ProteinTraitsMech

Knowledge base of protein sequence, structure, and function traits — one YAML per trait, LinkML-validated, with evidence-backed causal graphs.

429,377trait records 118,314Structure 147,133Sequence 391Seq+Struct 163,527Function 12Evolution 34sources

Record browser

Faceted, client-side browser over all protein-trait records — search by label, identifier, or definition; filter by axis, category, and source. Each record shows semantically related traits from a local text-embedding model.

Three 2-D maps sit alongside it: the corpus map projects a retained subset of record text embeddings (full-record or definition-only), the protein map lays out 68,657 Swiss-Prot proteins by the traits they carry, coloured by domain of life, and the sequence map lays out the canonical-example proteins by their ESM-2 protein-language-model embedding — sequence only, no annotation in the input — coloured by domain of life and filterable by sequence length and, for the half of them that carry one, by CATH class.

Schema & docs

The LinkML schema (ProteinTraitRecord, causal graphs), a worked P25888 example, and the curation model.

Molecular explanations pilot

A research comparison of SLC10 proteins: experimentally observed contacts, derived residue correspondence, assay results, and source-backed mechanisms. Conserved sites are not automatically functional sites.

GitHub

Source YAML records, schema, build scripts, and the curation workflow.

Trait axes

Trait categories

Every record carries a fine-grained trait_category. Counts link into the browser pre-filtered to that subset.

Current trait categories
CategoryAxisRecords
SEQ_DOMAINSEQUENCE75,935
STRUCT_FOLDSTRUCTURE55,735
SEQ_FAMILYSEQUENCE36,096
FUNC_PROTEIN_FAMILYFUNCTION32,616
FUNC_ORTHOLOG_GROUPFUNCTION31,819
FUNC_PATHWAYFUNCTION28,098
FUNC_ENZYMATIC_ACTIVITYFUNCTION26,003
STRUCT_INTERFACESTRUCTURE20,639
FUNC_INTERACTION_PARTNERFUNCTION20,579
SEQ_EPITOPESEQUENCE20,000
STRUCT_HOMOLOGOUS_SUPERFAMILYSTRUCTURE15,177
STRUCT_DOMAINSTRUCTURE13,514
FUNC_MOLECULAR_FUNCTIONFUNCTION10,041
FUNC_RESISTANCEFUNCTION7,452
STRUCT_BINDING_SITESTRUCTURE6,021
SEQ_HOMOLOGOUS_SUPERFAMILYSEQUENCE5,699
STRUCT_TOPOLOGYSTRUCTURE5,427
FUNC_LOCALIZATIONFUNCTION4,076
SEQ_MOTIFSEQUENCE3,121
FUNC_TRANSPORTFUNCTION2,285
SEQ_REPEATSEQUENCE2,087
SEQ_PTM_SITESEQUENCE1,252
STRUCT_ACTIVE_SITESTRUCTURE1,004
SEQ_CLEAVAGE_SITESEQUENCE841
SEQ_CONSERVATIONSEQUENCE775
SEQ_MODIFIED_RESIDUESEQUENCE618
STRUCT_CLASSSTRUCTURE299
STRUCT_METAL_SITESTRUCTURE292
FUNC_COFACTOR_REQUIREMENTFUNCTION287
MIXED_TRANSMEMBRANESEQUENCE_STRUCTURE262
SEQ_DISORDERSEQUENCE202
FUNC_INTERACTION_TYPEFUNCTION147
SEQ_ACTIVE_SITESEQUENCE133
MIXED_STRUCTURAL_REPEATSEQUENCE_STRUCTURE122
SEQ_GLYCOSYLATION_SITESEQUENCE85
SEQ_BINDING_SITESEQUENCE82
FUNC_BINDING_CAPACITYFUNCTION69
SEQ_CROSSLINK_SITESEQUENCE69
STRUCT_ARCHITECTURESTRUCTURE64
FUNC_ENVIRONMENTAL_RESPONSEFUNCTION55
SEQ_LIPIDATION_SITESEQUENCE40
STRUCT_STABILITYSTRUCTURE37
STRUCT_SECONDARYSTRUCTURE34
SEQ_TARGETING_SIGNALSEQUENCE31
SEQ_LEADER_PEPTIDESEQUENCE20
STRUCT_DYNAMICSSTRUCTURE18
STRUCT_SURFACESTRUCTURE16
STRUCT_QUATERNARYSTRUCTURE11
SEQ_COMPOSITIONSEQUENCE10
STRUCT_SYMMETRYSTRUCTURE9
MIXED_COILED_COILSEQUENCE_STRUCTURE7
SEQ_TRANSIT_PEPTIDESEQUENCE7
STRUCT_CAVITYSTRUCTURE7
EVO_CONSERVATIONEVOLUTION6
EVO_PANGENOMEEVOLUTION6
SEQ_PROPEPTIDESEQUENCE6
SEQ_SIGNAL_PEPTIDESEQUENCE6
SEQ_INITIATOR_METHIONINESEQUENCE5
SEQ_MATURE_CHAINSEQUENCE5
STRUCT_ALLOSTERIC_SITESTRUCTURE5
STRUCT_DISULFIDESTRUCTURE5
SEQ_LOW_COMPLEXITYSEQUENCE4
SEQ_NONSTANDARD_RESIDUESEQUENCE4

