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. Author manuscript; available in PMC: 2017 Aug 25.
Published in final edited form as: J Phys Chem B. 2016 May 3;120(33):8532–8538. doi: 10.1021/acs.jpcb.6b02359

Figure 8.

Figure 8

Local frustration patterns for the PEST-NFκB interactions are highlighted by dimming the rest of the molecule. Highly frustrated interactions are shown in red lines and the arrows indicate the changes in frustration during molecular stripping. A)The wild type IκBα-NFκB-DNA ternary complex. B) The charge -neutralized PEST mutant IκBα-NFκB-DNA ternary complex. C) The alternative conformation of the wild type IκBα-NFκB binary complex with the PEST folded back and interacting with the p50 subunit of NFκB. D) The wild type IκBα-NFκB binary complex with the PEST occupying the DNA-binding cavity of the NFκB. E)The charge-neutralized PEST mutant IκBα-NFκB binary complex with the PEST occupying the DNA-binding cavity of the NFκB.