GWYRE

GWYRE maps human genetic variants onto modeled tertiary and quaternary protein complex structures to support structural characterization of protein–protein interactions.

Key Features:

• Knowledge-Based Tertiary Structure Prediction: GWYRE uses Phyre2 homology-based prediction to model individual protein tertiary structures.
• Quaternary Structure Prediction via Template-Based Docking: It employs template-based docking with a full-structure alignment protocol to predict quaternary structures of binary protein–protein complexes.
• Integration of Structural Databases: GWYRE integrates structural data from protein interaction databases and the Protein Data Bank (PDB) for model generation.
• Genetic Variant Mapping: GWYRE maps human genetic variants onto modeled structures to assess potential impacts on protein interactions.
• Human Interactome Characterization: It assembles modeled complexes to provide structural characterizations of the human interactome.

Scientific Applications:

• Structural Characterization of Protein Complexes: Elucidates three-dimensional arrangements of proteins within complexes for functional interpretation.
• Genetic Variant Analysis: Locates human genetic variants within modeled structures to support analysis of variant effects on protein interactions and disease mechanisms.
• Protein Interaction Studies: Enables analysis of interface geometry and interaction networks using modeled binary complexes.

Methodology:

GWYRE models individual protein tertiary structures using Phyre2, constructs quaternary structures via template-based docking with full-structure alignment, integrates structural data from protein interaction databases and the Protein Data Bank (PDB), and maps human genetic variants onto the resulting models.