D-Alanine--D-Alanine Ligase

(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
 ALA-108   ALA-109  2.9 3.3 -2.5 -2.4 20.2 24.1 33.9
 ALA-109   SER-110  2.1 2.4 6.2 -1.4 111.8 108.0 -18.6
 SER-110   ALA-111  5.9 6.2 9.1 -9.2 103.7 109.0 -7.1
 ALA-111   LEU-112  7.2 7.4 -7.1 5.1 35.5 27.0 7.6
 LEU-112   CYS-113  5.3 5.6 -1.6 -1.3 30.6 36.5 17.5
 ASP-115   LYS-116  9.5 9.9 4.2 -5.7 150.9 153.3 36.8
 LYS-116   ASP-117  9.2 9.5 -0.2 4.0 80.3 74.4 -40.7

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
 ALA-124   GLN-125  7.7 7.2 12.3 -7.7 108.5 106.3 3.9
 GLN-125   ALA-126  10.5 9.9 -8.5 12.1 84.7 87.0 8.9
 ALA-126   GLY-127  9.3 8.6 -8.0 -4.1 152.5 151.7 -78.5
 GLY-127   VAL-128  9.3 8.7 33.9 -23.4 63.7 64.9 68.1
 VAL-128   PRO-129  5.7 5.1 6.0 -1.7 52.6 48.4 33.3

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
 ALA-191   LEU-192  10.9 11.1 0.2 13.2 46.9 45.1 83.2
 LEU-192   SER-193  7.9 8.2 -27.9 42.4 122.4 124.8 109.9
 SER-193   PRO-194  8.5 9.7 -17.4 -17.1 153.8 145.9 -46.7

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