{"id":"W1981603843","doi":"10.1006/jmbi.2000.4343","title":"Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-Ψ[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY3-Ψ[CH2NH2+]-Asp19I","year":2001,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":27,"is_retracted":false,"has_abstract":false,"ca_institutions":"Medical Council of Canada; University of Alberta","funders":"National Institute of General Medical Sciences; National Institutes of Health; Alberta Heritage Foundation for Medical Research; Purdue University","keywords":"Streptomyces griseus; Hydrogen bond; Chemistry; Peptide bond; Stereochemistry; Peptide; Serine; Residue (chemistry); Crystal structure; Serine Proteinase Inhibitors; Crystallography; Protease; Serine protease; Molecule; Enzyme; Streptomyces; Organic chemistry; Biochemistry; Biology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001627485,0.0004540477,0.0005256247,0.0001220534,0.0003856715,0.0006171998,0.0005343138,0.0003397041,0.001789987],"category_scores_gemma":[0.00031207,0.0002263716,0.000229246,0.0002555309,0.0003259407,0.000277477,0.000188044,0.0009543184,0.0002531096],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007729542,"about_ca_system_score_gemma":0.0004849757,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005633264,"about_ca_topic_score_gemma":0.00463998,"domain_scores_codex":[0.9998684,0.0000142939,0.000006794708,0.00002615027,0.00005209875,0.00003223656],"domain_scores_gemma":[0.9998417,0.00003837896,0.00004707654,0.000005548546,0.0000172896,0.00005000349],"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":[0.002977461,0.0003655835,0.007748713,0.000477941,0.000195861,0.00135016,0.0003214671,0.006962836,0.9675825,0.001670171,0.001188212,0.009159117],"study_design_scores_gemma":[0.001024562,0.0007837319,0.04996672,0.00008182304,0.0003954501,0.002979353,0.0006381809,0.05160948,0.8799656,0.0007674855,0.01168114,0.0001065363],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965594,0.001038527,0.0008413158,0.00007701297,0.00001832166,0.00001141597,0.0001492491,0.00003053555,0.001274195],"genre_scores_gemma":[0.9973413,0.000490883,0.0008325237,0.00005568106,0.00000444694,0.00000935836,0.0005499144,0.00001491482,0.0007009777],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005633264,"threshold_uncertainty_score":0.01120096,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005853474617775572,"score_gpt":0.2415632982621939,"score_spread":0.2357098236444184,"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."}}