Protein Language Model Embeddings Recover Evolutionary and Functional Organization Across the Ras Superfamily

The Ras protein superfamily comprises small GTPases that share a conserved G-domain but differ in flanking regions, regulation, and cellular roles. Because existing classifications rely mainly on G-domain phylogeny, this superfamily provides a useful test case for assessing whether protein language model embeddings recover biologically meaningful sequence organization consistent with established evolutionary classifications. Here, we analyzed a curated Ras superfamily dataset using three classification schemes: the classical five-family view, a G-domain phylogeny-based classification, and UniProtKB family annotation classification. We compared embeddings from multiple protein language models using supervised classification, unsupervised clustering, and residue-level ablation. Sequence-derived embeddings recovered known Ras superfamily organization across analyses. In supervised analyses, simple linear classifiers achieved high performance, indicating that Ras family and subfamily information is linearly accessible from sequence-derived embeddings. In unsupervised analyses, ESM-C-300 layer 12 gave the strongest full-protein recovery of the G-domain phylogeny-based classification, whereas ProstT5 performed best for G-domain embeddings. Residue ablation identified recurrent candidate subfamily-informative regions both within and outside the G-domain, including signals mapping to structurally coherent regions associated with subfamily-specific regulatory or interaction-related functions. Together, these results indicate that protein language model embeddings provide an effective alignment-free representation of Ras family and subfamily organization, and can highlight candidate sequence regions associated with functional specialization from sequence alone.

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Publication Details

Journal
Journal of Molecular Evolution
Published
2026-09-12
DOI
https://doi.org/10.1007/s00239-026-10349-w
Primary Topic
Genomics and Rare Diseases
Type
article
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article

Protein Language Model Embeddings Recover Evolutionary and Functional Organization Across the Ras Superfamily

Ildefonso Cases, Ana M. Rojas, Alfonso Valencia
Journal of Molecular Evolution
Genomics and Rare Diseases
article

Protein Language Model Embeddings Recover Evolutionary and Functional Organization Across the Ras Superfamily

Ildefonso Cases, Ana M. Rojas, Alfonso Valencia
article en

Abstract

The Ras protein superfamily comprises small GTPases that share a conserved G-domain but differ in flanking regions, regulation, and cellular roles. Because existing classifications rely mainly on G-domain phylogeny, this superfamily provides a useful test case for assessing whether protein language model embeddings recover biologically meaningful sequence organization consistent with established evolutionary classifications. Here, we analyzed a curated Ras superfamily dataset using three classification schemes: the classical five-family view, a G-domain phylogeny-based classification, and UniProtKB family annotation classification. We compared embeddings from multiple protein language models using supervised classification, unsupervised clustering, and residue-level ablation. Sequence-derived embeddings recovered known Ras superfamily organization across analyses. In supervised analyses, simple linear classifiers achieved high performance, indicating that Ras family and subfamily information is linearly accessible from sequence-derived embeddings. In unsupervised analyses, ESM-C-300 layer 12 gave the strongest full-protein recovery of the G-domain phylogeny-based classification, whereas ProstT5 performed best for G-domain embeddings. Residue ablation identified recurrent candidate subfamily-informative regions both within and outside the G-domain, including signals mapping to structurally coherent regions associated with subfamily-specific regulatory or interaction-related functions. Together, these results indicate that protein language model embeddings provide an effective alignment-free representation of Ras family and subfamily organization, and can highlight candidate sequence regions associated with functional specialization from sequence alone.

Journal of Molecular Evolution
Consejo Superior de Investigaciones Científicas (ES), Barcelona Supercomputing Center (ES), Centro Andaluz de Biología del Desarrollo (ES), Universitat Politècnica de Catalunya (ES)
Openalex Percentile: Top 11%
Genomics and Rare Diseases
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