AD9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
VG	O1G	doub	1.93Å	1.60Å
VG	O2G	sing	1.93Å	1.67Å
VG	O3G	sing	1.61Å	1.78Å
VG	O3B	sing	1.98Å	1.77Å
PB	O1B	doub	1.52Å	1.68Å
PB	O2B	sing	1.51Å	1.58Å
PB	O3B	sing	1.52Å	1.52Å
PB	O3A	sing	1.62Å	1.63Å
PA	O1A	doub	1.49Å	1.54Å
PA	O2A	sing	1.49Å	1.71Å
PA	O3A	sing	1.60Å	1.64Å
PA	O5'	sing	1.60Å	1.61Å
O5'	C5'	sing	1.45Å	1.47Å
C5'	C4'	sing	1.51Å	1.50Å
C4'	O4'	sing	1.44Å	1.47Å
C4'	C3'	sing	1.54Å	1.54Å
O4'	C1'	sing	1.42Å	1.47Å
C3'	O3'	sing	1.42Å	1.46Å
C3'	C2'	sing	1.54Å	1.55Å
C2'	O2'	sing	1.42Å	1.46Å
C2'	C1'	sing	1.53Å	1.56Å
C1'	N9	sing	1.47Å	1.47Å
N9	C8	sing	1.37Å	1.41Å	Aromatic
N9	C4	sing	1.37Å	1.39Å	Aromatic
C8	N7	doub	1.31Å	1.32Å	Aromatic
N7	C5	sing	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.41Å	1.43Å	Aromatic
C5	C4	doub	1.38Å	1.42Å	Aromatic
C6	N6	sing	1.33Å	1.36Å
C6	N1	doub	1.36Å	1.38Å	Aromatic
N1	C2	sing	1.34Å	1.37Å	Aromatic
C2	N3	doub	1.33Å	1.36Å	Aromatic
C4	N3	sing	1.34Å	1.37Å	Aromatic
O2G	H2G1	sing	0.87Å	0.95Å
O3G	H3G1	sing	0.87Å	0.95Å
O2B	H2B	sing	12.57Å	0.95Å
O2A	H2A	sing	9.11Å	0.95Å
C5'	H5'1	sing	0.99Å	1.10Å
C5'	H5'2	sing	0.99Å	1.10Å
C4'	H4'	sing	0.99Å	1.10Å
C3'	H3'	sing	0.99Å	1.10Å
C1'	H1'	sing	1.02Å	1.10Å
O3'	HA	sing	0.84Å	0.95Å
C2'	H2'	sing	0.99Å	1.10Å
O2'	HB	sing	0.84Å	0.95Å
C8	H8	sing	0.94Å	1.08Å
N6	H6N1	sing	0.88Å	1.00Å
N6	H6N2	sing	0.88Å	1.00Å
C2	H2	sing	0.95Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1G	VG	O2G	109.5°	151.9°
O1G	VG	O3G	114.5°	103.8°
O1G	VG	O3B	104.6°	86.7°
O2G	VG	O3G	114.1°	104.2°
O2G	VG	O3B	99.5°	87.4°
VG	O2G	H2G1	109.5°	109.5°
O3G	VG	O3B	113.3°	107.5°
VG	O3G	H3G1	109.5°	109.5°
VG	O3B	PB	164.4°	124.4°
O1B	PB	O2B	113.5°	111.1°
O1B	PB	O3B	98.3°	114.7°
O1B	PB	O3A	101.4°	106.7°
O2B	PB	O3B	118.2°	111.5°
O2B	PB	O3A	110.5°	105.1°
PB	O2B	H2B	109.5°	29.8°
O3B	PB	O3A	113.0°	107.1°
PB	O3A	PA	130.5°	134.1°
O1A	PA	O2A	115.9°	118.6°
O1A	PA	O3A	116.0°	108.8°
O1A	PA	O5'	118.2°	109.4°
O2A	PA	O3A	102.4°	109.0°
O2A	PA	O5'	102.5°	110.3°
PA	O2A	H2A	109.5°	74.7°
