DAD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
PG	O1G	doub	1.48Å	1.48Å
PG	O2G	sing	1.61Å	1.49Å
PG	O3G	sing	1.61Å	1.49Å
PG	O3B	sing	1.61Å	1.51Å
O2G	HOG2	sing	0.97Å	0.95Å
O3G	HOG3	sing	0.97Å	0.95Å
PB	O1B	doub	1.48Å	1.49Å
PB	O2B	sing	1.61Å	1.49Å
PB	O3B	sing	1.61Å	1.51Å
PB	O3A	sing	1.61Å	1.50Å
O2B	HOB2	sing	0.97Å	0.95Å
PA	O1A	doub	1.48Å	1.48Å
PA	O2A	sing	1.61Å	1.49Å
PA	O3A	sing	1.61Å	1.49Å
PA	O5'	sing	1.61Å	1.60Å
O2A	HOA2	sing	0.97Å	0.95Å
O5'	C5'	sing	1.43Å	1.42Å
C5'	C4'	sing	1.53Å	1.51Å
C5'	H5'1	sing	1.09Å	1.11Å
C5'	H5'2	sing	1.09Å	1.12Å
C4'	O4'	sing	1.44Å	1.44Å
C4'	C3'	sing	1.54Å	1.53Å
C4'	H4'	sing	1.09Å	1.12Å
O4'	C1'	sing	1.44Å	1.40Å
C3'	C2'	sing	1.55Å	1.53Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.11Å
C2'	C1'	sing	1.54Å	1.53Å
C2'	H2'1	sing	1.09Å	1.12Å
C2'	H2'2	sing	1.09Å	1.11Å
C1'	N9	sing	1.46Å	1.46Å
C1'	H1'	sing	1.09Å	1.12Å
N9	C8	sing	1.36Å	1.37Å	Aromatic
N9	C4	sing	1.37Å	1.37Å	Aromatic
C8	N7	doub	1.30Å	1.31Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N7	C5	sing	1.35Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.41Å	Aromatic
C5	C4	doub	1.40Å	1.38Å	Aromatic
C6	N6	sing	1.38Å	1.34Å
C6	N1	doub	1.33Å	1.36Å	Aromatic
N6	HN61	sing	0.97Å	1.02Å
N6	HN62	sing	0.97Å	1.02Å
N1	C2	sing	1.32Å	1.34Å	Aromatic
C2	N3	doub	1.32Å	1.33Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.33Å	1.34Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1G	PG	O2G	119.3°	109.4°
O1G	PG	O3G	108.0°	109.5°
O1G	PG	O3B	108.6°	109.5°
O2G	PG	O3G	108.5°	109.5°
O2G	PG	O3B	108.8°	109.5°
PG	O2G	HOG2	119.3°	106.8°
O3G	PG	O3B	102.3°	109.5°
PG	O3G	HOG3	108.0°	106.8°
PG	O3B	PB	132.3°	106.8°
O1B	PB	O2B	120.0°	109.5°
O1B	PB	O3B	108.6°	109.4°
O1B	PB	O3A	109.1°	109.5°
O2B	PB	O3B	109.2°	109.4°
O2B	PB	O3A	108.7°	109.5°
PB	O2B	HOB2	119.9°	106.8°
O3B	PB	O3A	99.4°	109.5°
PB	O3A	PA	139.5°	106.8°
O1A	PA	O2A	119.8°	109.5°
O1A	PA	O3A	108.4°	109.5°
O1A	PA	O5'	107.2°	109.4°
O2A	PA	O3A	108.6°	109.5°
