{"id":"W2341272831","doi":"10.1016/j.bpj.2015.11.858","title":"Prediction and Selection of Spin Label Rotamers for High-Resolution Insight into Protein Structures by DEER Spectroscopy","year":2016,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Electron Spin Resonance Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Conformational isomerism; Site-directed spin labeling; Chemistry; Nitroxide mediated radical polymerization; Spin label; Electron paramagnetic resonance; Spectroscopy; Crystallography; Globular protein; Cysteine; Protein structure; Nuclear magnetic resonance; Molecule; Biochemistry; Physics; 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":[0.0000651555,0.0001142334,0.0001320259,0.00002992862,0.0001176398,0.00001306524,0.0000606725,0.00008706899,0.000003395377],"category_scores_gemma":[0.00005414988,0.00007727763,0.00004513628,0.00005594674,0.0001239286,0.00001025796,0.00002843763,0.0000736818,4.714967e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003971748,"about_ca_system_score_gemma":0.00003795926,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009168194,"about_ca_topic_score_gemma":0.000006847863,"domain_scores_codex":[0.9992949,0.00003317748,0.0001714674,0.0001918582,0.0001228312,0.0001857336],"domain_scores_gemma":[0.999632,0.000006586986,0.0001298555,0.00005681225,0.0001223429,0.00005239198],"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":[0.000277399,0.00004289765,0.0004318403,0.00001316324,0.00006013608,1.204631e-7,0.00001496899,7.248389e-7,0.9920595,0.0003922511,0.001533407,0.00517361],"study_design_scores_gemma":[0.0009535273,0.001701019,0.005342623,0.00002554,0.00001897711,0.000007887396,0.000006324333,0.00002832541,0.9886959,0.000775254,0.002351936,0.00009274497],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9723409,0.0003595852,0.02661157,0.0003626753,0.00006779881,0.0002153002,0.00002516398,0.000006436976,0.00001060184],"genre_scores_gemma":[0.9950427,0.0002926205,0.004026092,0.00002447518,0.0004734002,0.00002805933,0.000007718415,0.00001355643,0.00009139886],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02270181,"threshold_uncertainty_score":0.315129,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006291115712592125,"score_gpt":0.2484404840091484,"score_spread":0.2421493682965562,"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."}}