Warning: Unusual bond angles

The bond angles listed in the table below were found to deviate more than 4 sigma from standard bond angles (both standard values and sigma for protein residues have been taken from Engh and Huber, for DNA/RNA from Parkinson et al.). In the table below for each strange angle the bond angle and the number of standard deviations it differs from the standard values is given. Please note that disulphide bridges are neglected. Atoms starting with "<" belong to the previous residue in the sequence.

  20 ASP  (  20 )    CA   CB   CG  117.628   5.0
  25 TYR  (  25 )    C    CA   CB  118.406   4.4
  31 HIS  (  31 )    CA   CB   CG  108.660  -5.1
  50 ASN  (  53 )    CA   CB   CG  107.674  -4.9
 111 PHE  ( 114 )    CA   CB   CG  117.935   4.1

Note: Normal bond angle variability

Bond angles were found to deviate normally from the mean standard bond angles (normal values for protein residues were taken from Engh and Huber, for DNA/RNA from Parkinson et al.). The RMS Z-score given below is expected to be around 1.0 for a normally restrained data set, and this is indeed observed for very high resolution X-ray structures. More common values are around 1.55

Z-score for bond angles: 1.143
RMS-deviation in bond angles: 2.181