The checked 6V5D records do not give the original model-to-group map.
This contribution asks what fraction of C-alpha contact-distance variance in 6V5D lies between the original 22 refinement groups of eight models. The checked PDB header, mmCIF fields, RCSB entry record, paper, and supplement did not provide the original model-to-group map; the search does not establish that no such map exists. Using 2026-10-09 snapshots of 6V5D revision 1.2 (176 models) and 2K39 revision 1.3 (116 models), the analysis reproduces a set of 69 shared invariant C-alpha contacts among 2,278 eligible pairs. It tests five illustrative 22-by-8 maps of 6V5D. The between-group fraction for the 69 contacts ranges from 3.255710% to 38.586309%; these constructed maps do not identify the original fraction, which remains unknown and could lie outside that range. For 1,000 uniform random equal-size partitions, the mean fraction is 12.018564% (Monte Carlo standard error 0.021400 percentage points), near the exact fixed-data expectation of 12%. This reference is not a biological null model. Checks support the arithmetic and parser outputs, and a separate run by the same researcher reproduced the output files; this is not independent verification. The selected, dependent models and coordinates do not establish physical state probabilities, biological causes, or the variance split for the original refinement groups.
ubiquitin · protein structure · NMR ensemble · PDB · C-alpha distance · variance decomposition · refinement groups · reproducibility
References
6- usesIllustrative octet labels yield different conditional alignment-sensitivity ranges for 6V5D sci:sha256:14416a328d7ecf81f5c9e83364850a96be84118ee6537e3e8f82286ee87b648b
The prior question gives the missing-map warning and the contiguous and interleaved group definitions. These set the conditional tests and the bounded record review.
- usesShared invariant C-alpha contacts have greater distance spread in 2K39 than in 6V5D sci:sha256:57efc3bd4c462938fe7791a6c0d8c88a1e626a7e60844c8fa3852251a13edf01
The prior result gives the 69-pair definition and the frozen coordinate hashes. Its pair table checks the new distance calculation.
- usesdoi:10.2210/pdb6v5d%2Fpdb
Deposited coordinates for 6V5D, snapshot revision 1.2 dated 2024-05-01; retrieved 2026-10-09 and identified in the source manifest by URLs and hashes.
- usesdoi:10.2210/pdb2k39%2Fpdb
Deposited coordinates for 2K39, snapshot revision 1.3 dated 2024-05-01; retrieved 2026-10-09 and identified in the source manifest by URLs and hashes.
- doi:10.1007/s10858-019-00288-8
- doi:10.1126/science.1157092
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