 3.5 -8.6 151.7 154.7 73.1
 GLU-332   TYR-333  17.5 17.2 10.1 -10.8 137.3 136.1 -4.8

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
 LEU-351   GLU-352  8.9 8.7 -2.7 3.7 119.9 120.5 20.3
 GLU-352   SER-353  6.9 6.7 1.4 -2.3 24.5 24.4 -16.4
 SER-353   GLN-354  9.4 9.2 -2.4 4.2 136.3 135.6 22.7

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
 MET-357   VAL-358  8.0 7.8 -5.2 3.8 51.1 51.6 50.4
 VAL-358   THR-359  5.8 5.4 -4.7 -0.8 68.2 67.8 50.2
 THR-359   ASP-360  2.8 2.5 -2.0 -0.5 46.5 46.9 22.4

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


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
 TRP-387   HIS-388  12.5 12.8 -4.7 -0.5 64.7 59.5 62.5
 HIS-388   PRO-389  11.8 12.0 -3.7 2.3 28.9 27.4 6.4
 PRO-389   GLU-390  13.4 13.5 -4.7 5.7 48.9 53.7 -33.1

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


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-395   LYS-396  8.5 8.5 1.5 -1.3 127.8 129.8 1.0
 LYS-396   ALA-397  6.4 6.5 -2.7 -3.4 26.5 29.0 70.6
 ALA-397   PHE-398  7.3 7.5 -0.5 1.5 61.2 61.9 8.3

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