1jps protein structure has 19 interfacial amino acids within 5.0 Å cut-off distance. After the interfacial mutation scanning step, 361 possible mutations were built. As the result of box-whisker statistics, 28 outliers were detected within a 1.5xIQR whisker threshold. Among them 8 most enriching and 20 most Depleting Mutations are proposed as designer mutations.
The most Depleting Mutation is D52F with 3.69 ΔΔG score.
The most enriching mutation is E54W with -2.92 ΔΔG score.
The residue that is most frequently leading to a binding depleting is D52.
The residue that is most frequently leading to a binding enriching is E54.
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| Position | Mutation | ΔΔG Protein Stability Score | Mutation Impact on Protein Folding | ΔΔG Binding Affinity Score | Mutation Impact on Protein Binding |
|---|---|---|---|---|---|
| Y33 | A | 1.01 | Negative | 2.35 | Negative |
| Y33 | C | -0.09 | Positive | 2.34 | Negative |
| Y33 | D | 0.99 | Negative | 2.41 | Negative |
| Y33 | H | 0.92 | Negative | 2.35 | Negative |
| Y33 | I | -0.8 | Positive | 2.45 | Negative |
| Y33 | L | -0.5 | Positive | 2.34 | Negative |
| Y33 | P | 0.59 | Negative | 2.43 | Negative |
| Y33 | S | 0.83 | Negative | 2.36 | Negative |
| Y33 | T | 0.4 | Negative | 2.44 | Negative |
| Y33 | V | -0.33 | Positive | 2.41 | Negative |
| D52 | E | 0.59 | Negative | 3.63 | Negative |
| D52 | F | -0.45 | Positive | 3.69 | Negative |
| D52 | G | 1.96 | Negative | 2.29 | Negative |
| D52 | H | 0.89 | Negative | 2.86 | Negative |
| D52 | I | -0.99 | Positive | 2.77 | Negative |
| D52 | K | 0.5 | Negative | 2.92 | Negative |
| D52 | L | -0.8 | Positive | 3.35 | Negative |
| D52 | V | -0.49 | Positive | 2.33 | Negative |
| D52 | Y | -0.7 | Positive | 3.58 | Negative |
| A101 | Y | -0.14 | Positive | 2.3 | Negative |
| E54 | M | -0.67 | Positive | -1.94 | Positive |
| E54 | W | 0.63 | Negative | -2.92 | Positive |
| N57 | F | 0.21 | Negative | -2.63 | Positive |
| N57 | Y | -0.37 | Positive | -2.16 | Positive |
| A101 | I | -1.28 | Positive | -2.37 | Positive |
| A101 | L | -1.39 | Positive | -2.4 | Positive |
| A101 | M | -0.8 | Positive | -1.96 | Positive |
| A102 | W | 0.28 | Negative | -2.27 | Positive |
