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. 2022 Jan 24;156(4):045101. doi: 10.1063/5.0076261

TABLE III.

Mean structural parameters and 2DFS linewidths determined for the (Cy3)2 dimer-labeled −1 “fork” ss–dsDNA construct. The parameters determined from model analyses of spectroscopic data are the same as defined in Table II.

Optimized parameters for (iCy3)2 dimer −1 “fork” ss–dsDNA constructs
From absorbance and CD optimization From 2DFS optimization
T (°C) J¯ (cm−1) ϕ¯AB (deg) θ¯AB (deg) R¯AB (Å) σI (cm−1) ΓH (cm−1)
1 −340 96.1 ± 0.3 39.9 + 2.2/−2.4 5.0 ± 0.1 187.3 + 14.5/−15.3 118.35 + 12.2/−9.6
5 −339 97.5 + 0.2/−0.7 35.5 + 1.8/−7.6 5.3 + 0.2/−0.1 207.6 + 22.3/−19.6 105.1 + 15.1/−11.7
15 −537 101 ± 0.7 47.3 + 4.2/−4.5 5.3 ± 0.1 217.7 + 39.1/−37.8 87.3 + 17.1/−18.3
23 −489 101 ± 0.8 44.2 + 5.4/−6.5 5.4 ± 0.1 187.3 + 20.5/−22.0 113.9 + 13.6/−11.6
35 −390 101 ± 0.7 44.4 + 6.1/−7.4 6.1 ± 0.1 192.4 + 19.8/−18.1 113.9 + 13.8/−10.6
45 −352 96 ± 0.5 58.2 + 3.2/−3.5 5.6 ± 0.1 187.3 + 17.7/−15.0 113.9 + 11.8/−9.5