{"id":"W2054715902","doi":"10.1021/bi034601p","title":"Aromatic and Methyl NOEs Highlight Hydrophobic Clustering in the Unfolded State of an SH3 Domain","year":2003,"lang":"en","type":"article","venue":"Biochemistry","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":74,"is_retracted":false,"has_abstract":true,"ca_institutions":"SickKids Foundation; Hospital for Sick Children; University of Toronto","funders":"","keywords":"Chemistry; Conformational isomerism; Folding (DSP implementation); Indole test; Protonation; Protein folding; Crystallography; SH3 domain; Two-dimensional nuclear magnetic resonance spectroscopy; Stereochemistry; Computational chemistry; Molecule; Organic chemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.000238321,0.000141584,0.0001390746,0.00002061034,0.00003567405,0.00001770184,0.0001843916,0.0001086717,0.000002962951],"category_scores_gemma":[0.00004050912,0.0001066573,0.00003754927,0.00008420798,0.00009434859,0.000003481338,0.00004644171,0.00007587401,3.677257e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000008868788,"about_ca_system_score_gemma":0.00004199453,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001393477,"about_ca_topic_score_gemma":0.00002853892,"domain_scores_codex":[0.9992049,0.00007060347,0.0002029798,0.000246255,0.0001015196,0.0001737403],"domain_scores_gemma":[0.9994574,0.00001313117,0.00008072023,0.0003877168,0.00001422704,0.00004682747],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00002518314,0.0000278122,0.0002784219,0.00005970366,0.00001476398,0.000006359982,0.0001125105,0.00002028001,0.9986715,0.00001780181,0.00001774102,0.0007478722],"study_design_scores_gemma":[0.00045002,0.00008084296,0.0009558563,0.00002050085,0.000009810207,0.00005992514,0.0001502865,0.0001409832,0.9954594,0.002107255,0.0004065784,0.0001584928],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976557,0.001065493,0.000274158,0.00003702821,0.00003299519,0.0001226325,0.00001148868,0.000005018628,0.0007954782],"genre_scores_gemma":[0.9969438,0.0000679059,0.002726475,0.00008841558,0.00003041214,0.00001440235,0.00003766885,0.00001208898,0.00007885842],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003212101,"threshold_uncertainty_score":0.4349357,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004014445210197915,"score_gpt":0.219342136186142,"score_spread":0.2153276909759441,"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."}}