Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_VALIDATE_PEPTIDE_OMEGA

Name:
'pdbx_validate_peptide_omega'

Description:

   Data items in the PDBX_VALIDATE_PEPTIDE_OMEGA category list the
    residues that contain peptide bonds deviate 
    significantly from both cis and trans conformation.  
    cis bonds, if any, are listed on cispep records.  
    trans is defined as 180 +/- 30 and
    cis is defined as 0 +/- 30 degrees.

Example:

Example 1 
 
loop_
_pdbx_validate_peptide_omega.id
_pdbx_validate_peptide_omega.PDB_model_num
_pdbx_validate_peptide_omega.auth_comp_id_1
_pdbx_validate_peptide_omega.auth_asym_id_1
_pdbx_validate_peptide_omega.auth_seq_id_1
_pdbx_validate_peptide_omega.PDB_ins_code_1
_pdbx_validate_peptide_omega.label_alt_id_1
_pdbx_validate_peptide_omega.auth_comp_id_2
_pdbx_validate_peptide_omega.auth_asym_id_2
_pdbx_validate_peptide_omega.auth_seq_id_2
_pdbx_validate_peptide_omega.PDB_ins_code_2
_pdbx_validate_peptide_omega.label_alt_id_2
_pdbx_validate_peptide_omega.omega
   1    0 A ASP  414 . .  A ARG  413 . .     147.84
   2    0 B ASN  289 . .  B ALA  288 . .     -39.12


Category groups:
    inclusive_group
    validate_group
    pdbx_group
Category key:
    _pdbx_validate_peptide_omega.id

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.