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Category pdbx_validate_chiral

Category Description

   Data items in the PDBX_VALIDATE_CHIRAL category list the
    residues that contain unexpected configuration of chiral
    centers.
     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 Examples




Example 1:

    Example 1 




loop_
_pdbx_validate_chiral.id
_pdbx_validate_chiral.PDB_model_num
_pdbx_validate_chiral.auth_comp_id
_pdbx_validate_chiral.auth_asym_id
_pdbx_validate_chiral.auth_seq_id
_pdbx_validate_chiral.PDB_ins_code
_pdbx_validate_chiral.details
_pdbx_validate_chiral.omega
  1    0 B ASP   405 .  ALPHA-CARBON   150.48




Key Category Items

• _pdbx_validate_chiral.id



Items in Category pdbx_validate_chiral

Item Name	Mandatory Code
_pdbx_validate_chiral.auth_asym_id	yes
_pdbx_validate_chiral.auth_atom_id	no
_pdbx_validate_chiral.auth_comp_id	yes
_pdbx_validate_chiral.auth_seq_id	yes
_pdbx_validate_chiral.details	no
_pdbx_validate_chiral.id	yes
_pdbx_validate_chiral.label_alt_id	no
_pdbx_validate_chiral.omega	yes
_pdbx_validate_chiral.PDB_ins_code	no
_pdbx_validate_chiral.PDB_model_num	yes

 

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