Corpus at a glance — sources

Current source counts come from the same index as the record browser. Integration notes and directories retain source context; each count links to the matching source filter.

Current corpus sources
SourceRecordsIntegration notes and directories
LinkML LSF29,202
LinkML LocalStructuralFeature valueset
data/traits/structure/{secondary,active_site,binding_site,cavity,disulfide,metal_site,dynamics,interface}/
PROSITE6,174
PROSITE PATTERN (generic)
data/traits/sequence/pattern/
PROSITE PATTERN routed to PTM subtypes
data/traits/sequence/{modified_residue,glycosylation,crosslink}/
PROSITE MATRIX (profile)
data/traits/sequence/profile/
PROSITE ProRule (DC=Domain)
data/traits/structure/domain/
PROSITE ProRule (DC=Site, keyword-routed)
data/traits/sequence/{modified_residue,glycosylation,prorule}/
TED13,860
TED novel folds (Zenodo v5)
data/traits/structure/fold/novel/
TED highly-symmetric folds
data/traits/structure/fold/high_symmetry/
PSI-MOD1,971
PSI-MOD (CC-BY-4.0)
data/traits/sequence/{modified_residue,glycosylation,lipidation,crosslink,ptm_ontology}/
ECOD45,113
ECOD v295 (A/X/H/T/F hierarchy)
data/traits/structure/{architecture,homologous_superfamily,topology,fold/ecod}/
SCOPe22,810
SCOPe 2.08 — Class/Fold/Superfamily/Family/Domain (Berkeley; instances px/sp excluded)
data/traits/structure/{class,fold,homologous_superfamily,domain}/scope/
M-CSA1,003
M-CSA (CC-BY-4.0)
data/traits/structure/active_site/mcsa/
DisProt35
DisProt — 32 IDPO disorder classes (structural state/transition/function; proteins as examples) (CC-BY-4.0)
data/traits/sequence/disorder/
PSI-MI147
PSI-MI interaction types (CC-BY-4.0)
data/traits/function/interaction_partner/psi_mi/
METPO119
METPO ecophysiological traits (growth preferences, tolerances, metabolism; CC-BY-4.0)
data/traits/function/{environmental_response,enzymatic_activity}/metpo/
PATO37
PATO physicochemical qualities (CC-BY-4.0)
data/traits/structure/{stability,dynamics,surface}/pato/
curated145
Curated stability taxonomy — per-condition (thermal, oxidative, saline, pH, osmotic, pressure, desiccation, chemical, proteolytic, mechanical) × increased/decreased (historical records retain CC0; current project contributions: CC BY 4.0)
data/traits/structure/stability/conditions/
Curated evolutionary / pangenome traits — conserved, clade-specific, variable; pangenome core/soft-core/shell/cloud/persistent/singleton (historical records retain CC0; current project contributions: CC BY 4.0)
data/traits/evolution/{conservation,pangenome}/
Curated RiPP leader-peptide classes — lanthipeptide/lasso/sactipeptide/… (historical records retain CC0; current project contributions: CC BY 4.0)
data/traits/sequence/leader_peptide/
InterPro26,264
InterPro entries — Domain / Homologous-superfamily / Repeat / Conserved-/Active-/Binding-site / PTM (public domain; GO via interpro2go → mapped_xrefs)
data/traits/{structure,sequence}/…/interpro/
