Significantly energetically-constrained amino acid positions identified by MUMBO Analysis.

Abstract

<p>The 5 amino acids identified by MUMBO as having constrained ΔΔG mutational profiles relative to other identical amino acids within the crystal structure are color coded: ASN340 (red), Gly341 (orange) Ile342 (yellow) Glu343 (green), and Ser332 (cyan), are shown with respect to the TH2 and TH3 domains’ surface area (colored as in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0062427#pone-0062427-g004" target="_blank">Figure 4</a>). These residues cluster behind the conserved hydrophobic pocket and were identified because there mutational profile differed on average by 2 standard deviations from all other identical residues within the crystal structure.</p