UNR: Unified Residue Numbering for Peptides in HLA Class II DR/DQ Structures

A table of peptides extracted from different HLA class II DR and DQ structures in the Protein Data Bank (PDB). The dataset, created by Alexander E. Kister and last updated in April 2026, provides a unified numbering scheme for peptide residues, categorizes them by hydrophobicity and fluctuation, and flags structures with missing or modified residues.

Use Cases

• Analyzing peptide core region characteristics based on hydrophobicity and fluctuation counts.
• Training models to predict peptide binding affinity based on residue properties in positions 3-14 (DR) or 4-14 (DQ).
• Benchmarking structural alignment methods using the provided unified residue numbering (UNR) scheme.
• Identifying structures with nonstandard residues or missing coordinates for quality control in structural studies.

Strengths

• Provides a unified residue numbering (UNR) scheme for cross-structure comparison.
• Explicitly flags structures with missing residues, unmodeled coordinates, or post-translational modifications.
• Categorizes peptide residues by hydrophobicity and fluctuation levels for core regions.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Dataset size is 25.4 KB, indicating a limited scope likely covering a specific, curated set of structures.

Provenance

Source

figshare

Collection Method

Peptides extracted from different HLA class II DR and DQ structures in the PDB, considered different based on sequence, chain differences, or presence of other molecules.

Time Range

Temporal coverage of source PDB structures is not specified.

Freshness

Last updated 2026-04-10 17:51:03; freshness should be verified.

Geography

Spatial coverage is not applicable for structural biology data.