O3A	PA	O5'	99.2°	99.1°
PA	O5'	C5'	127.9°	116.9°
O5'	C5'	C4'	109.2°	109.9°
O5'	C5'	H5'1	109.6°	109.8°
O5'	C5'	H5'2	109.7°	109.7°
C5'	C4'	O4'	107.7°	108.8°
C5'	C4'	C3'	114.8°	116.4°
C4'	C5'	H5'1	109.6°	109.8°
C4'	C5'	H5'2	109.6°	109.4°
C5'	C4'	H4'	105.0°	108.1°
O4'	C4'	C3'	101.6°	105.1°
C4'	O4'	C1'	110.5°	111.3°
O4'	C4'	H4'	117.5°	109.0°
C4'	C3'	O3'	111.3°	109.3°
C4'	C3'	C2'	101.4°	103.1°
C3'	C4'	H4'	110.7°	109.3°
C4'	C3'	H3'	115.0°	111.4°
O4'	C1'	C2'	104.9°	107.0°
O4'	C1'	N9	109.8°	109.3°
O4'	C1'	H1'	114.3°	108.8°
O3'	C3'	C2'	113.4°	113.4°
O3'	C3'	H3'	103.3°	109.7°
C3'	O3'	HA	109.5°	110.6°
C3'	C2'	O2'	112.0°	113.0°
C3'	C2'	C1'	100.2°	102.3°
C2'	C3'	H3'	112.9°	109.9°
C3'	C2'	H2'	113.0°	110.0°
O2'	C2'	C1'	106.8°	111.3°
O2'	C2'	H2'	107.0°	110.2°
C2'	O2'	HB	109.5°	110.7°
C2'	C1'	N9	114.7°	113.7°
C2'	C1'	H1'	109.2°	109.0°
C1'	C2'	H2'	117.8°	109.7°
C1'	N9	C8	128.8°	128.8°
C1'	N9	C4	125.4°	125.5°
N9	C1'	H1'	104.3°	109.0°
C8	N9	C4	105.8°	105.7°
N9	C8	N7	113.2°	113.8°
N9	C8	H8	123.4°	122.9°
N9	C4	C5	105.4°	106.0°
N9	C4	N3	128.6°	127.8°
C8	N7	C5	104.8°	103.9°
N7	C8	H8	123.4°	123.2°
N7	C5	C6	133.1°	131.9°
N7	C5	C4	110.8°	110.6°
C6	C5	C4	116.1°	117.5°
C5	C6	N6	122.9°	123.7°
C5	C6	N1	118.7°	117.3°
C5	C4	N3	126.0°	126.3°
N6	C6	N1	118.4°	119.0°
C6	N6	H6N1	109.5°	120.2°
C6	N6	H6N2	109.5°	119.9°
C6	N1	C2	119.7°	118.7°
N1	C2	N3	126.3°	129.2°
N1	C2	H2	116.9°	115.3°
C2	N3	C4	113.2°	111.1°
N3	C2	H2	116.8°	115.5°
H5'1	C5'	H5'2	109.2°	108.3°
H6N1	N6	H6N2	109.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1G	VG	O2G	O3G	129.8°	174.5°
O1G	VG	O2G	O3B	109.3°	78.0°
O1G	VG	O3G	O3B	119.8°	90.9°
O1G	VG	O3B	PB	16.9°	118.2°
O1G	VG	O2G	H2G1	74.0°	88.7°
O1G	VG	O3G	H3G1	114.0°	129.6°
O2G	VG	O3G	O3B	112.9°	91.8°
O2G	VG	O3B	PB	130.1°	89.3°
O2G	VG	O3G	H3G1	118.7°	47.8°
O3G	VG	O3B	PB	108.5°	14.8°
O3G	VG	O2G	H2G1	55.8°	85.8°
VG	O3B	PB	O1B	121.3°	33.1°
VG	O3B	PB	O2B	1.2°	160.6°
VG	O3B	PB	O3A	132.5°	85.0°
O3B	VG	O2G	H2G1	176.8°	166.8°
O3B	VG	O3G	H3G1	5.8°	139.5°
