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. Author manuscript; available in PMC: 2024 Jan 9.
Published in final edited form as: J Chem Inf Model. 2022 Dec 28;63(1):335–342. doi: 10.1021/acs.jcim.2c01352

Figure 4:

Figure 4:

a. and b. the 3D structure of BA.2 (PDB: 7XB0 [24]) with two sets of mutations (colors are consistent with those in c and integrated colors indicate that mutation appears on multiple variants). a. the mutations of precious VOCs (in cyan) and BA.1 (in blue), BA.2 (in pink), BA.3 (in orange), BA.4, and BA.5 (in green). b. the mutations of the Omicron subvariants with BA.2 sublineages (pink) and BA.5 sublineages (in green). c. A comparison of predicted mutation-induced BFE changes for previous VOCs and Omicron subvariants. Previous VOCs (in cyan): Alpha, Beta, Gamma, Delta, Theta, Kappa, Lambda, and Mu; BA.1 and BA.1.1 (in blue); BA.2 (in pink); BA.3 (in light orange); BA.4 (in orange); BA.5 (in green). d BA.2 sublineages (in pink) e BA.4 sublineages (in orange) and BA.5 sublineages (in green).