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. Author manuscript; available in PMC: 2016 May 18.
Published in final edited form as: J Chem Theory Comput. 2014 May 13;10(5):2165–2175. doi: 10.1021/ct500003g

Figure 9.

Figure 9

Analysis of ErbB1 TM helix dimer interactions.

A Convergence analysis of the ErbB1 TM helix-helix contact interactions for the RH packing mode, via jackknife analysis for different ensemble sizes (N = 5, 10, 20, and 45) drawn from the 50 simulations. The helix interactions are shown on a contact matrix where the heatscale indicates the relative frequency of interactions. Circles indicate the interactions observed for the small-small-x-x-small-small motif (T624-G625-x-x-G628-A629) in the NMR structure of the ErbB1 TM-JM helix dimer 37.

B Representative structures of the RH and LH dimer populations with the T624 and G628 contact residues (in red) shown, along with the sequence of the ErbB1 TM region.