Fig. 4.

Docking simulation to predict the binding of predicted overlapping G protein CD8 + and CD4 + T-cell epitopes to HLA-C*12:03 and HLA-DRB1*01:01 molecules, respectively. The colors, teal cyan and lime green indicate the surface structure of HLA-C*12:03 and HLA-DRB1*01:01, respectively. The red and hot pink colors indicate the CD8 + and CD4 + T-cell epitope, respectively. The binding of CD8 + T-cell epitopes to the binding groove of MHC class I allele HLA-C*12:03 (A) “AVFALAPVV” (affinity: − 8.8 kcal/mol) (B) “LAVFALAPV” (affinity: − 9.1 kcal/mol) (C) “FALAPVVFA” (affinity: − 7.9 kcal/mol) and (D) “VFALAPVVF” (affinity: − 9.0 kcal/mol). On the other hand, the binding of CD4 + T-cell epitopes to the binding groove of MHC class II allele HLA-DRB1*01:01 (E) “LPALAVFALAPVVFA” (affinity: − 7.6 kcal/mol) (F) “PALAVFALAPVVFAE” (affinity: − 9.0 kcal/mol). These 2 CD4 + T-cell epitopes overlapped with the above mentioned 4 CD8 + T-cell epitopes. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)