Global Analysis of Aggregation Determinants in Small Protein Domains

This repository contains the datasets for the study "Global Analysis of Aggregation Determinants in Small Protein Domains". ** Important: Please register the use of these data so we can continue to collect useful datasets. ** Available Datasets: Ordered_libraries.csv: Protein names and sequences for the domains ordered in each oligo library Metagenomic_Libraries_AF_rank0_pdbs.zip: AlphaFold 2 predicted structures for the proteins in the Metagenomic libraries Protein_Family_AF_rank0_pdbs.zip: AlphaFold 2 predicted structures for the proteins in the Protein family library Metagenomic_dG.csv: cDNA display K50 and ΔGunfolding for the sequences in the Metagenomic Libraries MS_Intensity_AggregationCalcs_Protein_Fam.csv: MS normalized intensity, aggregation calculations, for each quantified protein in the Protein Family library MS_Intensity_AggregationCalcs_Metagenomic_1.csv: MS normalized intensity, aggregation calculations, for each quantified protein in the Metagenomic 1 library MS_Intensity_AggregationCalcs_Metagenomic_2.csv: MS normalized intensity, aggregation calculations, for each quantified protein in the Metagenomic 2 library Overlap_Metagenomic_1_Metagenomic_2.csv: Aggregation propensity for the overlap proteins in both the Metagenomic 1 and Metagenomic 2 libraries IndividualProt_LT_HT_Comparison.csv: Low-throughput and high-throughput aggregation measures for the 14 proteins characterized in both methods Combined_Metagenomic_Aggregation_InterpretableFeatures.csv: Dataset of interpretable protein features calculated for all quantified proteins in the Metagenomic libraries. The domains in this dataset are not filtered by radius of gyration. Protein_Family_Aggregation_InterpretableFeatures.csv: Dataset of interpretable protein features calculated for all quantified proteins in the Protein Family library. The domains in this dataset are not filtered by radius of gyration. ML_Dataset_Metagenomic_InterpretableFeatures_Cluster_Splits.csv: Machine learning dataset with interpretable features, clusters, and splits for the Metagenomic domains. The domains in this dataset were filtered to have a low radius of gyration. Metagenomic_1_cRAP_BL21DE3.fasta: Database for the Metagenomic 1 library used to search the MS files Metagenomic_2_cRAP_BL21DE3.fasta: Database for the Metagenomic 2 library used to search the MS files Protein_Family_cRAP_BL21DE3.fasta: Database for the Protein Family library used to search the MS files Fig5_TestProteins_DMS_Saprot75Pred.csv: Saprot 75°C predictions for all single point mutations for each domain in the test set