PDBx/mmCIF
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Data Category pdbx_vrpt_instance_intra_bond_outliers

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General

Category name
pdbx_vrpt_instance_intra_bond_outliers
Required in PDB entries
no
Category group membership
validation_report_group
Used in current PDB entries
No

Category Relationship Diagrams

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Category Description 

 
            Bond outlier for standard amino acid or nucleic acid in comparison to the
            Engh and Huber EH99 parameters, Parkinson et al. parameter set. 
            It involves two atoms. The obs, mean, stdev will all be in Angstroms units.
            Example: <bond-outlier atom0="C" atom1="OXT" mean="1.229" obs="1.327" stdev="0.019" z="5.16"/>

Category Example

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    loop_
    _pdbx_vrpt_instance_intra_bond_outliers.ordinal
    _pdbx_vrpt_instance_intra_bond_outliers.instance_id
    _pdbx_vrpt_instance_intra_bond_outliers.atom_1
    _pdbx_vrpt_instance_intra_bond_outliers.atom_2
    _pdbx_vrpt_instance_intra_bond_outliers.obs
    _pdbx_vrpt_instance_intra_bond_outliers.mean
    _pdbx_vrpt_instance_intra_bond_outliers.stdev
    _pdbx_vrpt_instance_intra_bond_outliers.Z
    1   1  OP3  P  1.523  1.607  0.012  -7.03  
    2  76  OP3  P  1.521  1.607  0.012  -7.20

Key Data Items

Category Data Items

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