International Journal of Molecular Science
Solid-state NMR and molecular dynamics (MD) simulations are presented to help elucidate the molecular secondary structure of poly(Gly-Gly-X), which is one of the most common structural repetitive motifs found in orb-weaving dragline spider silk proteins. The combination of NMR and computational experiments provides insight into the molecular secondary structure of poly(Gly-Gly-X) segments and provides further support that these regions are disordered and primarily non-β-sheet. Furthermore, the combination of NMR and MD simulations illustrate the possibility for several secondary structural elements in the poly(Gly-Gly-X) regions of dragline silks, including β-turns, 310-helicies, and coil structures with a negligible population of α-helix observed.
Gray, G.M.; van der Vaart, A.; Guo, C.; Jones, J.; Onofrei, D.; Cherry, B.R.; Lewis, R.V.; Yarger, J.L.; Holland, G.P. Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk. Int. J. Mol. Sci. 2016, 17, 2023.