4G6M-matched protein structure has 21 interfacial amino acids within 5.0 Å cut-off distance. After the interfacial mutation scanning step, 399 possible mutations were built. As the result of box-whisker statistics, 12 outliers were detected within a 1.5xIQR whisker threshold. Among them 1 most enriching and 11 most Depleting Mutations are proposed as designer mutations.
The most Depleting Mutation is G33R with 14.98 ΔΔG score.
The most enriching mutation is S150W with -3.69 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 S150.
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Position | Mutation | ΔΔG Protein Stability Score | Mutation Impact on Protein Folding | ΔΔG Binding Affinity Score | Mutation Impact on Protein Binding |
---|---|---|---|---|---|
G33 | H | 4.28 | Negative | 8.61 | Negative |
G33 | R | 0.43 | Negative | 14.98 | Negative |
G33 | W | 3.53 | Negative | 13.58 | Negative |
D58 | F | -0.35 | Positive | 3.31 | Negative |
D58 | Y | -0.65 | Positive | 5.11 | Negative |
Y102 | A | 1.42 | Negative | 3.26 | Negative |
Y102 | G | 1.91 | Negative | 3.53 | Negative |
Y102 | R | -0.04 | Positive | 3.28 | Negative |
Y102 | S | 1.3 | Negative | 3.32 | Negative |
D103 | R | -1.49 | Positive | 3.51 | Negative |
D103 | Y | -2.38 | Positive | 4.23 | Negative |
S150 | W | 0.5 | Negative | -3.69 | Positive |