Data Category pdbx_validate_chiral


Category name
Required in PDB entries
Category group membership
pdbx_group  validate_group
Used in current PDB entries
Yes, in about 3.6 % of entries

Category Relationship Diagrams

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Category Description

    Data items in the PDBX_VALIDATE_CHIRAL category list the
    residues that contain unexpected configuration of chiral
     IMPROPER   HA  N   C   CB   chirality CA
     IMPROPER   HB1 HB2 CA  CG   stereo CB
     as this number approaches (+) or (-) 180.0, then the
     error in predicting the true chirality of the center increases.
     Improper dihedrals are a measure of the chirality/planarity of the
     structure at a specific atom. Values around -35 or +35 are expected
     for chiral atoms, and values around 0 for planar atoms.
     HERE improper C---N----CA---CB done
     expected answer is around -120 mean -122.52
      D-amino acid is +120.0

Category Example

  1    0 B ASP   405 .  ALPHA-CARBON   150.48