Arylalkylamine N-Acetyltransferase

(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
 PRO-42   GLU-43  14.3 14.0 11.7 -12.5 47.7 44.6 -16.2
 GLU-43   ASP-44  16.9 16.3 39.1 -15.8 42.9 50.9 156.6
 ASP-44   ALA-45  14.9 13.7 4.9 27.3 108.7 114.9 -221.7
 ALA-45   ALA-46  14.1 14.4 -23.7 8.3 88.1 119.3 -85.0
 ALA-46   GLY-47  17.9 17.3 -27.1 13.0 150.1 141.6 -106.9
 GLY-47   VAL-48  17.6 15.3 -82.3 26.0 91.5 74.8 62.2
 VAL-48   PHE-49  17.6 12.9 -69.3 12.1 112.7 73.8 -10.7
 PHE-49   GLU-50  20.8 15.9 -20.7 38.8 133.5 138.9 214.2
 GLU-50   ILE-51  18.6 17.7 177.1 26.6 118.2 64.9 84.2
 ILE-51   GLU-52  18.2 15.1 -171.1 63.3 112.2 53.7 530.4
 GLU-52   ARG-53  14.9 15.8 -167.3 27.0 67.9 93.1 233.6
 ARG-53   GLU-54  15.2 19.6 176.3 -6.6 115.6 47.9 -1067.9
 GLU-54   ALA-55  13.5 19.6 -125.4 -28.9 120.5 82.2 312.8
 ALA-55   PHE-56  12.5 17.0 8.3 48.0 116.7 138.8 -453.5
 ASP-68   GLU-69  15.6 16.1 161.6 -144.2 147.0 97.0 -36.8
 GLU-69   VAL-70  14.4 12.7 -20.7 33.6 88.1 134.3 30.4
 VAL-70   GLN-71  10.8 11.7 -33.0 -4.4 99.1 73.5 2.6
 GLN-71   HIS-72  11.7 13.1 -10.4 -7.9 36.5 40.7 146.0
 HIS-72   PHE-73  11.1 11.0 -22.8 4.7 93.1 106.9 -56.1
 PHE-73   LEU-74  7.6 7.6 -8.2 -4.5 124.0 128.0 -66.8
 LEU-74   THR-75  9.2 9.2 -8.2 11.6 56.8 60.2 -21.2
 THR-75   LEU-76  11.0 11.1 3.4 -7.1 125.3 122.0 -0.5
 LEU-76   CYS-77  8.1 8.3 5.7 1.8 62.7 60.0 22.0

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
 LEU-80   SER-81  2.6 2.6 -0.6 0.2 48.8 51.1 21.3
 SER-81   LEU-82  3.4 3.5 4.4 -3.3 148.5 154.6 15.9
 LEU-82   GLY-83  3.4 3.3 9.7 -16.4 127.1 126.4 42.3

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
 ILE-95   GLY-96  4.7 5.1 4.1 -3.8 136.3 135.6 19.6
 GLY-96   SER-97  2.8 3.0 2.3 -13.8 144.1 145.5 124.6
 SER-97   LEU-98  1.5 1.7 -18.4 15.2 68.4 67.3 -16.3

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
 LEU-121   HIS-122  5.7 5.9 -10.5 16.3 102.2 103.8 2.2
 HIS-122   ALA-123  7.8 8.0 3.3 -17.0 144.5 141.4 114.7
 ALA-123   LEU-124  8.6 9.2 1.9 -0.8 143.6 147.1 15.9

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
 GLY-136   SER-137  7.0 7.1 5.6 -3.2 98.7 100.8 -7.5
 SER-137   VAL-138  7.5 7.7 2.8 -6.3 87.8 89.6 22.9
 VAL-138   LEU-139  4.4 4.6 -0.4 2.0 32.4 32.9 -23.6
 LEU-139   LEU-140  2.5 2.6 -4.1 2.5 38.4 37.8 30.5

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