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. 2014 Dec 26;24(2):174–181. doi: 10.1002/pro.2601

Figure 4.

Figure 4

(A) Solvent exposure of the α6 helix: Ensemble-averaged solvent accessibilities were calculated for six simulated systems. NLRP14-L84R and NLRP4 show drastically reduced solvent exposure in closed conformation compared to monomers in open conformation (NLRP14, NLRP14-D86V). Dimers of these systems reduce solvent accessibilities to values close to these observed for monomers in the closed conformation. (B) Hydrogen bonding in NLRP pyrin domains: Total hydrogen bonds occurring in the conformational ensemble of NLRPs were counted. Open conformations of NLRP monomers (NLRP14, NLRP14-D86V) have a lower amount of hydrogen bonds compared to closed conformations (NLRP14-L84R, NLRP4). This loss is compensated by dimer formation recovering the hydrogen bond count to similar values as for closed state monomers.