Penicillin-Binding Protein 2A

(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-169   GLU-170  5.7 5.8 0.0 2.9 165.7 162.3 52.3
 GLU-170   ILE-171  5.4 5.2 0.5 4.8 59.8 60.2 9.6
 ILE-171   GLY-172  7.7 7.6 10.6 -9.6 30.7 33.3 -5.2

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-174   PRO-175  13.8 13.8 10.0 -8.5 152.6 158.8 -28.4
 PRO-175   LYS-176  14.5 14.4 5.8 -22.1 88.6 97.2 17.3
 LYS-176   ASN-177  18.2 18.1 12.1 9.5 90.4 80.7 32.3

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
 LYS-180   LYS-181  12.5 12.4 -3.3 5.7 107.3 110.1 39.1
 LYS-181   ASP-182  14.1 14.1 -7.2 10.4 45.8 44.2 -32.8
 ASP-182   TYR-183  13.7 13.9 -2.6 9.6 76.0 77.4 17.9

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
 LYS-184   ALA-185  11.1 10.9 25.4 -13.7 34.3 40.3 119.9
 ALA-185   ILE-186  13.7 13.6 8.5 -10.6 33.5 30.5 -15.3
 ILE-186   ALA-187  11.5 11.4 -2.5 5.8 92.9 93.9 41.8

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-191   ILE-192  9.9 10.2 3.7 -7.9 69.5 73.7 -12.2
 ILE-192   SER-193  6.5 6.8 9.2 -5.2 15.2 17.5 74.6
 SER-193   GLU-194  5.7 5.8 17.9 -16.3 79.5 77.1 36.9

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
 PHE-211   VAL-212  12.2 12.0 -6.8 9.1 72.7 72.0 8.8
 VAL-212   PRO-213  8.8 8.6 -3.1 4.1 106.5 107.3 -4.7
 PRO-213   LEU-214  5.6 5.5 3.2 -3.6 133.8 133.2 3.0
 LEU-214   LYS-215  3.8 3.7 -5.7 7.2 118.8 118.4 -5.3
 LYS-215   THR-216  3.5 3.5 1.4 2.5 13.9 11.8 32.5

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
 ASP-221   GLU-222  15.6 15.7 -49.8 51.2 63.0 59.4 -47.9
 GLU-222   TYR-223  18.4 18.7 -9.1 5.3 6.8 7.8 44.1

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
 PHE-227   ALA-228  17.1 17.1 -9.9 10.2 94.0 97.6 32.3
 ALA-228   LYS-229  15.4 15.2 1.3 6.4 81.9 82.5 -26.3
 LYS-229   LYS-230  18.9 18.6 3.3 -10.7 23.9 25.7 -129.2

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-231   HIS-232  17.1 16.9 0.1 -6.9 74.7 73.7 -1.8
 HIS-232   LEU-233  17.3 17.1 16.0 -15.6 74.9 78.6 26.1
 LEU-233   THR-234  13.7 13.5 -4.1 3.1 150.1 151.8 -37.3

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