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LCS-TA to identify similar fragments in RNA 3D structures
Jakub Wiedemann1, Tomasz Zok1,2, Maciej Milostan1,2
1Institute of Computing Science & European Centre for Bioinformatics and Genomics, Poznan University of Technology, Piotrowo 2, 60-965, Poznan, Poland.
BMC Bioinformatics
|October 24, 2017
Summary
We developed a new method to compare RNA 3D structures by analyzing torsion angles. This approach identifies local similarities, aiding in the assessment of predicted RNA structures.
Area of Science:
- Structural Bioinformatics
- Computational Biology
- Biophysics
Background:
- Molecular structure comparison is crucial for evaluating in silico models and identifying structural motifs.
- The increasing volume of structural data necessitates advanced methods for global and local structure analysis.
- Comparative analysis aids in understanding molecular evolution and assessing predicted protein and RNA models.
Purpose of the Study:
- To introduce a novel, superposition-independent method for identifying local similarities in RNA 3D structures.
- To quantify local structural similarity based on torsion angle deviations and continuous segment lengths.
- To provide a new tool for assessing the quality and identifying specific features of predicted RNA tertiary structures.
Main Methods:
- A superposition-independent algorithm, Longest Continuous Segments in Torsion Angle space (LCS-TA), was developed.
- The method analyzes pairs of RNA 3D structures by focusing on bending and bond rotations described by torsion angles.
- Local similarity is measured by the length of continuous segments exhibiting similar torsion angles within a defined threshold.
Main Results:
- The LCS-TA algorithm successfully identifies continuous segments with similar torsion angles in RNA structures.
- The length of these segments serves as a quantitative measure of local structural similarity.
- The method is integrated into the MCQ4Structures application, available for download.
Conclusions:
- The LCS-TA approach combines torsion-angle analysis with local similarity identification for RNA 3D structures.
- This method offers a new perspective for local and quantitative structure quality assessment, complementing existing algorithms like LGA.
- Computational experiments demonstrate the utility of LCS-TA in evaluating RNA tertiary structure predictions and pinpointing areas of strength and weakness.

