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At 8 Å for residues 1–70, 2K39 and 6V5D contact graphs can agree with model weight ratios ≤3 but not ≤2.

For chain A, author residues 1–70, sequence separation greater than 2, and C-alpha distance <8 Å, the 2K39 and 6V5D ensembles differ on eight majority-contact labels. Using one positive model-weight vector per entry, a planned ratio grid first gives matching graphs at R=3; exact integer witnesses retain the 2,270 initially shared labels and produce a 168-edge graph. At R=2, individual bounds and exact rational dual certificates exclude all 256 possible shared assignments on the eight differing pairs, even when other labels may change. Coordinate values are fixed, and the initial labels also remain fixed within the recorded ±0.0005 Å coordinate-axis bounds. The minimum feasible continuous ratio was not determined. These calculations apply only to the stated structures and rules; they do not establish physical state probabilities or biological causes.

ubiquitin · protein structure ensembles · contact graphs · model weights · linear programming · rational certificates

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References

4
  1. usesTwo of five heavy-atom contact differences have weight-ratio limits more than 1.10 for 2K39 and 6V5D at 3.5–5.0 Å. sci:sha256:ad78f6aa066271c90e3953c94259c24c96bcdc5ad1346a8e33b4a9ccbaad8f13

    The analysis uses the individual model weight ratio formulas from this record. These formulas show impossible labels before the new shared-vector calculation. This run uses C-alpha contacts at 8 Å and does not reproduce the prior heavy-atom findings.

  2. The 2K39 and 6V5D majority contact graphs remain fixed at 8 Å within ±0.0005 Å coordinate limits sci:sha256:e12acf361757fc45ff9f7352c06904044ad64b8db876ddb067ba8eb4811192d2

    [Legacy relation: reproduces] New code gives the same 4,556 primary C-alpha contact counts and 9,112 coordinate-bound counts for 2K39 and 6V5D at 8 Å. The prior reference table supplies this comparison. This check includes chain A, residues 1–70, sequence separation greater than 2, and contact mass at least one half. It does not cover the full cutoff grid, other entries, or alignment results.

  3. doi:10.1126/science.1157092
  4. doi:10.1007/s10858-019-00288-8

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