6m0j protein structure has 39 interfacial amino acids within 7.0 Å cut-off distance. After the interfacial mutation scanning step, 741 possible mutations were built. As the result of box-whisker statistics, 197 outliers were detected within a 1.5xIQR whisker threshold. Among them 54 most enriching and 143 most Depleting Mutations are proposed as designer mutations.

The most Depleting Mutation is G447R with 13.92 ΔΔG score.

The most enriching mutation is Q493F with -2.67 ΔΔG score.

The residue that is most frequently leading to a binding depleting is Y449.

The residue that is most frequently leading to a binding enriching is Q493.

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Final List of Proposed Designer Mutations
Position Mutation ΔΔG Protein Stability Score Mutation Impact on Protein Folding ΔΔG Binding Affinity Score Mutation Impact on Protein Binding
K417 A 0.73 Negative 1.31 Negative
K417 C -0.32 Positive 1.3 Negative
K417 D 0.79 Negative 1.38 Negative
K417 E 0.24 Negative 1.31 Negative
K417 G 1.43 Negative 1.32 Negative
K417 H 1.14 Negative 1.31 Negative
K417 I -1.05 Positive 1.22 Negative
K417 L -1.0 Positive 1.47 Negative
K417 M -0.47 Positive 1.21 Negative
K417 N 0.22 Negative 1.36 Negative
K417 P 0.28 Negative 1.31 Negative
K417 Q 0.59 Negative 0.99 Negative
K417 S 0.74 Negative 1.32 Negative
K417 T 0.22 Negative 1.31 Negative
K417 V -0.55 Positive 1.33 Negative
K417 Y -0.03 Positive 1.17 Negative
G447 H 6.05 Negative 2.02 Negative
G447 K 2.36 Negative 6.61 Negative
G447 L 2.01 Negative 0.95 Negative
G447 M 2.21 Negative 1.69 Negative
G447 R 1.1 Negative 13.92 Negative
G447 Y 3.49 Negative 5.7 Negative
Y449 A 1.34 Negative 2.71 Negative
Y449 C 0.53 Negative 2.73 Negative
Y449 D 1.42 Negative 2.71 Negative
Y449 E 1.05 Negative 2.71 Negative
Y449 F 0.41 Negative 2.59 Negative
Y449 G 1.91 Negative 2.71 Negative
Y449 H 1.34 Negative 2.87 Negative
Y449 I -0.1 Positive 2.73 Negative
Y449 K 0.85 Negative 1.54 Negative
Y449 L -0.04 Positive 2.75 Negative
Y449 M 0.25 Negative 2.76 Negative
Y449 N 0.58 Negative 2.79 Negative
Y449 P 0.85 Negative 2.71 Negative
Y449 Q 1.06 Negative 2.33 Negative
Y449 R -0.66 Positive 2.88 Negative
Y449 S 1.31 Negative 2.71 Negative
Y449 T 0.91 Negative 2.73 Negative
Y449 V 0.3 Negative 2.73 Negative
Y449 W 1.77 Negative 2.72 Negative
L455 R 0.91 Negative 1.0 Negative
L455 Y 0.39 Negative 5.64 Negative
F456 A 2.33 Negative 1.63 Negative
F456 C 1.34 Negative 1.56 Negative
F456 D 2.33 Negative 1.85 Negative
F456 E 1.79 Negative 1.85 Negative
F456 G 3.38 Negative 1.66 Negative
F456 H 1.51 Negative 1.58 Negative
F456 I -0.05 Positive 1.5 Negative
F456 K 1.49 Negative 1.4 Negative
F456 L -0.14 Positive 1.28 Negative
F456 M 0.28 Negative 1.34 Negative
F456 N 1.81 Negative 1.85 Negative
F456 P 1.13 Negative 1.64 Negative
F456 Q 1.42 Negative 1.22 Negative
F456 R 0.99 Negative 0.96 Negative
F456 S 2.35 Negative 1.71 Negative
F456 T 1.93 Negative 1.57 Negative
F456 V 0.97 Negative 1.56 Negative
F456 Y 0.19 Negative 1.63 Negative
A475 E -0.92 Positive 1.28 Negative
A475 H -0.09 Positive 1.34 Negative
A475 K -0.69 Positive 1.1 Negative
A475 R -1.2 Positive 2.05 Negative
A475 W -0.5 Positive 5.58 Negative
F486 A -0.27 Positive 1.98 Negative
F486 C -0.97 Positive 1.6 Negative
F486 D -0.31 Positive 2.05 Negative
F486 E -0.67 Positive 2.67 Negative
F486 G 0.45 Negative 2.16 Negative
F486 H 0.31 Negative 2.24 Negative
F486 I -1.71 Positive 1.76 Negative
F486 L -1.56 Positive 1.0 Negative
F486 N -0.53 Positive 1.99 Negative
F486 P -0.67 Positive 1.78 Negative
F486 Q -0.43 Positive 2.72 Negative
F486 R -0.82 Positive 0.94 Negative
F486 S -0.3 Positive 2.05 Negative
F486 T -0.7 Positive 1.33 Negative
F486 V -1.29 Positive 1.19 Negative
F486 W -0.02 Positive 1.8 Negative
F486 Y -0.65 Positive 1.74 Negative
Y489 C 0.92 Negative 1.39 Negative
Y489 D 1.76 Negative 1.91 Negative
Y489 E 1.06 Negative 0.94 Negative
Y489 G 2.62 Negative 0.88 Negative
Y489 K 0.98 Negative 1.45 Negative
Y489 N 1.27 Negative 1.86 Negative
