Figure 2 | Scientific Reports

Figure 2

From: Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild type reference

Figure 2

Surface representation of Halo difference point clouds aiming at pairwise spike VOC RBD comparisons. (a) Each difference Haloij was calculated by subtracting Halo field values of the variant associated with column j from Halo field values of the variant associated with row i. Upper triangle: hydrophobicity difference Halos, difference values are scaled and colored from red (− 0.33) to blue (+ 0.33), where white (= 0) corresponds to zero difference. Lower triangle: electrostatics Halo differences with values colored from red (− 1.0) to blue (+ 1.0). Diagonal: binding interfaces of spike RBD variants in complex with hACE2. (b) WT vs. Omicron hydrophobicity difference field. (c) WT vs. Omicron electrostatics difference field. (d) Omicron RBD-hACE binding interface revealing an additional H bond between spike R493 and hACE2 E35.

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