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

The model generated by RaptorX for CTL MEV has 4% helix, 37% β-sheet, and 58% coil; the model is 26% exposed, 41% medium, and 31% buried. It has three domains: first domain (1-46 aa, template-1fd3:A); second domain (47-444 aa, template-4dou:A, 4zch:A); and third domain (445-500 aa, template-1kj6:A) ( Figure 7A ). The model generated by RaptorX for HTL MEV has 35% helix, 20% β-sheet, and 44% coil; the model is 26% exposed, 35% medium, and 37% buried. It has four domains: first domain (1-46 aa, template-1fd3:A); second domain (47-546 aa, templates-4ufcA, 2eabA, and 2rdyA); third domain (547-601 aa, template-1tue:B); and fourth domain (602-657 aa, template-1kj6:A) ( Figure 7E ). The P-values of the best template of CTL and HTL MEV models are 3.98e-05 and 5.41e-04, respectively. Good quality alpha proteins and good quality beta proteins should have P-value of less than 10 -3 and 10 -4 respectively. Hence, both the models of CTL and HTL MEVs generated by RaptorX are of good quality. Because the CTL and HTL epitopes used for the design of both MEVs show overlapping with B-cell linear epitopes (Figure 3 ), both the CTL and HTL MEV models also carry overlapping regions of B-cell linear epitopes ( Figure 7B and F) .