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Protein Data Bank exchange dictionary (pdbx) version 1.0521
Category PDBX_VALIDATE_CHIRAL
Name:'pdbx_validate_chiral'
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 +120.0Example:
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 |
Category groups:
inclusive_group
validate_group
pdbx_group
Category key:
_pdbx_validate_chiral.id
Mandatory category: no