Structural Models and Sequence Alignment Results of the Rhodospirillum rubrum Proteome

Dataset · Fri Jul 07 04:00:00 EDT 2023

DOI:https://doi.org/10.13139/ORNLNCCS/1987876· OSTI ID:1987876

Davidson, Russell B ^[1]; Coletti, Mark; Gao, Mu; Sedova, Ada

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1. ORNL-OLCF

This dataset contains the structural models for the primary transcripts of the Rhodospirillum rubrum proteome as well as sequence alignment results for a subset of the encoded proteins. For each protein, the five models inferred from AlphaFold 2 are provided. The largest pTM-scoring model for each protein was energy minimized; this minimized structure as well as its AlphaFold pickle output file are also provided. This set of structures represent an alternate source of models for the R. rubrum proteome to those available in the AlphaFold Protein Structure Database. For proteins that have been annotated as "hypothetical", sequence alignment results from the HHblits and SAdLSA alignment methods are provided. These methods are often more capable to resolve sequence homology than other methods. Therefore, the results from both HHblits and SAdLSA are provided to identify possible homologs for these challenging proteins. Numerous sequence databases are utilized for these alignments.

• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: Office of Science (SC); Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
• OSTI ID: 1987876
• Country of Publication: United States
• Language: English

Related Subjects

59 BASIC BIOLOGICAL SCIENCES
74 ATOMIC AND MOLECULAR PHYSICS
97 MATHEMATICS AND COMPUTING
Protein Structure Prediction
Protein Sequence Alignment
Functional Annotation