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. Author manuscript; available in PMC: 2024 Jun 6.
Published in final edited form as: J Am Chem Soc. 2023 Dec 22;146(1):677–694. doi: 10.1021/jacs.3c10406

Table 4.

A- and Z-form populations in the 8mG4 r(CpG)3 constructs at different temperatures determined from peak volume integration.

Residue/Atom identity B-form population (%) at 5°C B-form population (%) at 15°C B-form population (%) at 25°C B-form population (%) at 35°C B-form population (%) at 45°C B-form population (%) at 25°C (100 mM NaClO4)
Cyt1/C5 41.3 49.6 43.7 18.4 17.1 23.3
Cyt1/C6 44.1 55.8 54.9 24.5 14.9 26.4
Gua2/C8 40.6 40.3 50.8 39.0 26.3
Cyt3/C5 40.9 50.1 41.3 18.5 20.2
Cyt3/C6 48.1 55.8 47.7 42.4 28.3
Cyt5/C1’ 67.7 56.72 49.7 45.9 34.2
Cyt5/C5’ 48.2 51.4 50.0 15.9 27.4
Cyt5/C5” 49.2 54.2 51.2 29.7 26.4
Cyt5/C5 51.6 51.2 56.2
Cyt5/C6 44.5 54.7 60.0 49.5
Gua6/C8 41.0 49.5 49.7 29.5
average 47.0 ± 7.84 51.8 ± 4.6 50.5 ± 5.3 31.3 ± 12.2 16.0 ± 1.5 26.6 ± 4.0