Sarcoplasmic/endoplasmic Reticulum Calcium Atpase 1A

(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
 ARG-325   MET-326  8.5 4.4 -25.9 24.2 138.8 105.1 1.5
 MET-326   ALA-327  6.3 2.0 89.9 -117.6 111.9 145.1 43.5
 ALA-327   LYS-328  3.6 2.8 -71.1 21.5 58.0 57.7 64.1
 LYS-328   LYS-329  0.8 1.3 -97.5 65.3 101.4 107.9 -10.7
 LYS-329   ASN-330  3.0 2.5 -175.1 152.1 53.1 91.7 32.1
 ASN-330   ALA-331  6.2 4.2 -100.6 56.6 113.4 137.5 -59.0
 ALA-331   ILE-332  7.1 4.6 18.4 -19.1 149.9 111.4 -10.4
 ILE-332   VAL-333  9.3 7.1 -2.2 -32.8 119.1 132.8 -39.8
 VAL-333   ARG-334  11.0 8.9 2.0 27.3 112.8 112.3 -27.0
 ARG-334   SER-335  14.6 12.2 -159.5 -161.2 127.3 125.7 66.6
 ARG-334   SER-335  14.6 12.2 -159.5 -161.2 127.3 125.7 66.6

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
 ARG-334   SER-335  14.6 12.2 -159.5 -161.2 127.3 125.7 66.6
 ARG-334   SER-335  14.6 12.2 -159.5 -161.2 127.3 125.7 66.6
 SER-335   LEU-336  16.6 14.1 -39.8 17.4 126.2 124.3 -18.9
 LEU-336   PRO-337  16.2 13.1 27.5 -1.3 11.7 10.3 40.9

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
 LEU-600   ASP-601  27.3 28.2 55.2 -48.4 61.9 57.0 33.5
 ASP-601   PRO-602  24.4 25.2 -10.3 -74.4 85.8 58.3 18.2
 PRO-602   PRO-603  22.3 22.7 25.2 -1.5 138.6 95.6 -41.5
 PRO-603   ARG-604  22.8 19.1 -145.5 90.8 81.2 142.0 -25.5
 ARG-604   LYS-605  20.0 16.3 74.0 156.8 25.1 98.1 238.1
 LYS-605   GLU-606  17.5 14.6 -139.7 174.2 99.5 42.9 -267.5
 GLU-606   VAL-607  15.2 13.2 -141.1 93.9 58.3 42.1 46.9
 VAL-607   MET-608  14.6 13.6 -146.1 102.1 31.4 28.5 62.8

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
 SER-610   ILE-611  8.8 10.3 8.7 -4.3 156.8 150.8 -7.9
 ILE-611   GLN-612  10.8 12.0 -11.1 -14.4 26.6 37.9 41.3
 GLN-612   LEU-613  10.0 12.4 22.3 2.1 103.9 97.3 -8.5
 LEU-613   CYS-614  6.2 9.1 -16.6 33.6 83.9 55.8 -4.6
 CYS-614   ARG-615  7.8 7.7 -62.1 51.3 41.1 10.8 -0.1
 ARG-615   ASP-616  9.4 9.5 25.2 14.5 132.3 111.6 -38.0
 ASP-616   ALA-617  6.6 8.5 52.1 -45.6 67.5 97.4 -42.5
 ALA-617   GLY-618  3.2 4.8 27.1 -112.9 74.0 125.9 48.6
 GLY-618   ILE-619  4.1 5.1 102.8 -7.8 69.0 60.1 21.1
 ILE-619   ARG-620  6.6 6.3 25.5 -11.8 85.2 92.1 3.1

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
 VAL-734   LEU-735  12.5 10.7 0.6 -12.5 89.2 80.9 -19.8
 LEU-735   ALA-736  11.4 9.4 -59.1 81.7 165.0 163.4 45.1
 ALA-736   ASP-737  11.0 8.7 35.5 8.4 91.9 87.5 -11.9

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