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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 4.

Figure 4

Representative structures of the most probable conformation observed in Fig. 3. All structures in this figure are in the same orientation for ease of comparison. A) Overlay of the two most probable conformations of the PEST in the binary complex between wild type IκBα and NFκB. B) Representative structure of the most probable conformation of the PEST in the binary complex between IκBα with the charge-neutralized mutant PEST and NFκB. C) Overlay of representative structures of the NFκB-DNA-IκBα ternary complexes with wild type IκBα (blue) and with the charge-neutralized mutant of IκBα (purple).