RINspector

RINspector integrates centrality analyses and DynaMine backbone flexibility predictions within Residue Interaction Networks (RIN) to identify residues important for protein folding, function, and mutational impact.

Key Features:

• Centrality Analyses of Residue Interaction Networks (RIN): Computes centrality measures within Residue Interaction Networks (RIN) that represent tertiary or quaternary protein structures to identify pivotal residues involved in folding and function.
• DynaMine Flexibility Predictions: Incorporates DynaMine backbone flexibility predictions to generate residue-level flexibility profiles.
• Mutation Impact Analysis: Calculates effects of mutations on local flexibility and enables comparison across structures to identify specific and conserved central residues.
• Integration with Cytoscape and API: Provided as a Cytoscape app with an API (version 1.1.0) supporting batch centrality calculations and flexibility predictions via R or Python.

Scientific Applications:

• Mutagenesis Experiment Design: Identifies crucial residues and their environments to guide targeted mutagenesis experiments.
• Comparative Structural Analysis: Compares centrality and flexibility across different structures to assess evolutionary conservation and functional implications of residues.
• Dynamic Protein Studies: Uses DynaMine-derived flexibility profiles and centrality metrics to investigate protein dynamics relevant to biological function.

Methodology:

Performs centrality analyses on Residue Interaction Networks and DynaMine backbone flexibility predictions, computes mutation-induced changes in local flexibility, and exposes batch processing through a Cytoscape API (v1.1.0) usable from R or Python.