Structural basis of development of multi-epitope vaccine against Middle East respiratory syndrome using in silico approach

Srivastava, Sukrit; Kamthania, Mohit; Singh, Soni; Saxena, Ajay K; Sharma, Nishi

Tertiary structure modeling of hla alleles and selected T-cell epitopes Template-based homology modeling for HLA class I and II allele binders of the shortlisted epitopes was performed by the Swiss-model. 22 Protein sequences of HLA class I and II alleles were retrieved from Immuno Polymorphism Database (IPD-IMGT/HLA) (https://www.ebi.ac.uk/ipd/ imgt/hla/allele.html). 69 Template with high sequence identity was chosen for modeling, and the models thus generated were validated for quality by the Qualitative Model Energy ANalysis (QMEAN) analysis. The QMEAN value is a composite (both global and local [ie, per residue] structure) quality estimate of the generated model. 43 Models with an acceptable QMEAN value with a cutoff of −4.0 were chosen for further studies (Table S2) .