Y489 Q 1.44 Negative 1.82 Negative
Y489 S 1.74 Negative 0.9 Negative
Y489 T 1.3 Negative 1.36 Negative
Y489 V 0.59 Negative 1.16 Negative
G496 D -0.48 Positive 1.15 Negative
G496 F -0.19 Positive 1.3 Negative
G496 H -0.11 Positive 3.11 Negative
G496 L -2.0 Positive 1.62 Negative
G496 N -0.74 Positive 1.4 Negative
G496 Y -1.09 Positive 1.2 Negative
T500 A 0.39 Negative 1.51 Negative
T500 C -0.37 Positive 1.97 Negative
T500 D 0.39 Negative 1.56 Negative
T500 G 1.16 Negative 1.5 Negative
T500 I -1.27 Positive 1.65 Negative
T500 K 0.09 Negative 1.09 Negative
T500 L -1.24 Positive 1.24 Negative
T500 N 0.13 Negative 1.3 Negative
T500 P -0.69 Positive 1.54 Negative
T500 R -0.27 Positive 1.4 Negative
T500 S 0.38 Negative 1.62 Negative
T500 V -0.79 Positive 1.86 Negative
T500 W -0.87 Positive 0.97 Negative
T500 Y -1.73 Positive 0.96 Negative
N501 R -0.32 Positive 1.93 Negative
G502 D -1.09 Positive 1.07 Negative
G502 E -1.46 Positive 1.29 Negative
G502 I -2.54 Positive 1.07 Negative
G502 K -1.27 Positive 2.59 Negative
G502 N -1.7 Positive 1.18 Negative
G502 P -1.62 Positive 3.88 Negative
G502 Q -0.98 Positive 2.23 Negative
G502 R -1.74 Positive 2.38 Negative
G502 S -0.89 Positive 1.1 Negative
G502 T -1.46 Positive 1.97 Negative
Y505 A 1.04 Negative 2.79 Negative
Y505 C 0.22 Negative 2.48 Negative
Y505 D 0.92 Negative 3.08 Negative
Y505 E 0.42 Negative 2.74 Negative
Y505 F 0.16 Negative 0.88 Negative
Y505 G 1.75 Negative 3.14 Negative
Y505 H 1.25 Negative 2.78 Negative
Y505 I -0.2 Positive 1.62 Negative
Y505 K 0.79 Negative 2.39 Negative
Y505 L -0.38 Positive 1.83 Negative
Y505 M 0.09 Negative 1.53 Negative
Y505 N 0.81 Negative 3.17 Negative
Y505 P 0.51 Negative 2.73 Negative
Y505 Q 0.9 Negative 2.69 Negative
Y505 R 0.16 Negative 2.31 Negative
Y505 S 0.96 Negative 3.06 Negative
Y505 T 0.71 Negative 2.64 Negative
Y505 V 0.14 Negative 2.02 Negative
Y505 W 0.75 Negative 1.27 Negative
K417 R -0.26 Positive -0.62 Positive
V445 W 1.47 Negative -0.76 Positive
V445 Y 0.66 Negative -0.69 Positive
G446 R -1.13 Positive -0.83 Positive
G447 E 2.72 Negative -0.58 Positive
L455 M 0.72 Negative -0.95 Positive
L455 N 1.59 Negative -1.42 Positive
L455 W 1.05 Negative -0.56 Positive
A475 I -1.61 Positive -0.73 Positive
A475 V -0.93 Positive -0.59 Positive
G476 K 0.07 Negative -1.22 Positive
G476 R -0.4 Positive -1.24 Positive
E484 Q 0.08 Negative -1.31 Positive
N487 C -0.63 Positive -0.64 Positive
N487 I -1.36 Positive -0.98 Positive
N487 K -0.65 Positive -1.38 Positive
N487 L -1.83 Positive -0.53 Positive
N487 M -1.12 Positive -2.1 Positive
N487 R -1.33 Positive -0.99 Positive
N487 T 0.54 Negative -0.59 Positive
N487 V -0.56 Positive -0.58 Positive
Y489 F 0.06 Negative -0.68 Positive
Y489 W 1.04 Negative -0.57 Positive
Q493 F -0.77 Positive -2.67 Positive
Q493 H -0.17 Positive -0.7 Positive
Q493 I -1.45 Positive -0.94 Positive
Q493 K -1.14 Positive -1.69 Positive
Q493 L -1.53 Positive -0.85 Positive
Q493 M -0.99 Positive -1.82 Positive
Q493 R -1.54 Positive -1.13 Positive
Q493 W 0.53 Negative -1.6 Positive
Q493 Y -1.02 Positive -2.19 Positive
G496 R -0.35 Positive -0.68 Positive
G496 S -0.51 Positive -1.28 Positive
G496 T -0.12 Positive -0.84 Positive
Q498 D 0.21 Negative -0.72 Positive
Q498 E -0.55 Positive -0.52 Positive
Q498 F -0.99 Positive -0.67 Positive
Q498 I -1.41 Positive -1.01 Positive
Q498 K -0.55 Positive -1.17 Positive
Q498 L -1.56 Positive -0.74 Positive
Q498 M -1.22 Positive -0.99 Positive
Q498 N -0.05 Positive -0.85 Positive
Q498 S -0.09 Positive -1.43 Positive
Q498 T -0.31 Positive -1.82 Positive
Q498 Y -1.19 Positive -0.64 Positive
N501 L -0.61 Positive -0.71 Positive
G502 F -0.41 Positive -0.57 Positive
G502 M -1.72 Positive -0.8 Positive
V503 F 1.21 Negative -0.7 Positive
V503 K 0.81 Negative -1.44 Positive
V503 R 0.32 Negative -1.19 Positive
V503 W 1.79 Negative -0.55 Positive
V503 Y 0.62 Negative -0.93 Positive


This study was funded by TÜSEB (Project code: 2019-TA-02, Project number: 3393) and EMBO IG 4421.

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