Flavivirus NS1 protein models

Four Flavivirus NS1 protein models based on ZIKV-UG (Zika virus from Uganda), ZIKV-BR (Zika virus from Brazil), DENV2 (Dengue virus variant 2), and WNV (West Nile Virus). Due to missing regions in the crystals of these four NS1s (i.e., X-ray structures with PDB IDs 5K6K, 5GS6, 4O6B, and 4O6D, respectively), a homology protocol was applied. Models were built with Modeller 9.24 using default parameters, and the models with the best DOPE score were selected. NS1_ZIKV-UG and NS1_ZIKV-BR models are based on the templates with PDB ids 5K6K and 5GS6, respectively. For NS1_DENV2, three templates were used: the two complete structures from NS1_ZIKV-UG and NS1_ZIKV-BR, and the crystal PDB ID 4O6B. For NS1_WNV, the same strategy was followed as for NS1_DENV2, but the third template was changed for the crystal PDB ID 4O6D.

For more details, check the SI of https://doi.org/10.1016/j.virusres.2022.198838.