O2A	PA	O5'	109.2°	109.5°
PA	O2A	HOA2	119.8°	106.8°
O3A	PA	O5'	102.2°	109.5°
PA	O5'	C5'	121.0°	106.8°
O5'	C5'	C4'	110.2°	109.5°
O5'	C5'	H5'1	111.9°	109.5°
O5'	C5'	H5'2	111.9°	109.6°
C4'	C5'	H5'1	111.9°	109.4°
C4'	C5'	H5'2	111.9°	109.4°
C5'	C4'	O4'	108.4°	110.5°
C5'	C4'	C3'	116.3°	110.4°
C5'	C4'	H4'	104.6°	110.3°
H5'1	C5'	H5'2	98.5°	109.5°
O4'	C4'	C3'	106.3°	104.9°
O4'	C4'	H4'	114.9°	110.2°
C4'	O4'	C1'	108.6°	105.2°
C3'	C4'	H4'	106.7°	110.4°
C4'	C3'	C2'	103.7°	104.0°
C4'	C3'	H3'1	114.4°	110.5°
C4'	C3'	H3'2	114.4°	110.5°
O4'	C1'	C2'	110.7°	104.9°
O4'	C1'	N9	112.1°	110.4°
O4'	C1'	H1'	116.0°	110.4°
C2'	C3'	H3'1	114.4°	110.5°
C2'	C3'	H3'2	114.4°	110.4°
C3'	C2'	C1'	101.7°	104.1°
C3'	C2'	H2'1	115.2°	110.5°
C3'	C2'	H2'2	115.2°	110.5°
H3'1	C3'	H3'2	96.0°	110.6°
C1'	C2'	H2'1	115.1°	110.5°
C1'	C2'	H2'2	115.2°	110.5°
C2'	C1'	N9	125.5°	110.4°
C2'	C1'	H1'	96.1°	110.3°
H2'1	C2'	H2'2	95.3°	110.5°
N9	C1'	H1'	93.9°	110.4°
C1'	N9	C8	128.0°	126.3°
C1'	N9	C4	125.8°	126.2°
C8	N9	C4	105.9°	107.5°
N9	C8	N7	113.8°	109.9°
N9	C8	H8	125.0°	125.0°
N9	C4	C5	105.8°	106.0°
N9	C4	N3	127.1°	134.9°
N7	C8	H8	121.2°	125.0°
C8	N7	C5	103.7°	109.5°
N7	C5	C6	132.1°	134.7°
N7	C5	C4	110.8°	107.1°
C6	C5	C4	117.1°	118.1°
C5	C6	N6	123.6°	120.7°
C5	C6	N1	117.4°	118.5°
C5	C4	N3	127.1°	119.1°
N6	C6	N1	118.8°	120.8°
C6	N6	HN61	123.6°	120.0°
C6	N6	HN62	107.2°	120.0°
C6	N1	C2	118.5°	121.2°
HN61	N6	HN62	107.3°	120.0°
N1	C2	N3	129.2°	122.5°
N1	C2	H2	115.8°	118.7°
N3	C2	H2	115.1°	118.8°
C2	N3	C4	110.6°	120.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1G	PG	O2G	O3G	124.2°	120.0°
O1G	PG	O2G	O3B	125.3°	120.0°
O1G	PG	O3G	O3B	114.5°	120.0°
O1G	PG	O2G	HOG2	180.0°	60.0°
O1G	PG	O3G	HOG3	180.0°	180.0°
O1G	PG	O3B	PB	114.6°	60.0°
O2G	PG	O3G	O3B	114.9°	120.0°
O2G	PG	O3G	HOG3	49.4°	60.0°
O2G	PG	O3B	PB	16.6°	180.0°
O3G	PG	O2G	HOG2	55.8°	60.0°
O3G	PG	O3B	PB	131.3°	60.0°
O3B	PG	O2G	HOG2	54.7°	180.0°
O3B	PG	O3G	HOG3	65.5°	60.0°
PG	O3B	PB	O1B	54.3°	60.0°
