Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_VALIDATE_MAIN_CHAIN_PLANE

Name:
'pdbx_validate_main_chain_plane'

Description:

   Data items in the PDBX_VALIDATE_MAIN_CHAIN_PLANE category list the
    residues that contain unexpected deviations from planes
    for main chain atoms as defined by the improper torsion
    angle describing planarity:

     PLANARITY = C(i-1) - CA(i-1) - N(i) - O(i-1) ==> planar < 5
          as a pseudo torsion

Example:

Example 1 
 
loop_
_pdbx_validate_main_chain_plane.id
_pdbx_validate_main_chain_plane.PDB_model_num
_pdbx_validate_main_chain_plane.auth_comp_id
_pdbx_validate_main_chain_plane.auth_asym_id
_pdbx_validate_main_chain_plane.auth_seq_id
_pdbx_validate_main_chain_plane.PDB_ins_code
_pdbx_validate_main_chain_plane.improper_torsion_angle
   1     0  TRP  G     20  .    29.901
   2     0  TRP  G     21  .   -42.450


Category groups:
    inclusive_group
    validate_group
    pdbx_group
Category key:
    _pdbx_validate_main_chain_plane.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.