Online interactive analysis of protein structure ensembles with Bio3D-web

Area of Science:

• Structural biology
• Bioinformatics

Background:

• Analyzing protein families requires tools for sequence and structure analysis.
• Understanding conformational heterogeneity is crucial for protein function.

Purpose of the Study:

• To introduce Bio3D-web, an online application for comprehensive protein family analysis.
• To provide researchers with tools for sequence, structure, and dynamics analysis.

Main Methods:

• The application is built upon the Bio3D and Shiny R packages.
• It supports major web browsers for accessibility.
• Source code is available under a GPL2 license.

Main Results:

• Bio3D-web offers functionalities for identifying and aligning protein structure sets.
• It enables sequence and structure conservation analysis.
• The tool facilitates mapping, clustering of conformations, and comparison of predicted structural dynamics.

Conclusions:

• Bio3D-web provides a versatile platform for in-depth analysis of protein families.
• It enhances the study of protein structure-function relationships through integrated analysis.