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. 2016 May 19;6:26302. doi: 10.1038/srep26302

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Copyright © 2016, Macmillan Publishers Limited

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(a) An illustration defining d_HS1. (b) A heat map displaying the dependence of the N-domain motion, represented by the first PC, on d_HS1. The shown map is for the data of subunit A, and that for the merged data of all subunits is shown in Supplementary Fig. S9a. (c) A heat map displaying the relation between d_HS1 and Q_HS1 of subunit A. The map for the merged data of all subunits is shown in Supplementary Fig. S9b. (d) Solvent density maps (green fishnets) in the open, half-open, and closed conformations of HS1 contoured at 1.5 times the averaged bulk solvent density. Regions used to monitor Q_HS1 are coloured in pink. The frequencies (e) and rate constants (f) between the conformational and hydration states at HS1 (red coloured characters). The unit for rates is ps⁻¹. Blue coloured characters are the population of each state.