Relative Orientation of Peptide Planes in Proteins Is Reflected in Carbonyl−Carbonyl Chemical Shift Anisotropy Cross-Correlated Spin Relaxation
Bibliographic record
Abstract
Experiments for measuring chemical shift anisotropy (CSA) cross-correlated spin relaxation between pairs of carbonyl spins in 15 N, 13 C-labeled proteins based on differences in relaxation rates of double- and zero-quantum carbonyl coherences are presented. In the case where the carbonyl spins reside on successive residues, information about the intervening (φ,ψ) backbone dihedral angles is obtained. A good correlation between predicted and measured cross-correlation rates is observed in experiments recorded on an SH3 domain from spectrin. Cross-correlated spin relaxation between carbonyl spins residing on two peptide planes linked via hydrogen bonding can also be measured for small proteins in concentrated samples, providing information about the relative orientation of these planes, as demonstrated for the spectrin SH3 domain.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".