PG	O3B	PB	O2B	173.3°	60.0°
PG	O3B	PB	O3A	59.6°	180.0°
O1B	PB	O2B	O3B	126.1°	120.0°
O1B	PB	O2B	O3A	126.4°	120.0°
O1B	PB	O3B	O3A	113.9°	120.0°
O1B	PB	O2B	HOB2	180.0°	180.0°
O1B	PB	O3A	PA	30.0°	60.0°
O2B	PB	O3B	O3A	113.7°	120.0°
O2B	PB	O3A	PA	102.5°	60.0°
O3B	PB	O2B	HOB2	53.8°	60.0°
O3B	PB	O3A	PA	143.5°	180.0°
O3A	PB	O2B	HOB2	53.6°	60.0°
PB	O3A	PA	O1A	160.1°	60.0°
PB	O3A	PA	O2A	68.3°	60.0°
PB	O3A	PA	O5'	47.1°	180.0°
O1A	PA	O2A	O3A	125.3°	120.0°
O1A	PA	O2A	O5'	124.0°	120.0°
O1A	PA	O3A	O5'	113.0°	120.0°
O1A	PA	O2A	HOA2	180.0°	180.0°
O1A	PA	O5'	C5'	98.3°	60.0°
O2A	PA	O3A	O5'	115.4°	120.0°
O2A	PA	O5'	C5'	32.9°	60.0°
O3A	PA	O2A	HOA2	54.7°	60.0°
O3A	PA	O5'	C5'	147.8°	180.0°
O5'	PA	O2A	HOA2	56.0°	60.0°
PA	O5'	C5'	C4'	84.3°	180.0°
PA	O5'	C5'	H5'1	150.4°	60.0°
PA	O5'	C5'	H5'2	40.9°	60.1°
O5'	C5'	C4'	H5'1	125.3°	120.0°
O5'	C5'	C4'	H5'2	125.2°	120.1°
O5'	C5'	H5'1	H5'2	117.9°	120.1°
O5'	C5'	C4'	O4'	169.1°	64.4°
O5'	C5'	C4'	C3'	71.4°	180.0°
O5'	C5'	C4'	H4'	46.0°	57.7°
C4'	C5'	H5'1	H5'2	117.8°	119.9°
C5'	C4'	O4'	C3'	125.7°	119.0°
C5'	C4'	O4'	H4'	116.6°	122.2°
C5'	C4'	C3'	H4'	116.2°	122.2°
C5'	C4'	O4'	C1'	144.2°	159.4°
C5'	C4'	C3'	C2'	149.9°	143.0°
C5'	C4'	C3'	H3'1	84.8°	24.3°
C5'	C4'	C3'	H3'2	24.6°	98.5°
H5'1	C5'	C4'	O4'	65.7°	55.6°
H5'1	C5'	C4'	C3'	53.9°	60.0°
H5'1	C5'	C4'	H4'	171.3°	177.7°
H5'2	C5'	C4'	O4'	43.8°	175.5°
H5'2	C5'	C4'	C3'	163.4°	59.9°
H5'2	C5'	C4'	H4'	79.2°	62.3°
O4'	C4'	C3'	H4'	123.1°	118.8°
O4'	C4'	C3'	C2'	29.3°	23.9°
O4'	C4'	C3'	H3'1	154.5°	94.8°
O4'	C4'	C3'	H3'2	96.1°	142.5°
C4'	O4'	C1'	C2'	0.1°	40.3°
C4'	O4'	C1'	N9	145.7°	159.2°
C4'	O4'	C1'	H1'	108.0°	78.5°
C3'	C4'	O4'	C1'	18.5°	40.3°
C4'	C3'	C2'	H3'1	125.3°	118.6°
C4'	C3'	C2'	H3'2	125.3°	118.6°
C4'	C3'	H3'1	H3'2	120.3°	122.8°
C4'	C3'	C2'	C1'	27.6°	0.0°
C4'	C3'	C2'	H2'1	97.6°	118.6°
C4'	C3'	C2'	H2'2	152.9°	118.7°
H4'	C4'	O4'	C1'	99.2°	78.5°
H4'	C4'	C3'	C2'	93.8°	94.9°
H4'	C4'	C3'	H3'1	31.4°	146.5°
H4'	C4'	C3'	H3'2	140.9°	23.7°
