In silico Structure Prediction and Functional Annotation of Ananas comosus Hypothetical Protein OAY63476.1

Abstract

Hypothetical proteins (HPs) are those whose sequence is present but nothing is known about their structural and functional annotations. Elucidation of structural and functional insights would be effective enough in perceiving the protein interactions and their involvement in various pathways and networks. Ananas comosus is considered as third most essential tropical fruit and is given more consideration from the commercial point of view; therefore, in this research, it is taken for analysis using different approaches of bioinformatics. On the basis of subcellular localization and secondary structure analysis, it was suggested that HP is the nuclear protein consisting of α helices and more abundant coils. Homology modeling has been done through Swiss Model to determine their template structure but template identity score is not enough which uncover the fact that the protein OAY63476.1 is unpredicted in-vitro. In order to predict the 3D structure of protein, Phyre 2 server is utilized. Results are validated by different strategies revealing the stability of the developed model. The quality factor of this protein is 45.28. Functional analysis and domain identification have been performed by using NCBI-CDD and Pfam which suggested that protein contains ring variant domain. Comparative genome analysis has been performed with other proteins of plants which demonstrate that the selected protein has the highest similarity. This study paves the way in order to determine the structural and functional annotations of other uncharacterized proteins and effective in exploring other novel proteins along with their functions in the same way as that of this research study.

Keywords

• ananas comosus
• homology modeling
• ab initio method
• functional annotation