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KIAM Preprint № 185, Moscow, 2018
Authors: Rudnev V.R., Tikhonov D.A., Kulikova L.I., Gubin M.Yu., Efimov A.V.
Database of two-helical motifs of protein molecules and computer services for their analysis
Abstract:
This paper is devoted to the development of structural motifs database of protein molecules consisting of two elements of a secondary structure that have unique spatial stacking of a polypeptide chain. The motives investigated are pairs of any type of helix, connected by a different non-zero length and different conformation of the connection. For each structure, geometric parameters are calculated. The database interface allows you to perform searches, sorting, filtering on all parameters, which makes it possible to obtain samples of structures with given geometric characteristics. Also, the system interface allows for statistical analysis and the construction of histograms for the distribution of various characteristics of structures in the sample. Thus, it is possible to investigate the correlation of the geometry of the spatial structures of the investigated motifs with the amino acid sequences. The system allows uploading of the received samples to the file system in CSV format. The upload format and set of uploaded data is configured in the interface. Downloading can contain both all the geometric characteristics of the structures of interest, and the corresponding amino acid sequences. The database interface also allows you to view 3D models of structural motifs.
Keywords:
structural motifs of proteins, database, helical pairs, inter-helix distances, angle between the axes of the helices, area of helix projection intersection
Publication language: russian,  страниц: 16
Research direction:
Mathematical modelling in actual problems of science and technics
Russian source text: