{"id":"W2028554565","doi":"10.1007/s10858-011-9564-7","title":"Structure, dynamics, and ionization equilibria of the tyrosine residues in Bacillus circulans xylanase","year":2011,"lang":"en","type":"article","venue":"Journal of Biomolecular NMR","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":24,"is_retracted":false,"has_abstract":false,"ca_institutions":"Canada's Michael Smith Genome Sciences Centre; University of British Columbia","funders":"","keywords":"Chemistry; Bacillus circulans; Chemical shift; Isotopomers; Carbon-13 NMR; Deuterium; Coupling constant; Heteronuclear single quantum coherence spectroscopy; Spectral line; Nuclear magnetic resonance spectroscopy; Stereochemistry; Analytical Chemistry (journal); Crystallography; Molecule; Physical chemistry; Organic chemistry; Enzyme","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001711493,0.0001344791,0.0001170691,0.0001667332,0.0003667063,0.0002175577,0.0002394769,0.0001509295,0.001568732],"category_scores_gemma":[0.0003889989,0.0001596333,0.00009004051,0.0001229573,0.0004053641,0.0003881702,0.000130582,0.0004784705,0.0001321879],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000491177,"about_ca_system_score_gemma":0.0003224611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003820779,"about_ca_topic_score_gemma":0.002845014,"domain_scores_codex":[0.9999692,0.00000399901,7.908278e-7,0.000006788113,0.000006886691,0.00001216899],"domain_scores_gemma":[0.9998751,0.00004453481,0.00002293651,0.000005437462,0.00002143496,0.00003062611],"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":[0.001766772,0.0003062488,0.009950045,0.00007538355,0.00006167759,0.0003857023,0.0005695464,0.01519213,0.9561328,0.004525319,0.0007439273,0.01029045],"study_design_scores_gemma":[0.0002384615,0.0007810869,0.08170563,0.00002459178,0.00005728399,0.0003025858,0.0006014167,0.2603178,0.6510868,0.002775078,0.002008489,0.0001008859],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989607,0.00006893804,0.000497081,0.00004067992,0.000002234847,0.000001346428,0.00002243732,0.000008437025,0.0003979632],"genre_scores_gemma":[0.9993976,0.00005706512,0.000167669,0.00000907403,0.000001793044,0.000001752995,0.00006537329,0.000006782939,0.0002928084],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003820779,"threshold_uncertainty_score":0.007597089,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007040022746749167,"score_gpt":0.2161602272006097,"score_spread":0.2091202044538605,"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."}}