TY - JOUR
T1 - AlphaFold2 Can Predict Single-Mutation Effects
AU - Mcbride, John M.
AU - Polev, Konstantin
AU - Abdirasulov, Amirbek
AU - Reinharz, Vladimir
AU - Grzybowski, Bartosz A.
AU - Tlusty, Tsvi
N1 - Publisher Copyright:
© 2023 American Physical Society.
PY - 2023/11/24
Y1 - 2023/11/24
N2 - AlphaFold2 (AF) is a promising tool, but is it accurate enough to predict single mutation effects Here, we report that the localized structural deformation between protein pairs differing by only 1-3 mutations - as measured by the effective strain - is correlated across 3901 experimental and AF-predicted structures. Furthermore, analysis of ∼11 000 proteins shows that the local structural change correlates with various phenotypic changes. These findings suggest that AF can predict the range and magnitude of single-mutation effects on average, and we propose a method to improve precision of AF predictions and to indicate when predictions are unreliable.
AB - AlphaFold2 (AF) is a promising tool, but is it accurate enough to predict single mutation effects Here, we report that the localized structural deformation between protein pairs differing by only 1-3 mutations - as measured by the effective strain - is correlated across 3901 experimental and AF-predicted structures. Furthermore, analysis of ∼11 000 proteins shows that the local structural change correlates with various phenotypic changes. These findings suggest that AF can predict the range and magnitude of single-mutation effects on average, and we propose a method to improve precision of AF predictions and to indicate when predictions are unreliable.
UR - https://www.scopus.com/pages/publications/85178462590
U2 - 10.1103/PhysRevLett.131.218401
DO - 10.1103/PhysRevLett.131.218401
M3 - Article
C2 - 38072605
AN - SCOPUS:85178462590
SN - 0031-9007
VL - 131
JO - Physical Review Letters
JF - Physical Review Letters
IS - 21
M1 - 218401
ER -