Table 1. Sequences and data used in the assessment of the cgDNA package. Check marks (and where appropriate citations) indicate the availability and external source of each type of prediction of the shape of the free energy minimizer of each fragment. See main text for structure accession numbers and detailed description of the MD simulations.

Sequence, S	Name	cgDNA	NMR	X-ray	MD
	DD	✓	✓ (31)	✓ (32)	✓ (28)
	A3CGT3	✓		✓ (33)	✓
	A4T4	✓	✓ (34)
	A4T4_mod	✓			✓ (29)
	T4A4	✓	✓ (34)
	T4A4_mod	✓			✓ (29)