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. 2020 Sep 23;6(10):1722–1734. doi: 10.1021/acscentsci.0c01056

Figure 5.

Figure 5

Hydrogen bond interactions of N-glycans at N234 and N165. The main hydrogen bond interactions of N-glycans at N234 (A) and N165 (B) within the Open system are shown as occupancy across all replicas (% frames). (C) A snapshot capturing Man9 glycan at N234 (licorice representation) within NTD-B establishing multiple hydrogen bonds with S protein residues (thicker licorice representation) belonging to RBD-A (cyan surface), NTD-B (red surface), CH-B (red cartoons), and CH-C (gray cartoons). GlcNAc and mannose carbons are colored in blue and green, respectively. (D) Molecular representation of Man5 glycan at N165 within NTD-B interacting with RBD-A. Multiple (1000) equally interspersed configurations (selected across all replicas) of the glycan at N165 from NTD-B are simultaneously shown. The glycan is represented as colored licorices (GlcNAc in blue, mannose in green), whereas RBD-A and NTD-B are represented as cyan and red surfaces, respectively.