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. 2016 Feb 3;7(5):3172–3180. doi: 10.1039/c5sc04631a

Table 1. Experimental distances and distributions compared to estimated distances from a standard A-form RNA and to MD calculated distances for the investigated RNA secondary structures. The experimental error in the peak distance is much less than the distribution Δr and is estimated up to ± 0.1 nm (see text). Estimated distances are average of O–O, N–N, O–N and N–O distances.

Sample Δbp Distances [nm]
PELDOR
Model A-RNA MD
r Δr r r Δr
1 [6,16]duplex 10 3.07 0.2 2.82 2.80 0.17
2 [13,28]duplex 15 4.34 0.2 4.28
3 [16,31]duplex 15 4.32 0.2 4.28 4.27 0.22
4 [6,28]hairpin 18 5.14 0.3 5.11 a
5 [6,24]duplex 18 5.33 0.3 5.11
6 [6,28]duplex 22 6.32 0.4 6.19 6.07 0.25
7 [6,31]duplex 25 7.3 0.4 7.06 6.98 0.29
8 [3,31]duplex 28 8.1 0.5 7.91

aHairpin distance was extracted from a model that contained only the double-stranded helix part of the hairpin, without the loop.