S-PDB: Analysis and Classification of SARS-CoV-2 Spike Protein Structures

This paper proposes a novel and efficient method, called S-PDB, for the analysis and classification of Spike (S) protein structures of SARS-CoV-2 and other viruses/organisms in the Protein Data Bank (PDB). The method first finds and identifies protein structures in PDB that are similar to a protein structure of interest (SARS-CoV-2 S) via a protein structure comparison tool. The amino acid (AA) sequences of identified protein structures, downloaded from PDB, and their aligned amino acids (AAA) and secondary structure elements (ASSE), that are stored in three separate datasets, are then used for the reliable detection/classification of SARS-CoV-2 S protein structures. Three classifiers are used and their performance is compared by using six evaluation metrics. Obtained results show that two classifiers for text data (Multinomial Naive Bayes and Stochastic Gradient Descent) performed better and achieved high accuracy on the dataset that contains AAA of protein structures compared to the datasets for AA and ASSE, respectively.