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2StrucCompare: a webserver for visualizing small but noteworthy differences between protein tertiary structures
Elliot D Drew1, Robert W Janes1
1School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London, E1 4NS, UK.
Nucleic Acids Research
|May 23, 2019
Summary
2StrucCompare visualizes subtle protein structure differences, aiding functional understanding. It highlights conformational changes at secondary and residue levels using multiple structure determination methods.
Area of Science:
- Structural biology
- Bioinformatics
- Computational biology
Background:
- Understanding protein structure-function relationships is crucial in biology.
- Subtle conformational changes can significantly impact protein function.
- Existing tools may not adequately capture minor structural variations.
Purpose of the Study:
- To develop and present 2StrucCompare, a web server for visualizing subtle differences between protein structures.
- To aid researchers in identifying and understanding the functional implications of these structural variations.
Main Methods:
- Utilizes four established methods (DSSP, STRIDE, P-SEA, STICKS) for secondary structure determination.
- Compares protein structures at both the secondary structure and residue levels.
- Identifies and visualizes differences in conformation, contacts, and side-chain orientations.
Main Results:
- 2StrucCompare effectively captures both large-scale and subtle conformational differences between protein structures.
- The tool visualizes differences in secondary structure assignments arising from varied computational methods.
- Enables detailed comparison of residue-level contacts and side-chain conformations.
Conclusions:
- 2StrucCompare provides a valuable resource for structural biologists and bioinformaticians.
- Visualizing subtle structural differences can be key to deciphering protein function.
- The web server is freely accessible for research purposes.
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