O4'	C1'	C2'	C3'	18.0°	23.9°
O4'	C1'	C2'	N9	139.9°	118.9°
O4'	C1'	C2'	H1'	120.8°	118.8°
O4'	C1'	C2'	H2'1	107.3°	94.8°
O4'	C1'	C2'	H2'2	143.2°	142.6°
O4'	C1'	N9	H1'	120.2°	122.3°
O4'	C1'	N9	C8	85.6°	27.1°
O4'	C1'	N9	C4	101.1°	153.0°
C2'	C3'	H3'1	H3'2	120.3°	122.6°
C3'	C2'	C1'	H2'1	125.2°	118.6°
C3'	C2'	C1'	H2'2	125.3°	118.7°
C3'	C2'	H2'1	H2'2	121.0°	122.7°
C3'	C2'	C1'	N9	122.0°	142.8°
C3'	C2'	C1'	H1'	138.7°	95.0°
H3'1	C3'	C2'	C1'	152.9°	118.6°
H3'1	C3'	C2'	H2'1	27.7°	0.0°
H3'1	C3'	C2'	H2'2	81.8°	122.7°
H3'2	C3'	C2'	C1'	97.7°	118.6°
H3'2	C3'	C2'	H2'1	137.1°	122.7°
H3'2	C3'	C2'	H2'2	27.6°	0.1°
C1'	C2'	H2'1	H2'2	121.1°	122.7°
C2'	C1'	N9	H1'	100.3°	122.3°
C2'	C1'	N9	C8	53.8°	88.4°
C2'	C1'	N9	C4	119.4°	91.5°
H2'1	C2'	C1'	N9	112.8°	24.1°
H2'1	C2'	C1'	H1'	13.5°	146.4°
H2'2	C2'	C1'	N9	3.3°	98.5°
H2'2	C2'	C1'	H1'	96.0°	23.7°
C1'	N9	C8	C4	174.3°	179.9°
C1'	N9	C8	N7	174.5°	180.0°
C1'	N9	C8	H8	5.5°	0.0°
C1'	N9	C4	C5	175.3°	179.8°
C1'	N9	C4	N3	6.1°	0.1°
H1'	C1'	N9	C8	154.2°	149.3°
H1'	C1'	N9	C4	19.1°	30.8°
N9	C8	N7	H8	180.0°	180.0°
N9	C8	N7	C5	0.6°	0.2°
C8	N9	C4	C5	0.8°	0.3°
C8	N9	C4	N3	179.4°	180.0°
C4	N9	C8	N7	0.2°	0.1°
C4	N9	C8	H8	179.8°	179.9°
N9	C4	C5	N7	1.2°	0.4°
N9	C4	C5	C6	179.3°	179.7°
N9	C4	C5	N3	178.6°	179.7°
N9	C4	N3	C2	179.6°	180.0°
C8	N7	C5	C6	178.8°	179.4°
C8	N7	C5	C4	1.1°	0.4°
H8	C8	N7	C5	179.4°	179.8°
N7	C5	C6	C4	177.5°	179.0°
N7	C5	C6	N6	3.0°	0.7°
N7	C5	C6	N1	179.5°	179.5°
N7	C5	C4	N3	179.8°	179.8°
C5	C6	N6	N1	176.4°	179.8°
C5	C6	N6	HN61	179.9°	179.7°
C5	C6	N6	HN62	54.7°	0.6°
C5	C6	N1	C2	3.3°	0.2°
C6	C5	C4	N3	2.1°	0.6°
C4	C5	C6	N6	179.4°	179.7°
C4	C5	C6	N1	3.0°	0.5°
C5	C4	N3	C2	1.3°	0.3°
C6	N6	HN61	HN62	125.3°	179.8°
N6	C6	N1	C2	179.9°	180.0°
N1	C6	N6	HN61	3.6°	0.1°
N1	C6	N6	HN62	121.7°	179.7°
C6	N1	C2	N3	2.9°	0.0°
C6	N1	C2	H2	177.1°	179.9°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	1.7°	0.0°
H2	C2	N3	C4	178.3°	180.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1CJT