Cathepsin S

(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
 GLN-51   ASN-52  1.2 9.9 124.5 -2.8 142.1 105.9 146.6
 ASN-52   LEU-53  1.9 9.6 19.4 7.0 126.9 52.0 1.4
 LEU-53   VAL-54  1.6 12.0 2.6 -10.1 65.7 43.8 -2.1
 VAL-54   ASP-55  3.6 9.2 11.4 17.1 96.5 112.3 -14.7

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
 ASN-67   GLY-68  12.8 16.2 116.2 175.8 38.8 20.1 -33.1
 GLY-68   GLY-69  12.3 17.8 163.5 30.2 28.6 35.6 118.9
 GLY-69   PHE-70  11.1 14.8 -31.3 9.8 123.4 75.4 -13.1
 PHE-70   MET-71  11.1 11.1 -4.3 -42.5 94.7 121.4 -23.7
 MET-71   THR-72  10.3 9.7 141.8 -25.0 22.0 85.9 -109.9
 THR-72   THR-73  9.9 6.3 166.2 -14.8 83.7 78.7 17.6

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
 ILE-78   ILE-79  3.5 10.6 -173.0 -3.9 25.6 118.9 60.2
 ILE-79   ASP-80  3.9 11.8 -161.6 -21.5 77.0 73.9 70.4
 ASP-80   ASN-81  2.2 15.0 -152.6 -17.3 120.1 138.2 -104.0

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