Mutation Stability Prediction (MSP)

• Impact: Identifying mutations that stabilize a protein’s interactions is a key task in designing new proteins. Experimental techniques for probing these are labor intensive, motivating the development of efficient computational methods.
• Dataset description: We derive a novel dataset by collecting single-point mutations from the SKEMPI database (Jankauskaitė et al., 2019) and model each mutation into the structure to produce mutated structures.
• Task: We formulate this as a binary classification task where we predict whether the stability of the complex increases as a result of the mutation.
• Splitting criteria: We split protein complexes by sequence identity at 30%.
• Downloads: The full dataset, split data, and split indices are available for download via Zenodo (doi:10.5281/zenodo.4962515)

References

Jankauskaite, J., Jiménez-García, B., et al. (2019). Bioinformatics, 35(3), 462–469.

License

This dataset is licensed under a Creative Commons CC-BY license.