Department of Computer Science, Faculty of Mathematics, University of Belgrade, Studentski trg 16, 11000, Belgrade, Serbia.
Comput Biol Chem. 2019 Dec;83:107130. doi: 10.1016/j.compbiolchem.2019.107130. Epub 2019 Sep 28.
Three-dimensional structure of a protein chain is determined by its amino acid interactions. One approach to the analysis of amino acid interactions refers to geometric distances of amino acid pairs in polypeptide chains. For a detailed analysis of the amino acid distances, the database with three types of amino acid distances in a set of chains was created. Web application Distances of Amino Acids has also been developed to enable scientists to explore interactions of amino acids with different properties based on distances stored in the database. Web application calculates and displays descriptive statistics and graphs of amino acid pair distances with selected properties, such as geometric distance threshold, corresponding SCOP class of proteins and secondary structure types. In addition to the analysis of pre-calculated distances stored in the database, the amino acid distances of a single protein with the specified PDB identifier can also be analyzed. The web application is available at http://andromeda.matf.bg.ac.rs/aadis_dynamic/.
蛋白质链的三维结构由其氨基酸相互作用决定。分析氨基酸相互作用的一种方法是指多肽链中氨基酸对的几何距离。为了详细分析氨基酸距离，创建了一个具有三种类型氨基酸距离的数据库。还开发了 Web 应用程序“氨基酸距离”，以使科学家能够根据数据库中存储的距离，基于不同性质的氨基酸相互作用进行探索。Web 应用程序计算并显示带有选定属性（如几何距离阈值、相应 SCOP 类别的蛋白质和二级结构类型）的氨基酸对距离的描述性统计信息和图形。除了分析存储在数据库中的预先计算的距离外，还可以分析具有指定 PDB 标识符的单个蛋白质的氨基酸距离。该 Web 应用程序可在 http://andromeda.matf.bg.ac.rs/aadis_dynamic/ 获得。
