Anomalous bond angles. Bond angles that deviate more than 4 sigma: Date= 2011-05-23 14:29:13 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 [REF], for DNA/RNA from Parkinson et al [REF]). 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. 17 MET ( 17 ) A CG SD CE 90.40 -4.8 27 ASN ( 27 ) A CA CB CG 107.71 -4.9 30 CYS ( 30 ) A C CA CB 96.24 -7.3 37 ASP ( 37 ) A CA CB CG 108.15 -4.5 41 ASP ( 41 ) A CA CB CG 108.46 -4.1 53 ASP ( 53 ) A CA CB CG 106.85 -5.7 57 PHE ( 57 ) A CA CB CG 106.62 -7.2 65 CYS ( 65 ) A N CA CB 99.67 -6.4 67 ASN ( 67 ) A CA CB CG 105.89 -6.7 72 HIS ( 72 ) A NE2 CD2 CG 110.65 4.1 75 ASN ( 75 ) A CA CB CG 108.29 -4.3 80 ASN ( 80 ) A CA CB CG 108.26 -4.3 81 CYS ( 81 ) A CA CB SG 104.19 -4.4 88 ASP ( 88 ) A CA CB CG 108.49 -4.1 89 ILE ( 89 ) A -C N CA 129.34 4.2 95 CYS ( 95 ) A C CA CB 102.48 -4.0 115 HIS ( 115 ) A NE2 CD2 CG 110.60 4.1 119 HIS ( 119 ) A NE2 CD2 CG 110.57 4.1 120 ASP ( 120 ) A CA CB CG 106.67 -5.9 129 ASP ( 129 ) A CA CB CG 107.93 -4.7 Bond angles were found to deviate normally from the mean standard bond angles (normal values for protein residues were taken from Engh and Huber [REF], for DNA/RNA from Parkinson et al [REF]). The RMS Z-score given below is expected to be near 1.0 for a normally restrained data set, and this is indeed observed for very high resolution X-ray structures. RMS Z-score for bond angles: 1.271 RMS-deviation in bond angles: 2.219 ------------------------------------------------------------------------ If you have detected any error, or have any question or suggestion, please send an Email to Gert Vriend. Roland Krause, Jens Erik Nielsen, Gert Vriend . ------------------------------------------------------------------------ Last modified Mon May 23 14:29:18 2011