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ANOLEA: a www server to assess protein structures
1Department of Biology, Facultés Universitaires Notre Dame de la Paix, Bruxelles, Belgium.
Proceedings. International Conference on Intelligent Systems for Molecular Biology
|January 1, 1997
Summary
Atomic Non-Local Environment Assessment (ANOLEA) provides atomic-level energy calculations for protein structures. This tool identifies high energy zones, potentially indicating errors or interaction sites in proteins.
Area of Science:
- Biochemistry
- Structural Biology
- Computational Biology
Background:
- Protein structure analysis is crucial for understanding biological function.
- Identifying regions of instability or potential interaction sites within proteins is a key challenge.
Purpose of the Study:
- To introduce ANOLEA, a web server for atomic-level energy calculations in protein structures.
- To provide a tool for identifying high energy zones (HEZs) in proteins, correlating with errors or interaction sites.
Main Methods:
- ANOLEA performs non-local energy calculations between heavy atoms of amino acids.
- Input is a Protein Data Bank (PDB) file; output is an energy profile per amino acid.
- 3D visualization of protein structures highlighting high energy amino acids is provided via the CHIME plug-in.
Main Results:
- ANOLEA generates an energy profile for each amino acid in a protein structure.
- High energy zones (HEZs) are identified, suggesting potential structural errors or interaction regions.
- The server facilitates rapid, PC-based analysis of protein structures via the internet.
Conclusions:
- ANOLEA offers a valuable tool for rapid protein structure analysis.
- The identification of HEZs can aid in detecting protein errors and predicting interaction sites.
- The web server provides an accessible platform for researchers to analyze protein energy profiles.