Nadp-Dependent Malic Enzyme

(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
 GLY-237   MET-238  9.5 9.4 9.1 -3.5 94.8 92.9 35.3
 MET-238   ASN-239  6.1 6.0 2.6 -1.7 34.4 26.5 -7.2
 ASN-239   CYS-240  5.5 6.0 2.3 -13.3 54.7 56.0 -46.1
 CYS-240   LEU-241  5.7 6.0 -9.7 10.8 92.0 91.4 13.5

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-252   PHE-253  15.5 15.7 1.6 -6.1 112.8 108.5 49.9
 PHE-253   ARG-254  15.3 15.4 8.9 -6.7 144.2 150.8 -0.9
 ARG-254   LEU-255  14.1 14.4 2.5 2.3 80.4 82.6 -27.2
 LEU-255   LEU-256  11.4 11.8 -12.9 11.0 118.2 115.3 28.2
 LEU-256   ASN-257  10.3 10.3 3.3 -13.3 128.5 127.3 23.2
 ASN-257   LYS-258  10.8 10.7 13.5 -5.6 123.1 137.3 -70.2
 LYS-258   TYR-259  8.4 8.8 0.5 3.1 69.0 72.8 11.2
 TYR-259   ARG-260  5.6 5.7 -7.2 4.7 129.8 128.4 -4.7
 ARG-260   ASN-261  5.9 5.6 4.6 3.2 106.3 107.2 13.5
 ASN-261   GLN-262  5.7 5.3 5.1 -4.3 107.4 108.5 -0.7

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
 ASP-269   ILE-270  15.3 15.0 -18.9 17.7 72.4 75.1 13.1
 ILE-270   GLN-271  15.5 15.3 -14.4 10.3 104.0 110.5 -9.9
 GLN-271   GLY-272  12.8 12.7 4.9 0.6 9.3 10.0 51.4
 GLY-272   THR-273  11.9 11.9 4.4 8.4 56.5 63.8 56.9
 THR-273   ALA-274  15.5 15.6 -16.9 7.3 84.4 81.2 52.0
 ALA-274   SER-275  16.4 16.3 -4.6 3.7 136.1 131.4 -54.9

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
 TYR-448   PRO-449  20.6 21.1 3.2 -3.4 6.5 8.5 -2.4
 PRO-449   GLY-450  21.6 21.9 -2.7 5.3 119.5 114.8 3.2
 GLY-450   GLN-451  18.8 18.8 -2.5 1.6 143.5 141.7 34.1
 GLN-451   GLY-452  17.8 18.0 25.4 -6.6 35.0 38.2 218.9
 GLY-452   ASN-453  17.8 17.4 -15.2 41.5 127.5 117.1 104.4
 ASN-453   ASN-454  15.5 14.8 -21.7 -10.1 109.8 128.6 -149.3
 ASN-454   SER-455  12.6 12.6 13.3 -12.0 119.6 109.0 21.4
 SER-455   TYR-456  10.4 9.9 8.7 1.6 117.1 115.9 -122.2
 TYR-456   VAL-457  9.7 9.4 -11.0 13.1 137.8 138.7 51.8
 VAL-457   PHE-458  8.6 8.4 -3.5 2.4 119.2 114.8 -58.5

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
 VAL-540   ARG-541  7.9 8.3 -5.3 1.5 47.4 49.2 -2.5
 ARG-541   SER-542  7.9 8.2 0.4 -7.8 72.0 74.9 -19.4
 SER-542   GLN-543  10.8 11.1 8.1 -3.4 53.9 47.3 4.8
 GLN-543   MET-544  8.5 8.9 -1.4 6.4 67.2 67.6 17.9
 MET-544   TYR-545  6.7 6.9 -3.3 3.0 63.4 66.7 57.1
 TYR-545   SER-546  8.8 9.0 8.6 -16.7 174.5 174.9 95.6
 SER-546   THR-547  10.1 10.0 -5.2 4.8 78.9 78.9 -114.0

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