Institute of Computing Science, Poznan University of Technology, Poznan, Poland.
Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland.
PLoS Comput Biol. 2024 Oct 7;20(10):e1012500. doi: 10.1371/journal.pcbi.1012500. eCollection 2024 Oct.
RNA molecules, essential for viruses and living organisms, derive their pivotal functions from intricate 3D structures. To understand these structures, one can analyze torsion and pseudo-torsion angles, which describe rotations around bonds, whether real or virtual, thus capturing the RNA conformational flexibility. Such an analysis has been made possible by RNAtango, a web server introduced in this paper, that provides a trigonometric perspective on RNA 3D structures, giving insights into the variability of examined models and their alignment with reference targets. RNAtango offers comprehensive tools for calculating torsion and pseudo-torsion angles, generating angle statistics, comparing RNA structures based on backbone torsions, and assessing local and global structural similarities using trigonometric functions and angle measures. The system operates in three scenarios: single model analysis, model-versus-target comparison, and model-versus-model comparison, with results output in text and graphical formats. Compatible with all modern web browsers, RNAtango is accessible freely along with the source code. It supports researchers in accurately assessing structural similarities, which contributes to the precision and efficiency of RNA modeling.
RNA 分子是病毒和生物体内必不可少的，它们的关键功能源于复杂的 3D 结构。为了理解这些结构，可以分析扭转和伪扭转角，这些角度描述了键的旋转，无论是真实的还是虚拟的，从而捕捉 RNA 的构象灵活性。本文介绍的 RNAtango 就是这样一个服务器，它提供了 RNA 3D 结构的三角函数视角，深入了解了所研究模型的可变性及其与参考目标的对齐情况。RNAtango 提供了全面的计算扭转和伪扭转角的工具，生成角度统计，基于骨架扭转比较 RNA 结构，并使用三角函数和角度度量评估局部和全局结构相似度。该系统在三种情况下运行：单个模型分析、模型与目标比较、模型与模型比较，结果以文本和图形格式输出。RNAtango 与源代码一起免费提供，与所有现代 Web 浏览器兼容。它帮助研究人员准确评估结构相似度，这有助于提高 RNA 建模的精度和效率。
