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. 2020 Jun 19;124(33):7128–7137. doi: 10.1021/acs.jpcb.0c04553

Figure 5.

Figure 5

In chain A of PDB: 6VSB, the density strongly suggests α-helix spanning residues 849–856 and a disulfide bond between Cys840 and Cys851. (A) As modeled in this study, colored balls on CA atoms are ISOLDE markup indicating Ramachandran status (green = favored; hot pink = outlier). Lysine 854 (dagger) is pointing into the page, where it forms a salt bridge with Asp614 of an adjacent chain. (B) Starting chain A model of DESRES-ANTON-11021571 has Cys840 and Cys851 about 20 Å apart. There are four severe Ramachandran outliers (red arrows) and a cis peptide bond at 853–854 (asterisk). Lysine 854 points outward through the core of the helical density and is blocked from the position in our model by the steric bulk of Phe855. All figures were generated using UCSF ChimeraX.