Cyclin-Dependent Kinase 2

(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  ALA-31   LEU-32  10.6 10.4 0.2 5.3 72.9 69.3 18.0  LEU-32   LYS-33  13.0 12.9 -15.5 3.9 64.6 67.6 54.0  LYS-33   LYS-34  12.9 12.4 -7.3 1.2 91.5 96.8 -53.8  LYS-34   ILE-35  16.3 15.8 20.2 -23.2 84.2 88.0 -83.0  PRO-45   SER-46  24.8 21.1 -23.6 31.9 141.5 138.5 76.6  SER-46   THR-47  24.5 20.3 -8.3 11.0 120.4 81.9 63.1  THR-47   ALA-48  22.7 17.0 2.8 6.4 108.9 70.5 -40.3  ALA-48   ILE-49  19.8 16.1 -26.3 19.7 103.2 172.2 -26.8  ILE-49   ARG-50  19.7 17.5 -15.1 11.5 152.9 114.2 -59.2  ARG-50   GLU-51  18.8 15.1 6.1 -18.6 105.5 101.2 52.1  GLU-51   ILE-52  16.8 12.0 3.9 12.1 105.5 51.7 33.2  ILE-52   SER-53  14.4 12.6 -40.2 17.0 129.2 162.9 -211.5  SER-53   LEU-54  14.6 13.1 -18.6 10.4 131.7 95.4 44.5  LEU-54   LEU-55  12.6 10.4 -17.1 12.4 65.2 87.9 -18.3  LEU-55   LYS-56  10.0 7.8 -6.0 -4.0 100.5 141.8 -84.2  LYS-56   GLU-57  10.0 9.1 0.1 -6.6 40.4 43.8 0.3  GLU-57   LEU-58  8.1 7.3 28.1 -43.6 101.1 106.7 16.8  LEU-58   ASN-59  5.7 4.1 -0.5 10.8 63.4 81.1 -35.1  ASN-59   HIS-60  3.1 2.6 -31.8 0.5 100.2 92.1 -85.4 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  PRO-61   ASN-62  4.2 5.1 -1.1 2.7 152.0 148.4 0.9  ASN-62   ILE-63  3.4 4.1 1.8 -5.9 72.5 73.4 -13.6  ILE-63   VAL-64  0.8 0.4 -6.1 10.4 109.3 107.9 53.4 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  GLN-85   ASP-86  4.8 4.9 24.1 24.5 59.4 62.8 163.7  ASP-86   LEU-87  2.3 2.4 -2.8 2.1 72.6 71.0 -42.8  LEU-87   LYS-88  5.7 5.7 6.1 -9.4 154.8 153.5 37.8 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-141   LYS-142  6.1 6.8 1.2 7.5 129.3 130.7 -32.4  LYS-142   LEU-143  2.7 3.4 -2.9 13.0 113.7 108.5 71.9  LEU-143   ALA-144  3.5 3.2 12.0 -10.9 80.3 76.3 -37.3  ALA-144   ASP-145  4.2 3.3 22.2 -13.1 108.6 108.4 -50.8  ALA-144   ASP-145  4.2 3.3 22.2 -13.1 108.6 108.4 -50.8 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-144   ASP-145  4.2 3.3 22.2 -13.1 108.6 108.4 -50.8  ALA-144   ASP-145  4.2 3.3 22.2 -13.1 108.6 108.4 -50.8  ASP-145   PHE-146  7.8 6.8 18.8 -21.6 58.7 48.4 -58.3  PHE-146   GLY-147  9.8 8.9 -96.4 -11.1 75.8 77.9 259.8  GLY-147   LEU-148  13.5 11.9 -159.2 -12.4 142.7 94.3 600.3  VAL-164   THR-165  15.7 15.8 157.7 19.0 94.7 174.3 996.2  THR-165   LEU-166  14.7 14.8 -2.1 74.4 140.1 77.1 70.4  LEU-166   TRP-167  17.5 17.7 -55.3 -10.1 99.5 94.5 -87.0  TRP-167   TYR-168  16.7 16.8 2.6 4.1 22.9 24.4 65.5  TYR-168   ARG-169  16.0 15.9 -3.6 -4.6 132.4 127.9 -59.5 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