Prediction of potential NS3-based T cell epitopes of Hepatitis C virus by in-silico and in-vitro approach

The data contains the docking and refinement analysis part of the study. This study aimed to identify conserved NS3-based T-cell epitopes of HCV genotype 3 using combined in-silico and in-vitro approaches. NS3 sequences from 36 HCV 3a-infected patients were analysed to generate a consensus sequence, which was subjected to the Expasy-translate tool and IEDB server, respectively, for epitope prediction. Epitope prediction via the IEDB server (percentile rank < 0.5) yielded 119 MHC-I and 436 MHC-II candidates, which were filtered for antigenicity (VaxiJen > 0.4), non-allergenicity, non-toxicity, low human homology (E-value> 2), and cytokine-inducing potential (IFN-γ, IL-4, IL-10). Conservancy analysis across 485 global NS3 sequences (HCV-3a) shortlisted 11 MHC-I and 6 MHC-II epitopes. These epitopes were subjected to galaxypepdock server (https://galaxy.seoklab.org/cgi-bin/submit.cgi?type=PEPDOCK) for docking and the galaxyrefine server ( https://galaxy.seoklab.org/cgi-bin/submit.cgi?type=REFINE). This Dataset contains the docking and refinement analysis yielded models and results. The data contains different HLA allele+epitope combinations, denoted by folder names. Inside the folders, possible models can be found for each combination along with an Excel file which contains the overview and technical details (results) of that specific combination.