Figure 7.

(a) Average NH frequencies in LK₇β by NH group number computed using our map. The shading highlights the different β-strands, which are numbered at the top. The blue bars correspond to NH groups pointing into the solvent, and the yellow bars correspond to NH groups on the inside of the β-sheet. The average frequencies were based on analysis of 100,000 configurations spanning 100 ns. For the most part, the NH groups pointing toward the core of the LK₇β pentamer (yellow) experience stronger H-bonding interactions than those facing the solvent (blue), corresponding to lower vibrational frequencies. (b) An illustration of the numbering scheme.