Table 1. Manually identified plausible purine decoys from the list returned by find_purine_decoys .

All of these examples were rebuilt and refined. In the ‘Confirm’ column ‘Yes’ confirms that the flip was appropriate, ‘UMA’ indicates that unmodeled alternates explain the difference density and ‘?’ indicates ambiguous density.

PDB code	Resolution (Å)	Chain	No.	Alternative	Type	Confirm	Structural context
1jkr	2.27	B	16	A	dA	Yes	Sticky end
2xm3	2.30	Q	12		dG	Yes	Sticky end −1
2xo6	1.90	E	12		dG	Yes	Sticky end −1
3brf	2.47	C	2		dA	Yes	Sticky end −1
3v6t	1.85	H	2		dA	Yes	Blunt end
3hxo	2.40	B	23		dG	Yes	DNA aptamer
2wq7	2.00	D	8		dG	Yes	Single strand
3v9w	1.70	G	7		dA	Yes	Single strand
4dtn	1.96	T	3		dA	Yes	Single strand
3v6j	2.30	B	7		dA	Yes	DNA Pol Dpo4 n − 2
1s97	2.40	J	7		dA	Yes	DNA Pol Dpo4 n − 2
3gx4	2.70	Z	219		dA	Yes	In helix, HG > WC
4i2o	1.77	X	5		dA	Yes	In helix, HG > WC
3odh	2.30	G	12		dA	Yes	Blunt end, HG > WC
4l0z	2.70	C	1		dG	?	Sticky end
3g99	1.80	C	1		dA	UMA	Sticky end
3g9i	1.85	D	8		dA	UMA	In helix
3g9o	1.65	D	1		dA	UMA	Sticky end
3g9p	1.65	D	1		dA	UMA	Sticky end
3p57	2.19	G	1		dA	UMA	Sticky end