Data Item _pdbx_vrpt_summary_geometry.percent_rotamer_outliers


Item name
Category name
Attribute name
Required in PDB entries
Used in currrent PDB entries

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
Data type detail
float item types are the subset of numbers that are the floating numbers.
Primitive data type code
Regular expression

Allowed Boundary Conditions

Minimum Value Maximum Value
0. 100.


Alias Item Name Dictionary Name Dictionary Version
_Entry.percent-rota-outliers V6.00