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 6 most enriching and 27 most Depleting Mutations are proposed as designer mutations.
The most Depleting Mutation is G33R with 12.62 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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| Position | Mutation | ΔΔG Protein Stability Score | Mutation Impact on Protein Folding | ΔΔG Binding Affinity Score | Mutation Impact on Protein Binding |
|---|---|---|---|---|---|
| G33 | E | 1.91 | Negative | 3.7 | Negative |
| G33 | H | 7.44 | Negative | 3.87 | Negative |
| G33 | K | 1.5 | Negative | 3.95 | Negative |
| G33 | R | 1.34 | Negative | 12.62 | Negative |
| G33 | W | 6.19 | Negative | 11.28 | Negative |
| D58 | Y | -0.55 | Positive | 5.98 | Negative |
| Y102 | A | 1.59 | Negative | 3.58 | Negative |
| Y102 | C | 0.75 | Negative | 3.18 | Negative |
| Y102 | D | 1.4 | Negative | 3.67 | Negative |
| Y102 | E | 0.93 | Negative | 3.15 | Negative |
| Y102 | G | 1.99 | Negative | 4.31 | Negative |
| Y102 | K | 1.01 | Negative | 2.84 | Negative |
| Y102 | N | 1.07 | Negative | 3.0 | Negative |
| Y102 | P | 1.61 | Negative | 3.2 | Negative |
| Y102 | Q | 1.19 | Negative | 3.17 | Negative |
| Y102 | R | -0.13 | Positive | 2.81 | Negative |
| Y102 | S | 1.44 | Negative | 4.01 | Negative |
| Y102 | T | 1.46 | Negative | 3.69 | Negative |
| D103 | A | -0.25 | Positive | 2.94 | Negative |
| D103 | C | -1.26 | Positive | 2.77 | Negative |
| D103 | F | -2.48 | Positive | 4.49 | Negative |
| D103 | G | 0.85 | Negative | 3.37 | Negative |
| D103 | K | -1.01 | Positive | 3.22 | Negative |
| D103 | P | -1.16 | Positive | 4.05 | Negative |
| D103 | R | -1.54 | Positive | 2.91 | Negative |
| D103 | W | -1.34 | Positive | 3.55 | Negative |
| D103 | Y | -2.42 | Positive | 5.5 | Negative |
| G33 | Y | 5.12 | Negative | -2.08 | Positive |
| D56 | S | 0.7 | Negative | -2.21 | Positive |
| D56 | T | 0.06 | Negative | -2.25 | Positive |
| K212 | F | -1.18 | Positive | -1.79 | Positive |
| K212 | Q | -0.49 | Positive | -2.15 | Positive |
| K212 | W | -0.11 | Positive | -2.72 | Positive |