Pfam31,025
Pfam-A families — Domain/Family→domain, Repeat, Coiled-coil, Disordered, Motif (public domain; GO+InterPro via pfam2go/pfam2interpro → mapped_xrefs)
data/traits/{structure/domain,sequence/repeat,mixed/coiled_coil,sequence/disorder,sequence/motif}/pfam/
CATH8,151
CATH-Gene3D hierarchy — Class/Architecture/Topology/Homologous-superfamily (CC-BY 4.0)
data/traits/structure/{class,architecture,topology,homologous_superfamily}/cath/
Reactome2,883
Reactome pathways — Homo sapiens reference set (CC0)
data/traits/function/pathway/reactome/
CARD/ARO7,452
CARD/ARO — antibiotic-resistance determinants + mechanisms (CC-BY 4.0)
data/traits/function/resistance/aro/
TCDB2,285
TCDB transport classification — Class/Subclass/Family (CC-BY-SA 3.0; 946 families ChEBI-grounded)
data/traits/function/transport/tcdb/
COG4,903
COG 2020 orthologous groups + 26 functional categories (US Gov public domain)
data/traits/function/ortholog_group/cog/
Rhea18,558
Rhea reactions — enzymatic reactions + ChEBI participants (CC-BY 4.0; EC via rhea2ec)
data/traits/function/enzymatic_activity/rhea/
ExPASy ENZYME7,375
ExPASy ENZYME — complete EC hierarchy (CC-BY 4.0; GO/RHEA mapped, KEGG direct, DR examples)
data/traits/function/enzymatic_activity/ec/
RepeatsDB122
RepeatsDB — structural tandem-repeat Class/Topology/Fold/Clan (CC-BY 4.0)
data/traits/sequence_structure/structural_repeat/repeatsdb/
NCBIfam38,394
NCBIfam (ex-TIGRFAMs) — prokaryotic family HMMs (US-gov public domain)
data/traits/structure/domain/ncbifam/
CDD38,218
CDD — NCBI-curated conserved domains + PRK clusters + KOG ortholog groups (US-gov public domain)
data/traits/{structure/domain,function/ortholog_group}/cdd/
IDEAL1
IDEAL — ProS (protean segment) trait; 1,448 IDPs as examples (CC-BY 4.0)
data/traits/sequence/disorder/
ELM353
ELM (Eukaryotic Linear Motif) — targeting/cleavage/motif classes (⚠ non-commercial)
data/traits/sequence/{targeting_signal,cleavage_site,ptm_site,motif}/elm/
MEROPS370
MEROPS peptidase families — S/C/A/M/… catalytic classes (EBI; academic)
data/traits/structure/domain/merops/
HAMAP2,394—
PANTHER15,489—
PRINTS2,106—
SFLD303—
UniProtKB5—
eLife metallophores20—
manual102,090—
Total corpus429,377

Retired integration: UniProtKB FT/CC/GO demultiplexer (seed_uniprot.py) — demo retired; real entries now attach as canonical_examples on class traits via fetch_uniprot_examples.py

Curation model

Every record is a stand-alone YAML with an identifier (source-anchored CURIE when possible), label + definition with provenance, trait_axis + trait_category, parent_traits / xrefs / synonyms, an optional sequence_pattern, optional canonical_examples (UniProtKB exemplars), optional evidence-backed causal_graphs (every edge cites ≥1 reference), and an append-only curation_history. Seeded records land as SEEDED; curator review flips them to REVIEWED.

Map coverage is recorded with the published embedding snapshot.