{"id":"W2000353604","doi":"10.1016/j.jmb.2012.08.019","title":"Early Hydrophobic Collapse of α1-Antitrypsin Facilitates Formation of a Metastable State: Insights from Oxidative Labeling and Mass Spectrometry","year":2012,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":24,"is_retracted":false,"has_abstract":false,"ca_institutions":"Western University","funders":"National Heart, Lung, and Blood Institute; National Institutes of Health; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Hydrogen–deuterium exchange; Folding (DSP implementation); Protein folding; Metastability; Hydrogen bond; Active site; Biophysics; Crystallography; Protein structure; Mass spectrometry; Stereochemistry; Enzyme; Biochemistry; Molecule; Organic chemistry; Chromatography","routes":{"ca_aff":true,"ca_fund":true,"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":[0.000208106,0.0001344866,0.0003520937,0.0001411447,0.00002324809,0.000006455564,0.0001312254,0.0001441958,0.000005636636],"category_scores_gemma":[0.0001106438,0.0001078771,0.0001005132,0.0001292942,0.0001204066,0.00002177303,0.00006708236,0.0001163712,5.341536e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001346297,"about_ca_system_score_gemma":0.00005029209,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003580461,"about_ca_topic_score_gemma":0.000003608652,"domain_scores_codex":[0.998958,0.0001616126,0.0004783636,0.0001152792,0.0001073221,0.0001794155],"domain_scores_gemma":[0.9989633,0.00002935223,0.0005639378,0.0001535031,0.0002132763,0.0000766239],"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":[0.0002007692,0.00003493395,0.002290259,0.0000241291,0.0002031021,0.000002883994,0.0002093666,0.00003828152,0.9966155,0.000149065,0.00001002576,0.0002217279],"study_design_scores_gemma":[0.0006828913,0.0007798187,0.001274306,0.00002102984,0.00006841128,0.00003162687,0.0001328942,0.00004206254,0.9922674,0.004357206,0.0002364818,0.0001058939],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9227864,0.0145952,0.06228204,0.00001670203,0.0000939742,0.00009302682,0.00007917226,0.000001374926,0.00005210747],"genre_scores_gemma":[0.9736963,0.0004617892,0.02570927,0.00002962121,0.00004143663,0.000001207675,0.0000423962,0.00000967393,0.000008294131],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05090992,"threshold_uncertainty_score":0.43991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005710349937270444,"score_gpt":0.2356336666940109,"score_spread":0.2299233167567405,"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."}}