Protein structure prediction of <i>Pf</i>CCT MΔK^WT and <i>Pf</i>CCT MΔK^R681H.

<p>A) Alignment of rat CCT (PDB ID: 4MVC) and <i>Pf</i>CCT MΔK^WT sequences used for modeling and MD stimulations. Numbering is according to <i>Pf</i>CCT MΔK^WT. Secondary structure elements are represented by squiggles (α-helices), arrows (β-strands) and lines (turns). In the aligned sequences, red box with white character indicates strict identity and red character means similarity in groups. R681 corresponding to R140 in rat CCT is indicated by a green star. Hydropathy (pink—hydrophobic, grey—intermediate, cyan—hydrophilic) and accessibility (blue—accessible, cyan—intermediate, white—buried) are also presented below the sequences. The layout with secondary structure elements was generated with ESPript 3.0 [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0129632#pone.0129632.ref066" target="_blank">66</a>], supplemented with visual inspection of structures. B) Conservation of the RYVD signature sequence in CCTs, shown by Weblogo. Numbering is according to the <i>Plasmodium falciparum</i> sequence, where the ⁶⁸¹RWVD⁶⁸⁴ corresponds to the ¹⁴⁰RYVD¹⁴³ in the rat sequence. C) Dimer structure of MΔK^WT homology model. Chain A is coloured in red and chain B is coloured in yellow. Important secondary structure elements are indicated.