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. 2016 Feb 24;8(3):61. doi: 10.3390/v8030061

Figure 3.

Figure 3

Ab initio modeling of the RBD. The central part of the RBD region (AA 14–68) was modeled by QUARK. (A) Front view of model 1 with the N-terminus left and C-terminus right. Helix 1 = blue (AA 14–31), helix 2 = yellow (35–45), helix 3 = red (57–68). Helix 1 shows a similar orientation as the schematic depiction in Figure 2E; (B) side view of (A), showing helix 1 similar to the helical wheel in Figure 2B; (C) Helix distribution and sequence of the modeled AA 14–68. The important amino acids for VP1u internalization are colored in orange (hydrophobic) and green (polar). The spatial cluster of the important amino acids is depicted as spheres in the helical structure (D) and in the surface model (E) of the RBD. Estimated TM-score of the shown Model 1: 0.5200 ± 0.0833. The structure was visualized with PyMOL.