Data Item _pdbx_vrpt_summary_geometry.percent_rotamer_outliers
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General 
- Item name
- _pdbx_vrpt_summary_geometry.percent_rotamer_outliers
- Category name
- pdbx_vrpt_summary_geometry
- Attribute name
- percent_rotamer_outliers
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
The MolProbity sidechain outlier score (a percentage).
Protein sidechains mostly adopt certain (combinations of) preferred torsion angle values
(called rotamers or rotameric conformers), much like their backbone torsion angles
(as assessed in the Ramachandran analysis). MolProbity considers the sidechain conformation
of a residue to be an outlier if its set of torsion angles is not similar to any preferred
combination. The sidechain outlier score is calculated as the percentage of residues
with an unusual sidechain conformation with respect to the total number of residues for
which the assessment is available.
Example: percent-rota-outliers="2.44".
Specific to structure that contain protein chains and have sidechains modelled.
For NMR structures only the well-defined (core) residues from ensemble analysis will be considered.
The percentage of residues with rotamer outliers.
Data Type 
- Data type code
- float
- Data type detail
- float item types are the subset of numbers that are the floating numbers.
- Primitive data type code
- numb
- Regular expression
- -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?
Allowed Boundary Conditions
| Minimum Value | Maximum Value |
|---|---|
| 0. | 100. |
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _Entry.percent-rota-outliers | http://wwpdb.org/validation/schema/wwpdb_validation_v6.00.xsd | V6.00 |