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. Author manuscript; available in PMC: 2011 Dec 1.
Published in final edited form as: Biophys Chem. 2010 Oct 15;153(1):70–82. doi: 10.1016/j.bpc.2010.10.006

Fig. 4.

Fig. 4

Hydroxide-catalyzed rate constants predicted from the Backrub-sampled, RDC-selected 2KN5 ensemble of ubiquitin. For residues in which the amide hydrogen is exposed to solvent by more than 0.5 Å2 in at least one ensemble model, conformer acidities were predicted for all solvent-exposed amides. Those amides which are more than 0.5 Å2 in at least 50% of the models are marked as black circles. Those amides which are similarly exposed in only one distinct model are indicated as red squares, while the other more rarely exposed amides are denoted with blue diamonds. Leu 43 is denoted with an open circle to reflect the domination of this hydrogen exchange prediction by molecule 17 of the ensemble in which the Nζ of Lys 27 is only 3.6 Å from the peptide nitrogen of Leu 43.