cluster5_1 protein structure has 32 interfacial amino acids within 5.0 Å cut-off distance. After the interfacial mutation scanning step, 608 possible mutations were built. As the result of box-whisker statistics, 42 outliers were detected within a 1.5xIQR whisker threshold. Among them 22 most enriching and 20 most Depleting Mutations are proposed as designer mutations.
The most Depleting Mutation is S60Y with 3.77 ΔΔG score.
The most enriching mutation is S32W with -2.47 ΔΔG score.
The residue that is most frequently leading to a binding depleting is Y170.
The residue that is most frequently leading to a binding enriching is D56.
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Position | Mutation | ΔΔG Protein Stability Score | Mutation Impact on Protein Folding | ΔΔG Binding Affinity Score | Mutation Impact on Protein Binding |
---|---|---|---|---|---|
G57 | Y | -0.38 | Positive | 1.9 | Negative |
S60 | Y | -1.49 | Positive | 3.77 | Negative |
Y102 | D | 1.21 | Negative | 1.98 | Negative |
Y102 | G | 1.85 | Negative | 2.3 | Negative |
Y102 | N | 0.97 | Negative | 1.85 | Negative |
Y102 | S | 1.41 | Negative | 2.02 | Negative |
Y152 | W | 1.47 | Negative | 2.05 | Negative |
Y170 | A | 1.5 | Negative | 2.04 | Negative |
Y170 | C | 0.68 | Negative | 2.09 | Negative |
Y170 | G | 2.45 | Negative | 2.03 | Negative |
Y170 | I | 0.34 | Negative | 1.94 | Negative |
Y170 | L | -0.36 | Positive | 1.94 | Negative |
Y170 | P | 1.39 | Negative | 2.06 | Negative |
Y170 | S | 1.59 | Negative | 2.11 | Negative |
Y170 | T | 1.9 | Negative | 2.16 | Negative |
Y170 | V | 0.61 | Negative | 2.13 | Negative |
M213 | D | 0.31 | Negative | 1.88 | Negative |
M213 | W | 0.69 | Negative | 3.26 | Negative |
L214 | Y | 0.85 | Negative | 2.18 | Negative |
P215 | R | -0.49 | Positive | 1.84 | Negative |
S32 | W | 0.1 | Negative | -2.47 | Positive |
W54 | Q | 1.72 | Negative | -1.2 | Positive |
D56 | F | 1.1 | Negative | -1.46 | Positive |
D56 | K | -0.19 | Positive | -2.04 | Positive |
D56 | N | -0.7 | Positive | -1.87 | Positive |
D56 | Q | 0.03 | Negative | -2.4 | Positive |
D56 | R | -0.7 | Positive | -1.54 | Positive |
D56 | W | 1.0 | Negative | -1.94 | Positive |
G57 | R | -1.18 | Positive | -1.59 | Positive |
D58 | F | 0.13 | Negative | -1.55 | Positive |
K66 | N | -0.78 | Positive | -1.26 | Positive |
K66 | Q | -0.37 | Positive | -1.39 | Positive |
K66 | R | -1.4 | Positive | -1.48 | Positive |
D103 | T | -0.83 | Positive | -1.83 | Positive |
Q147 | R | -0.68 | Positive | -1.68 | Positive |
D148 | E | 0.36 | Negative | -1.48 | Positive |
D148 | R | 0.05 | Negative | -1.19 | Positive |
S150 | F | 0.21 | Negative | -1.35 | Positive |
S150 | H | 0.93 | Negative | -1.32 | Positive |
S150 | R | -0.22 | Positive | -1.56 | Positive |
N151 | Q | 0.23 | Negative | -1.22 | Positive |
K212 | R | -0.43 | Positive | -1.37 | Positive |