Brysbaert Guillaume, Lorgouilloux Kevin, Vranken Wim F, Lensink Marc F
University of Lille, CNRS UMR8576 UGSF, F-59000 Lille, France.
Interuniversity Institute of Bioinformatics in Brussels, ULB/VUB, B-1050 Brussels, Belgium.
Bioinformatics. 2018 Jan 15;34(2):294-296. doi: 10.1093/bioinformatics/btx586.
Protein function is directly related to amino acid residue composition and the dynamics of these residues. Centrality analyses based on residue interaction networks permit to identify key residues in a protein that are important for its fold or function. Such central residues and their environment constitute suitable targets for mutagenesis experiments. Predicted flexibility and changes in flexibility upon mutation provide valuable additional information for the design of such experiments.
We combined centrality analyses with DynaMine flexibility predictions in a Cytoscape app called RINspector. The app performs centrality analyses and directly visualizes the results on a graph of predicted residue flexibility. In addition, the effect of mutations on local flexibility can be calculated.
The app is publicly available in the Cytoscape app store.
Supplementary data are available at Bioinformatics online.
蛋白质功能与氨基酸残基组成及其残基动态直接相关。基于残基相互作用网络的中心性分析能够识别蛋白质中对其折叠或功能至关重要的关键残基。此类中心残基及其周围环境构成了诱变实验的合适靶点。预测的柔韧性以及突变时柔韧性的变化为这类实验的设计提供了有价值的额外信息。
我们在一款名为RINspector的Cytoscape应用程序中，将中心性分析与DynaMine柔韧性预测相结合。该应用程序执行中心性分析，并直接在预测残基柔韧性的图表上直观显示结果。此外，还可以计算突变对局部柔韧性的影响。
该应用程序可在Cytoscape应用商店中公开获取。
补充数据可在《生物信息学》在线版获取。
