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. Author manuscript; available in PMC: 2023 Feb 23.
Published in final edited form as: Biochemistry. 2022 Sep 15;61(19):2063–2072. doi: 10.1021/acs.biochem.2c00369

Figure 2.

Figure 2.

(a) Computational design process to obtain a stable, heme-free cyt b562 variant. Residues that change in the design round 2 compared to the round 1 are highlighted in orange, whereas mutated residues that do not change in round 2 are shown in cyan. The native R106 residue which forms cation-p interactions with designed residue W102 is shown in green. (b) Alignment of the ApoCyt design model with cyt cb562. (c) Computationally designed residues that fill in the heme pocket in the ApoCyt design model.