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cluster2_1 protein structure has 29 interfacial amino acids within 5.0 Å cut-off distance. After the interfacial mutation scanning step, 551 possible mutations were built. As the result of box-whisker statistics, 33 outliers were detected within a 1.5xIQR whisker threshold. Among them 3 most enriching and 10 most depleting mutations are proposed as designer mutations.

The most depleting mutation is D58Y with 5.98 ΔΔG score.

The most enriching mutation is K212W with -2.72 ΔΔG score.

The residue that is most frequently leading to a binding depleting is Y102.

The residue that is most frequently leading to a binding enriching is S32.

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For citing our work and to check the definitions of IQR etc.:

• Koşaca M, Yılmazbilek İ and Karaca E (2023) PROT-ON: A structure-based detection of designer PROTein interface MutatiONs Front. Mol. Biosci. 10:1063971. doi: 10.3389/fmolb.2023.1063971

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