Homology modeling and epitope prediction of Der f 33

Abstract

Dermatophagoides farinae (Der f), one of the main species of house dust mites, produces more than 30 allergens. A recently identified allergen belonging to the alpha-tubulin protein family, Der f 33, has not been characterized in detail. In this study, we used bioinformatics tools to construct the secondary and tertiary structures and predict the B and T cell epitopes of Der f 33. First, protein attribution, protein patterns, and physicochemical properties were predicted. Then, a reasonable tertiary structure was constructed by homology modeling. In addition, six B cell epitopes (amino acid positions 34-45, 63-67, 103-108, 224-230, 308-316, and 365-377) and four T cell epitopes (positions 178-186, 241-249, 335-343, and 402-410) were predicted. These results established a theoretical basis for further studies and eventual epitope-based vaccine design against Der f 33.

Figure 1.. B and T cell epitopes on tertiary structure of Der f 33. A-1 and A-2, Tertiary structure of Der f 33. B-1 and B-2, B cell epitopes on tertiary structure of Der f 33. C-1 and C-2, T cell epitopes on tertiary structure of Der f 33.

Figure 2.. Secondary structure elements for Der f 33. The α-helices are underlined, β-sheets are shown in gray highlight, random coils in unlabeled sequence, and epitopes are within a box.