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Updated: Jun 6, 2026

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
Published on: July 16, 2017
Modeling compositional dynamics based on GC and purine contents of protein-coding sequences
1Plant Stress Genomics Research Center, Division of Chemical and Life Sciences and Engineering, King Abdullah University of Science and Technology, Thuwal 23955-6900, Kingdom of Saudi Arabia.
We developed two models to predict genome composition based on mutation and selection, offering insights into molecular evolution. These models accurately estimate nucleotide, codon, and amino acid compositions across diverse species.
Area of Science:
- Genomics
- Molecular Evolution
- Bioinformatics
Background:
- Understanding genome compositional dynamics is crucial for molecular evolution studies.
- Quantifying theoretical compositional variations across diverse genomes remains challenging.
Purpose of the Study:
- To propose two models for predicting the compositional dynamics of protein-coding sequences.
- To account for mutation and selection effects at different codon positions.
- To utilize GC and purine content as key compositional parameters.
Main Methods:
- Developed two theoretical models for nucleotide, codon, and amino acid composition.
- Models do not require homologous sequences or alignments.
- Evaluated models on a large dataset of Archaea, Bacteria, and Eukarya protein-coding sequences.
Main Results:
- Achieved consistent theoretical compositions across all evaluated sequences.
- Demonstrated that GC and purine content largely determine nucleotide, codon, and amino acid compositions.
- Validated the models' ability to predict compositional dynamics.
Conclusions:
- Nucleotide, codon, and amino acid compositions are primarily governed by GC and purine content.
- Deviations from expected compositions may indicate signatures of mutation and selection.
- Suggests a link between DNA replication/repair mechanisms and compositional signatures.
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