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Influence of peptide cargo on B*44:02 binding groove width. Distances were averaged over all simulations for each system; standard deviation is shown as bars. Standard errors of the mean, obtained from a block averaging procedure (64), are below 0.5 Å in all cases. (A) Distance d1 is measured between the Cα atoms of Y85 and T138. (B) d2 between Y74 and V152. (C) d3 between Y59 and Y171.