O1B	PB	O2B	O3B	114.4°	129.4°
O1B	PB	O2B	O3A	113.1°	115.0°
O1B	PB	O3B	O3A	106.2°	118.1°
O1B	PB	O3A	PA	2.4°	35.4°
O1B	PB	O2B	H2B	86.3°	162.5°
O2B	PB	O3B	O3A	131.3°	114.4°
O2B	PB	O3A	PA	118.3°	153.4°
O3B	PB	O3A	PA	106.7°	87.9°
O3B	PB	O2B	H2B	28.2°	68.1°
PB	O3A	PA	O1A	48.8°	120.6°
PB	O3A	PA	O2A	78.5°	10.0°
PB	O3A	PA	O5'	176.5°	125.2°
O3A	PB	O2B	H2B	160.6°	47.5°
O1A	PA	O2A	O3A	127.3°	125.1°
O1A	PA	O2A	O5'	130.3°	127.2°
O1A	PA	O3A	O5'	127.7°	114.2°
O1A	PA	O5'	C5'	153.5°	71.8°
O1A	PA	O2A	H2A	82.4°	114.2°
O2A	PA	O3A	O5'	105.0°	115.2°
O2A	PA	O5'	C5'	24.6°	60.4°
O3A	PA	O5'	C5'	80.3°	174.6°
O3A	PA	O2A	H2A	150.3°	120.7°
PA	O5'	C5'	C4'	138.5°	177.5°
O5'	PA	O2A	H2A	47.9°	13.0°
PA	O5'	C5'	H5'1	18.5°	61.7°
PA	O5'	C5'	H5'2	101.3°	57.2°
O5'	C5'	C4'	H5'1	120.0°	120.9°
O5'	C5'	C4'	H5'2	120.1°	120.4°
O5'	C5'	C4'	O4'	53.9°	173.3°
O5'	C5'	C4'	C3'	58.3°	68.3°
O5'	C5'	H5'1	H5'2	120.2°	119.7°
O5'	C5'	C4'	H4'	179.9°	55.1°
C5'	C4'	O4'	C3'	120.9°	125.3°
C5'	C4'	O4'	H4'	118.1°	117.7°
C5'	C4'	C3'	H4'	118.6°	122.8°
C5'	C4'	O4'	C1'	147.2°	139.5°
C5'	C4'	C3'	O3'	79.8°	89.3°
C5'	C4'	C3'	C2'	159.3°	149.8°
C4'	C5'	H5'1	H5'2	120.1°	119.4°
C5'	C4'	C3'	H3'	37.2°	32.0°
O4'	C4'	C3'	H4'	125.6°	116.9°
O4'	C4'	C3'	O3'	164.4°	150.3°
O4'	C4'	C3'	C2'	43.5°	29.4°
C4'	O4'	C1'	C2'	1.5°	7.2°
C4'	O4'	C1'	N9	122.3°	116.3°
O4'	C4'	C5'	H5'1	173.9°	65.8°
O4'	C4'	C5'	H5'2	66.2°	52.9°
O4'	C4'	C3'	H3'	78.6°	88.3°
C4'	O4'	C1'	H1'	121.0°	124.8°
C3'	C4'	O4'	C1'	26.2°	14.2°
C4'	C3'	O3'	C2'	113.6°	114.4°
C4'	C3'	O3'	H3'	123.9°	122.4°
C4'	C3'	C2'	H3'	123.5°	118.8°
C4'	C3'	C2'	O2'	69.0°	86.9°
C4'	C3'	C2'	C1'	43.8°	32.8°
C3'	C4'	C5'	H5'1	61.7°	52.6°
C3'	C4'	C5'	H5'2	178.5°	171.3°
C4'	C3'	O3'	HA	124.2°	171.5°
C4'	C3'	C2'	H2'	170.0°	149.4°
O4'	C1'	C2'	C3'	28.3°	25.3°
O4'	C1'	C2'	O2'	88.5°	95.6°
O4'	C1'	C2'	N9	120.5°	120.7°
O4'	C1'	C2'	H1'	122.9°	117.5°
O4'	C1'	N9	H1'	122.8°	118.8°
O4'	C1'	N9	C8	1.6°	27.6°
O4'	C1'	N9	C4	177.8°	152.5°
C1'	O4'	C4'	H4'	94.7°	102.8°
O4'	C1'	C2'	H2'	151.2°	142.1°
O3'	C3'	C2'	H3'	117.1°	123.1°
