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. Author manuscript; available in PMC: 2014 Dec 10.
Published in final edited form as: J Chem Theory Comput. 2013 Dec 10;9(12):5430–5449. doi: 10.1021/ct400781b

Figure 4.

Figure 4

Helical properties in the dimeric coiled coil (1U01) simulations. A) RMS differences of the individual helix Cα atoms following alignment to themselves (eg. Helix A vs. Helix A) and following alignment based on the other helix in the dimer (eg. Helix B vs. Helix A). B) Inter-helical angle vectors defining the helical axes were calculated using the nonterminal residue Cα atoms following Chothia et al.131 NMR data for the 20 models generated in the published structural study are represented as horizontal lines