{"id":"W6902181599","doi":"10.6084/m9.figshare.22612921","title":"Additional file 2 of Determinants of substrate specificity in a catalytically diverse family of acyl-ACP thioesterases from plants","year":2023,"lang":"en","type":"article","venue":"Figshare","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"","keywords":"Thioesterase; Protein Data Bank (RCSB PDB); Homotetramer; Crystal structure; Catalytic triad; Hydrolase; Homology modeling; Protein structure; Phosphodiester bond; Dimer","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00002671318,0.00008371206,0.0002136477,0.00007535495,0.00002459441,0.000006613095,0.0001771043,0.00006648123,0.9198852],"category_scores_gemma":[0.0006933124,0.00007527055,0.00004433294,0.0001590116,0.00002376911,0.0001244025,0.0001501288,0.00004931687,0.0007159183],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009679042,"about_ca_system_score_gemma":0.00006098251,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001316516,"about_ca_topic_score_gemma":0.0003374373,"domain_scores_codex":[0.9991552,0.00002340072,0.0002935487,0.0001683653,0.0002304153,0.0001290839],"domain_scores_gemma":[0.9987912,0.0007472963,0.0002017134,0.0001574603,0.00007175745,0.00003062589],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"observational","study_design_scores_codex":[0.00005285228,0.00002572638,0.0003534331,0.00009156089,0.000003235235,0.00002657,0.000153219,0.00001370691,0.03112985,7.279241e-7,0.9679182,0.000230941],"study_design_scores_gemma":[0.0002866165,0.00008478599,0.7671154,0.002743606,0.000005378943,0.000002503135,0.0002958829,0.0001428778,0.2231421,0.0001865375,0.005846428,0.0001478487],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"dataset","genre_gemma":"empirical","genre_scores_codex":[0.4034573,0.000003234831,2.975332e-8,5.205641e-7,0.00002987149,0.00004244609,0.5960987,0.00001043673,0.0003574763],"genre_scores_gemma":[0.5174809,7.691556e-7,0.00007355289,0.00000826083,0.00003738859,0.00003068765,0.4823088,0.000005080183,0.00005462646],"genre_candidate":"dataset","genre_consensus":null,"teacher_disagreement_score":0.9620718,"threshold_uncertainty_score":0.920192,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05004032064150239,"score_gpt":0.2517922874950761,"score_spread":0.2017519668535737,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}