1jps protein structure has 8 interfacial amino acids within 5.0 Å cut-off distance. After the interfacial mutation scanning step, 152 possible mutations were built. As the result of box-whisker statistics, 15 outliers were detected within a 1.5xIQR whisker threshold. Among them 3 most enriching and 2 most depleting mutations are proposed as designer mutations.
The most depleting mutation is S94P with 2.25 ΔΔG score.
The most enriching mutation is E93Q with -1.99 ΔΔG score.
The residue that is most frequently leading to a binding depleting is Y32.
The residue that is most frequently leading to a binding enriching is E93.
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Position | Mutation | ΔΔG Binding Score | ΔΔG Stability Score | |
---|---|---|---|---|
S94 | P | 2.25 | -0.76 | |
S94 | W | 1.84 | -1.73 | |
K30 | R | -1.65 | -0.7 | |
E93 | M | -1.4 | -0.4 | |
E93 | Q | -1.99 | -0.05 | |