Mamastrovirus Spike Protein: Sequence and Structural Characterization as a Basis for Understanding Cross-Species Transmission

This data is the predicted Astrovieus Spike protein structure. AlphaFold 2 and Alphafold 3 were used to predict spike protein structure. Published spike structures of HuAstV-1 (5EWO), HuAstV-2 (5W1N), HuAstV-8 (3QSQ), HuAstV-MLB (7UZT), Human-VA (8UFO), PoAstV (7XCA), and MuAstV (8TN8) were used as templates in Alphafold 2 based on their phylogenetic relationships. We attempted to use the spike protein sequence for dimeric protein prediction, but unfortunately, the binding interface between the two monomeric proteins exhibited very low predicted locus density-derived estimate (plDDT) values at the dimer interface, which could potentially affect subsequent results. Therefore, we only predicted monomeric proteins and succeeded in obtaining protein structures with high plDDT values. plDDT values greater than 70 and pTM values greater than 0.7 are cutoffs for confidence levels. Alphafold3 was used as a complementary tool to Alphafold2 for predicting those spike structures that were difficult to predict in Alphafold2.