O3'	C3'	C2'	O2'	50.4°	31.2°
O3'	C3'	C2'	C1'	163.2°	150.9°
O3'	C3'	C4'	H4'	38.8°	33.5°
O3'	C3'	C2'	H2'	70.6°	92.5°
C3'	C2'	O2'	C1'	108.7°	114.4°
C3'	C2'	O2'	H2'	124.4°	123.6°
C3'	C2'	C1'	H2'	122.9°	116.8°
C3'	C2'	C1'	N9	92.2°	95.4°
C2'	C3'	C4'	H4'	82.1°	87.4°
C3'	C2'	C1'	H1'	151.2°	142.8°
C2'	C3'	O3'	HA	10.6°	74.1°
C3'	C2'	O2'	HB	172.0°	169.2°
O2'	C2'	C1'	H2'	120.3°	122.3°
O2'	C2'	C1'	N9	151.0°	143.7°
O2'	C2'	C3'	H3'	167.4°	154.3°
O2'	C2'	C1'	H1'	34.3°	21.9°
C2'	C1'	N9	H1'	119.4°	121.8°
C2'	C1'	N9	C8	116.2°	91.8°
C2'	C1'	N9	C4	64.4°	88.0°
C1'	C2'	C3'	H3'	79.7°	86.0°
C1'	C2'	O2'	HB	79.3°	76.4°
C1'	N9	C8	C4	179.5°	179.9°
C1'	N9	C8	N7	179.3°	179.9°
C1'	N9	C4	C5	179.2°	179.9°
C1'	N9	C4	N3	0.4°	0.0°
N9	C1'	C2'	H2'	30.7°	21.4°
C1'	N9	C8	H8	0.7°	0.2°
N9	C8	N7	H8	180.0°	179.9°
N9	C8	N7	C5	0.1°	0.1°
C8	N9	C4	C5	0.3°	0.1°
C8	N9	C4	N3	179.9°	179.9°
C8	N9	C1'	H1'	124.4°	146.4°
C4	N9	C8	N7	0.1°	0.1°
N9	C4	C5	N7	0.4°	0.0°
N9	C4	C5	C6	179.5°	180.0°
N9	C4	C5	N3	179.6°	180.0°
N9	C4	N3	C2	179.6°	180.0°
C4	N9	C1'	H1'	55.0°	33.8°
C4	N9	C8	H8	179.9°	180.0°
C8	N7	C5	C6	179.5°	180.0°
C8	N7	C5	C4	0.4°	0.0°
N7	C5	C6	C4	179.9°	180.0°
N7	C5	C6	N6	0.3°	0.0°
N7	C5	C6	N1	180.0°	179.9°
N7	C5	C4	N3	180.0°	179.9°
C5	N7	C8	H8	179.9°	180.0°
C5	C6	N6	N1	179.7°	179.9°
C5	C6	N1	C2	0.0°	0.0°
C6	C5	C4	N3	0.1°	0.0°
C5	C6	N6	H6N1	37.5°	180.0°
C5	C6	N6	H6N2	157.5°	0.0°
C4	C5	C6	N6	179.6°	180.0°
C4	C5	C6	N1	0.1°	0.0°
C5	C4	N3	C2	0.1°	0.0°
N6	C6	N1	C2	179.8°	180.0°
C6	N6	H6N1	H6N2	120.0°	180.0°
C6	N1	C2	N3	0.2°	0.0°
N1	C6	N6	H6N1	142.8°	0.1°
N1	C6	N6	H6N2	22.8°	179.9°
C6	N1	C2	H2	179.8°	180.0°
N1	C2	N3	H2	180.0°	180.0°
N1	C2	N3	C4	0.3°	0.0°
C4	N3	C2	H2	179.7°	180.0°
H5'1	C5'	C4'	H4'	60.1°	175.9°
H5'2	C5'	C4'	H4'	59.8°	65.3°
H4'	C4'	C3'	H3'	155.8°	154.8°
H3'	C3'	O3'	HA	111.9°	49.2°
H3'	C3'	C2'	H2'	46.4°	30.6°
H1'	C1'	C2'	H2'	86.0°	100.4°
H2'	C2'	O2'	HB	47.7°	45.6°

Definition date:	2008-03-25
Last modified:	2026-07-31
Release status:	REL
Processing site:	EBI
Derived from:	2JJ9