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Int. J. Mol. Sci. 2016, 17(12), 2023; doi:10.3390/ijms17122023

Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk

1
Department of Chemistry, University of South Florida, 4202 East Fowler Avenue CHE 205, Tampa, FL 33620-9998, USA
2
School of Molecular Sciences and the Magnetic Resonance Research Center, Arizona State University, Tempe, AZ 85287-1604, USA
3
Department of Biology and Synthetic Biomanufacturing Center, Utah State University, 650 East 1600 North, North Logan, UT 84341, USA
4
Department of Chemistry and Biochemistry, San Diego State University, 5500 Campanile Drive, San Diego, CA 92182-1030, USA
*
Author to whom correspondence should be addressed.
Academic Editor: John G. Hardy
Received: 14 September 2016 / Revised: 5 November 2016 / Accepted: 18 November 2016 / Published: 2 December 2016
(This article belongs to the Special Issue Silk-Based Materials: From Production to Characterization)
View Full-Text   |   Download PDF [2649 KB, uploaded 2 December 2016]   |  

Abstract

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. View Full-Text
Keywords: spider silk; NMR; solid-state NMR; molecular dynamics; secondary structure spider silk; NMR; solid-state NMR; molecular dynamics; secondary structure
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MDPI and ACS Style

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.

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