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 the crystals for these four NS1 are having missing regions (i.e., X-ray structures with PDB ids 5K6K, 5GS6, 4O6B, and 4O6D, respectively) a homology protocol was applied. Models were built using Modeller 9.24 and default parameters and were selected the structures with the best DOPE score. NS1ZIKV-UG and NS1ZIKV-BR models are based on the templates with PDB ids 5K6K and 5GS6, respectively. For NS1DENV2 three templates were used the two complete structures from NS1ZIKV-UG and NS1ZIKV-BR, and the crystal PDB id 4O6B. For NS1WNV, was followed the same strategy as for NS1DENV2, 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.