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. Author manuscript; available in PMC: 2014 Mar 21.
Published in final edited form as: J Phys Chem B. 2013 Mar 12;117(11):3098–3109. doi: 10.1021/jp311936j

Figure 4.

Figure 4

Rosetta simulation of the LRAP monomer showing a) the distribution of three basic secondary structure motifs for the low energy ensemble of 100 solution state LRAP structures going from residue 1 (N-terminus) to residue 59 (C-terminus) and b) coordinates for the 10 lowest energy, solution state structures superimposed about the helical middle segment (residues 23–31). Structural cartoons go from left N-terminus (blue) to right C-terminus (Red) and one structure is emboldened for clarity. SSNMR experimental studies of LRAP are showing a stable helix at K24-S28, consistent with the Rosetta simulations. The experimental studies and simulations also both show lower degrees of helical character in the C-terminus and N-terminus.