Table 1.

Interatomic distance restraints

				AC1	ACG	sGC	rGC1	Atom	Tgt	Min	Max
NTP	1	o3′	Asn	1007	520B	548B	1004B	nd2	2.8	0.3	0.5
NTP	1	o3′	Asp	354	445A	531A	929A	od1	2.8	0.3	0.5
NTP	1	o3′	Asp	354	445A	531A	929A	od2	2.8	0.3	0.5
ATP	1	n6	Asp	1000	513B			od1	2.8	0.2	1.2
ATP	1	n6	Asp	1000	513B			od2	2.8	0.2	1.2
GTP	1	o6	Cys			541B	997B	sg	2.8	0.2	1.2
NTP	1	o2b	Mg	1	1	1	1	mg	2.3	0.1	0.1
NTP	1	o3g	Mg	1	1	1	1	mg	2.3	0.1	0.1
NTP	1	pa	NTP	1	1	1	1	o3′	3.5	0.1	0.1
NTP	1	o1a	NTP	1	1	1	1	o3′	3.9	0.5	0.2
NTP	1	o2a	NTP	1	1	1	1	o3′	3.9	0.5	0.2
NTP	1	o1a	Arg	1011	524B	552B	1008B	nh1	3.0	0.5	0.7
NTP	1	o1a	Arg	1011	524B	552B	1008B	nh2	3.0	0.5	0.7
NTP	1	o2b	Arg	398	491A	575A	976A	nh1	3.0	0.5	1.0
NTP	1	o2b	Arg	398	491A	575A	976A	nh2	3.0	0.5	1.0
Mg	1	mg	Arg	398	491A	575A	976A	nh1	4.0	0.5	4.0
Mg	1	mg	Arg	398	491A	575A	976A	nh2	4.0	0.5	4.0
Mg	1	mg	Glu	432	526A	609A	1010A	oe1	2.4	0.1	0.5
Mg	1	mg	Asp	310	401A	487A	885A	od1	2.4	0.1	0.5
Mg	1	mg	Glu	432	526A	609A	1010A	oe2	2.4	0.1	1.1
Mg	1	mg	Asp	310	401A	487A	885A	od2	2.4	0.1	1.1
NTP	2	o3′	Asn		520A		1004A	nd2	2.8	0.3	0.5
NTP	2	o3′	Asp		445B		929B	od1	2.8	0.3	0.5
NTP	2	o3′	Asp		445B		929B	od2	2.8	0.3	0.5
ATP	2	n6	Asp		513A			od1	2.8	0.2	1.2
ATP	2	n6	Asp		513A			od2	2.8	0.2	1.2
GTP	2	o6	Cys				997A	sg	2.8	0.2	1.2
NTP	2	o2b	Mg		2		2	mg	2.3	0.1	0.1
NTP	2	o3g	Mg		2		2	mg	2.3	0.1	0.1
NTP	2	pa	NTP		2		2	o3′	3.5	0.1	0.1
NTP	2	o1a	NTP		2		2	o3′	3.9	0.5	0.2
NTP	2	o2a	NTP		2		2	o3′	3.9	0.5	0.2
NTP	2	o1a	Arg		524A		1008A	nh1	3.0	0.5	0.7
NTP	2	o1a	Arg		524A		1008A	nh2	3.0	0.5	0.7
NTP	2	o2b	Arg		491B		976B	nh1	3.0	0.5	1.0
NTP	2	o2b	Arg		491B		976B	nh2	3.0	0.5	1.0
Mg	2	mg	Arg		491B		976B	nh1	4.0	0.5	4.0
Mg	2	mg	Arg		491B		976B	nh2	4.0	0.5	4.0
Mg	2	mg	Glu		526B		1010B	oe1	2.4	0.1	0.5
Mg	2	mg	Asp		401B		885B	od1	2.4	0.1	0.5
Mg	2	mg	Glu		526B		1010B	oe2	2.4	0.1	1.1
Mg	2	mg	Asp		401B		885B	od2	2.4	0.1	1.1
For	1	oAc	Ser	927				og	2.8	0.3	0.5
For	1	o1	Asp	419				od1	2.8	0.3	0.5
For	1	o1	Val	420				o	2.8	0.3	0.5
For	1	o11	Ser	422				n	2.8	0.3	0.5

Tgt, min, and max are target distance d, and allowed deviations from it, d₋ and d₊. The restraint potential is E (kcal/mol) = 50Δ², where Δ = R − d + d₊ for R > d + d₊, Δ = 0 for d − d₋ < R < d + d₊; Δ = d − d₋ − R for R < d − d₋, where R is the interatomic distance.