PRODIGY-CRYSTAL

PRODIGY-CRYSTAL classifies crystallographic and biological interfaces in protein complexes by predicting interface type from intermolecular residue-residue contacts to distinguish biologically relevant interactions from crystal contacts.

Key Features:

• Predictive model: Uses analysis of intermolecular residue-residue contacts to determine interface type.
• Accuracy: Achieves an experimental accuracy of 0.92 for interface classification.
• Performance: Provides rapid predictions for interface classification.

Scientific Applications:

• Structural Biology: Discriminates crystallographic artifacts from biologically relevant interfaces to aid interpretation of macromolecular assemblies.
• Protein Complex Analysis: Classifies protein-protein interfaces within complexes to support studies of complex architecture and interactions.
• Drug Discovery: Identifies biologically relevant protein-protein interfaces that can be targeted in therapeutic design.

Methodology:

Predictive model based on analysis of intermolecular residue-residue contacts derived from empirical data distinguishing biological and crystallographic interfaces.