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Long-Range Intra-Protein Communication Can Be Transmitted by Correlated Side-Chain Fluctuations Alone

Figure 1

Single-residue perturbations in barstar.

Changes in the Gibbs entropy of each residue in barstar (1a19 [47]) that resulted from perturbations to single side-chains. Residues whose entropy changes by a significant amount, according to Student's t-test at the 90% level, are shown in color. Red indicates increased entropy, blue indicates decreased entropy (see scale bar). Although side-chains are depicted in their crystallographic arrangements for graphical simplicity, note that is a measure of the extent of fluctuations among a wide variety of distinct packings. For the results presented in panel (a), I86 (shown in black and circled) was mutated to G. For those of panel (b) E46 (shown in black and circled) was constrained to its crystallographic configuration.

doi: https://doi.org/10.1371/journal.pcbi.1002168.g001