2nla protein structure has 26 interfacial amino acids within 5.0 Å cut-off distance. After the interfacial mutation scanning step, 494 possible mutations were built. As the result of box-whisker statistics, 34 outliers were detected within a 2.5xIQR whisker threshold. Among them 0 most enriching and 34 most Depleting Mutations are proposed as designer mutations.

The most Depleting Mutation is G262W with 82.68 ΔΔG score.

The residue that is most frequently leading to a binding depleting is G262.

The residue that is most frequently leading to a binding enriching is V321.

Your run will be stored for 7 days on our server. You can download your run results as a gzipped format here.

For citing our work and to check the definitions of IQR etc.:

ACDEFGHIKLMNPQRSTWYVV220N223H224A227F228M231V249M250H252V253S255D256V258N260W261G262R263V265T266L267F270E317F318F319H320V321
−101234ΔΔG FoldX ScoresHeatmap for chain A of 2nlaMutationsPositions
001020304050607080
Distribution of FoldX ΔΔG ScoresFoldX ΔΔG Scores
V220N223H224A227F228M231V249M250H252V253S255D256V258N260W261G262R263V265T266L267F270E317F318F319H320V321020406080
PositionsV220N223H224A227F228M231V249M250H252V253S255D256V258N260W261G262R263V265T266L267F270E317F318F319H320V321Position Specific Distribution of FoldX ΔΔG ScoresPositionsFoldX ΔΔG Scores
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
V220 Y 0.4 Negative 5.72 Negative
V253 F -0.24 Positive 4.78 Negative
V253 W -0.64 Positive 6.72 Negative
V253 Y -0.07 Positive 6.5 Negative
D256 P 1.7 Negative 5.29 Negative
G262 A -0.25 Positive 4.75 Negative
G262 C 0.17 Negative 10.34 Negative
G262 D -0.49 Positive 19.06 Negative
G262 E -1.46 Positive 19.24 Negative
G262 F -1.57 Positive 42.56 Negative
G262 H -0.26 Positive 29.86 Negative
G262 I -1.34 Positive 29.84 Negative
G262 K -0.96 Positive 29.44 Negative
G262 L -1.31 Positive 31.27 Negative
G262 M -1.04 Positive 20.47 Negative
G262 N -0.27 Positive 19.36 Negative
G262 P -2.69 Positive 11.71 Negative
G262 Q -0.48 Positive 21.32 Negative
G262 R -0.7 Positive 28.16 Negative
G262 S -0.02 Positive 9.29 Negative
G262 T 0.1 Negative 18.31 Negative
G262 V -0.55 Positive 18.63 Negative
G262 W -1.51 Positive 82.68 Negative
G262 Y -1.64 Positive 44.16 Negative
R263 F -1.56 Positive 6.38 Negative
R263 W 0.11 Negative 9.3 Negative
R263 Y -1.29 Positive 7.54 Negative
V265 R 4.7 Negative 6.59 Negative
T266 F -1.4 Positive 13.4 Negative
T266 H -0.39 Positive 6.26 Negative
T266 K -0.74 Positive 5.5 Negative
T266 R -0.39 Positive 6.72 Negative
T266 W -1.94 Positive 19.16 Negative
T266 Y -1.43 Positive 15.03 Negative
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
V220 Y 0.4 Negative 5.72 Negative
V253 F -0.24 Positive 4.78 Negative
V253 W -0.64 Positive 6.72 Negative
V253 Y -0.07 Positive 6.5 Negative
D256 P 1.7 Negative 5.29 Negative
G262 A -0.25 Positive 4.75 Negative
G262 C 0.17 Negative 10.34 Negative
G262 D -0.49 Positive 19.06 Negative
G262 E -1.46 Positive 19.24 Negative
G262 F -1.57 Positive 42.56 Negative
G262 H -0.26 Positive 29.86 Negative
G262 I -1.34 Positive 29.84 Negative
G262 K -0.96 Positive 29.44 Negative
G262 L -1.31 Positive 31.27 Negative
G262 M -1.04 Positive 20.47 Negative
G262 N -0.27 Positive 19.36 Negative
G262 P -2.69 Positive 11.71 Negative
G262 Q -0.48 Positive 21.32 Negative
G262 R -0.7 Positive 28.16 Negative
G262 S -0.02 Positive 9.29 Negative
G262 T 0.1 Negative 18.31 Negative
G262 V -0.55 Positive 18.63 Negative
G262 W -1.51 Positive 82.68 Negative
G262 Y -1.64 Positive 44.16 Negative
R263 F -1.56 Positive 6.38 Negative
R263 W 0.11 Negative 9.3 Negative
R263 Y -1.29 Positive 7.54 Negative
V265 R 4.7 Negative 6.59 Negative
T266 F -1.4 Positive 13.4 Negative
T266 H -0.39 Positive 6.26 Negative
T266 K -0.74 Positive 5.5 Negative
T266 R -0.39 Positive 6.72 Negative
T266 W -1.94 Positive 19.16 Negative
T266 Y -1.43 Positive 15.03 Negative


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

Copyright © 2024 All Rights Reserved by Karaca Lab.

51,966 Total Pageviews