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HORI: a web server to compute Higher Order Residue Interactions in protein structures
Pandurangan Sundaramurthy1, Khader Shameer, Raashi Sreenivasan
1National Centre for Biological Sciences (TIFR), GKVK Campus, Bellary Road, Bangalore, 560065, India. pksmurthy@ncbs.res.in
Higher order residue interactions, including up to quadruplet ones, are crucial for protein structure stability. The HORI web server aids in analyzing these interactions, providing valuable insights for structural bioinformatics.
Area of Science:
- Structural Bioinformatics
- Computational Biology
- Protein Science
Background:
- Protein folding into stable 3D structures is governed by local and global residue interactions.
- Higher-order interactions (pairwise, triplet, quadruplet) significantly contribute to protein stability and the energy landscape.
- Identifying these higher-order interactions is essential for understanding protein structure and stability.
Purpose of the Study:
- To develop a computational tool for calculating higher-order residue interactions in protein structures.
- To provide a resource for analyzing global and local interaction patterns within proteins.
- To facilitate the estimation of contributions from higher-order interactions to protein stability.
Main Methods:
- Development of the HORI (Higher Order Residue Interactions) web server.
- Algorithm based on four-body nearest-neighbor propensities of amino acid residues.
- Implementation of a user-friendly, interactive web server with three distinct modules.
Main Results:
- HORI enables the calculation of global and local higher-order residue interactions.
- Demonstrated the significant role of interactions up to the quadruplet level in protein 3D structures.
- Validated higher-order residue interactions as a key feature for protein structure analysis.
Conclusions:
- The HORI server is a valuable resource for the structural bioinformatics community.
- It facilitates detailed analysis of higher-order residue interactions in protein structures.
- The server is accessible at http://caps.ncbs.res.in/hori for research purposes.
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