
Supporting data and code for: Pesce, F., Bremer, A., Tesei, G., Hopkins, J. B., Grace, C. R., Mittag, T., & Lindorff-Larsen, K. (2023). Design of intrinsically disordered protein variants with diverse structural properties. bioRxiv. Molecular dynamics simulations are available on ERDA. List of content: CODE: Python code to reproduce simulations (single- and multi-chain) and run the design algorithm (using Rg or contact maps as structural targets). EVOLUTION_DATA: Data produced by running the design algorithm. NMR: Raw PFG-NMR measurements of A1-LCD and V1 at 34°C. SAXS: Solvent subtracted and averaged SEC-SAXS measurements of A1-LCD and V2–V5. 120centroids_data.pkl: Sequences, Rg and sequence features of 120 representative A1-LCD swap variants generated by designing more compact variants. Figures.ipynb: Jupyter notebook to reproduce the figures in the main text of the paper. IDPDesigner.ipynb: Google Colab notebook to design IDP sequences with a specific scaling exponent. V1-5_WT_csat.xlsx: Measured saturation concentration values for A1-LCD and V1–V5. exp_sequences.fasta: Sequences of A1-LCD and V1–V5 experimentally characterized. no_expression_sequences.fasta: Sequences of swap variants of A1-LCD that did not express in E. coli.
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