{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008378669,0.0003635108,0.001112317,0.0003759534,0.0001423029,0.00002573596,0.0003942662,0.000280069,0.00005062732],"category_scores_gemma":[0.0008859219,0.0001741049,0.000302053,0.0008113218,0.001122794,0.00009616561,0.0002931397,0.0006989418,1.810459e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007507206,"about_ca_system_score_gemma":0.000263991,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002349326,"about_ca_topic_score_gemma":0.0002497329,"domain_scores_codex":[0.996644,0.0007930483,0.001244207,0.000343352,0.000608007,0.0003673941],"domain_scores_gemma":[0.9969173,0.000142933,0.001499153,0.0006173541,0.0006338307,0.0001894344],"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":[0.002814202,0.0001391286,0.03024922,0.0001123473,0.000331995,0.00009277816,0.0005079989,0.0001237741,0.9636312,0.001656602,0.000216937,0.0001237733],"study_design_scores_gemma":[0.0216199,0.002333978,0.1169275,0.001832913,0.0006581848,0.001756223,0.001736607,0.0001243664,0.8428593,0.009478438,0.0002777699,0.0003948891],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939801,0.0004888469,0.0003494517,0.003762242,0.00004776177,0.001104542,0.0001980193,0.000006191482,0.00006282907],"genre_scores_gemma":[0.9982666,0.000040116,0.001061629,0.000424715,0.0001349536,0.000007966665,0.00002116076,0.00002332328,0.0000194858],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.120772,"threshold_uncertainty_score":0.709979,"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."}}