Thermolysin

(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
 TYR-75   TYR-76  9.5 9.2 -2.6 9.2 73.1 71.3 -160.2
 TYR-76   ALA-77  6.1 5.9 -13.5 15.0 41.0 35.9 -68.5
 ALA-77   GLY-78  4.9 4.9 -6.5 -10.1 36.7 35.2 336.9
 GLY-78   VAL-79  7.5 7.2 3.6 0.4 101.7 96.5 -68.1
 VAL-79   THR-80  7.4 7.5 7.2 -1.3 115.0 115.7 -101.1

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
 LYS-85   ASN-86  4.9 4.8 -11.8 13.6 110.2 111.0 55.8
 ASN-86   VAL-87  8.5 8.4 -14.0 9.8 98.0 97.6 -58.3
 VAL-87   HIS-88  9.2 9.2 2.1 -1.1 56.1 55.1 0.8
 HIS-88   ASN-89  7.2 7.3 3.5 -2.1 40.1 41.7 -37.8
 ASN-89   ARG-90  5.0 5.0 2.9 -0.1 95.7 99.5 114.3
 ARG-90   LEU-91  2.0 2.1 7.9 -4.6 109.0 111.0 -115.2
 LEU-91   SER-92  2.0 1.9 -3.2 1.5 52.3 51.1 1.5
 SER-92   TYR-93  3.0 3.1 -15.7 4.5 82.6 88.7 -49.9
 TYR-93   ASP-94  4.5 4.1 0.3 3.8 43.6 44.5 195.4
 ASP-94   GLY-95  6.7 6.5 -2.2 -6.2 152.6 147.4 -192.4
 GLY-95   ASN-96  4.0 3.5 -8.4 18.4 125.7 127.2 159.4

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-113   PHE-114  6.7 6.7 -3.6 -4.4 44.4 40.5 148.6
 PHE-114   TRP-115  8.7 8.3 2.5 9.4 147.5 141.1 -310.4
 TRP-115   ASN-116  9.5 9.0 5.9 -4.2 92.1 91.3 191.1
 ASN-116   GLY-117  13.1 12.7 5.9 -6.0 152.3 153.0 15.1
 GLY-117   SER-118  13.7 13.0 -12.2 22.2 60.8 59.4 -34.1
 SER-118   GLU-119  13.1 12.9 -5.6 3.6 111.2 112.0 -72.7
 GLU-119   MET-120  10.7 10.6 9.8 -7.5 40.3 39.7 152.9
 MET-120   VAL-121  8.2 8.2 -23.8 18.3 145.4 145.9 -88.5

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
 TYR-122   GLY-123  7.0 7.4 -11.8 11.6 27.1 18.5 12.4
 GLY-123   ASP-124  7.7 7.8 10.1 -12.8 114.4 112.5 0.7
 ASP-124   GLY-125  6.5 6.5 -5.4 8.2 49.1 49.2 -33.4

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-131   PRO-132  2.1 2.0 -14.4 17.4 24.8 19.8 -49.2
 PRO-132   LEU-133  4.0 4.1 -5.6 -2.6 41.6 45.1 159.7
 LEU-133   SER-134  1.7 1.8 4.6 4.4 146.8 145.2 -131.4

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
 PHE-178   TYR-179  13.2 13.1 0.9 3.4 46.4 51.1 72.3
 TYR-179   ALA-180  12.2 11.7 -11.6 23.9 67.2 63.6 -27.7
 ALA-180   ASN-181  12.1 11.7 -15.2 5.5 50.5 70.0 211.5
 ASN-181   LYS-182  14.7 14.9 4.0 -47.8 156.0 152.5 1082.6
 LYS-182   ASN-183  13.1 14.3 48.5 -1.9 130.3 121.7 -899.5
 ASN-183   PRO-184  15.1 14.2 -32.2 17.5 103.2 111.2 -483.7
 PRO-184   ASP-185  14.3 13.6 9.4 -24.1 117.7 122.8 171.0

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