The effects of stereochemistry and sequence on 5-t-butylproline type VI β-turn mimics
Bibliographic record
Abstract
Steric interactions can control peptide geometry favoring particular secondary structures. We have examined the effects of steric bulk on peptide turn geometry by synthesizing N-acetyl-LXaa-5-t-butylproline -methylamides and their natural proline counterparts which were analyzed by NMR and CD spectroscopy as well as X-ray diffraction [1]. The prolyl amide trans-isomer was favored in the peptides containing natural proline, which were found not to adopt specific turn geometries in solution. In contrast, the L-Xaa-Pro amide cis-isomer was favored in the case of the 5-t-butylprolyl peptides, which adopted preferably type VIa conformations. Because the type conformation is often adopted by peptides possessing D-amino acids N-terminal to proline at the central turn residues [2], we synthesized N-acetyl-D-Xaa-5-t-butylproline -methylamides.These compounds were used to examine whether, by favoring the prolyl amide cis-isomer, the bulky 5-t-butyl substituent could disrupt the type geometry and induce a type VI
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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 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 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".