APW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
MG	O2A	sing	1.90Å	2.06Å
MG	O2B	sing	1.90Å	2.08Å
O2A	PA	sing	1.64Å	1.61Å
PA	O1A	doub	1.48Å	1.59Å
PA	O3A	sing	1.61Å	1.66Å
PA	O5'	sing	1.61Å	1.61Å
O3A	PB	sing	1.61Å	1.65Å
PB	O1B	doub	1.48Å	1.48Å
PB	O2B	sing	1.64Å	1.53Å
PB	N3B	sing	1.68Å	1.74Å
N3B	H3B1	sing	1.01Å	1.00Å
N3B	H3B2	sing	1.01Å	1.00Å
O5'	C5'	sing	1.43Å	1.42Å
C5'	C4'	sing	1.53Å	1.51Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	C3'	sing	1.54Å	1.51Å
C4'	O4'	sing	1.44Å	1.44Å
C4'	H4'	sing	1.09Å	1.10Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	C2'	sing	1.55Å	1.51Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	H2	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.43Å
C2'	C1'	sing	1.55Å	1.52Å
C2'	H1	sing	1.09Å	1.10Å
O2'	H2'	sing	0.97Å	0.95Å
C1'	O4'	sing	1.44Å	1.44Å
C1'	N9	sing	1.46Å	1.48Å
C1'	H1'	sing	1.09Å	1.10Å
N9	C4	sing	1.37Å	1.34Å	Aromatic
N9	C8	sing	1.36Å	1.35Å	Aromatic
C4	C5	sing	1.41Å	1.47Å	Aromatic
C4	N3	doub	1.33Å	1.35Å	Aromatic
C5	N7	sing	1.36Å	1.34Å	Aromatic
C5	C6	doub	1.40Å	1.48Å	Aromatic
N7	C8	doub	1.30Å	1.36Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N3	C2	sing	1.32Å	1.35Å	Aromatic
C2	N1	doub	1.32Å	1.34Å	Aromatic
C2	H3	sing	1.08Å	1.08Å
N1	C6	sing	1.33Å	1.35Å	Aromatic
C6	N6	sing	1.38Å	1.36Å
N6	HN61	sing	0.97Å	1.00Å
N6	HN62	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2A	MG	O2B	87.5°	135.8°
MG	O2A	PA	125.1°	96.8°
MG	O2B	PB	128.0°	96.8°
O2A	PA	O1A	109.9°	109.8°
O2A	PA	O3A	114.8°	107.9°
O2A	PA	O5'	104.0°	109.8°
O1A	PA	O3A	112.3°	109.8°
O1A	PA	O5'	110.6°	109.8°
O3A	PA	O5'	104.8°	109.8°
PA	O3A	PB	132.5°	111.3°
PA	O5'	C5'	118.7°	106.8°
O3A	PB	O1B	108.8°	109.8°
O3A	PB	O2B	98.3°	107.8°
O3A	PB	N3B	105.1°	109.8°
O1B	PB	O2B	121.6°	109.8°
O1B	PB	N3B	110.6°	109.8°
O2B	PB	N3B	110.5°	109.8°
PB	N3B	H3B1	109.4°	106.7°
PB	N3B	H3B2	109.5°	106.7°
H3B1	N3B	H3B2	109.5°	106.7°
O5'	C5'	C4'	107.0°	109.5°
O5'	C5'	H5'1	110.9°	109.5°
O5'	C5'	H5'2	110.3°	109.4°
C4'	C5'	H5'1	110.8°	109.5°
C4'	C5'	H5'2	110.3°	109.5°
C5'	C4'	C3'	110.7°	110.5°
C5'	C4'	O4'	112.3°	110.4°
C5'	C4'	H4'	105.5°	110.3°
H5'1	C5'	H5'2	107.6°	109.5°
C3'	C4'	O4'	105.6°	104.8°
C3'	C4'	H4'	112.2°	110.4°
C4'	C3'	O3'	110.5°	110.5°
C4'	C3'	C2'	101.3°	104.1°
C4'	C3'	H3'	115.4°	110.5°
O4'	C4'	H4'	110.6°	110.4°
C4'	O4'	C1'	109.2°	105.2°
O3'	C3'	C2'	113.3°	110.6°
O3'	C3'	H3'	103.9°	110.4°
C3'	O3'	H2	109.5°	106.8°
C2'	C3'	H3'	112.8°	110.6°
C3'	C2'	O2'	110.5°	110.5°
C3'	C2'	C1'	102.8°	104.0°
C3'	C2'	H1	113.4°	110.5°
O2'	C2'	C1'	110.3°	110.8°
O2'	C2'	H1	106.3°	110.5°
C2'	O2'	H2'	109.5°	106.7°
C1'	C2'	H1	113.6°	110.5°
C2'	C1'	O4'	106.2°	104.9°
C2'	C1'	N9	106.7°	110.3°
C2'	C1'	H1'	113.5°	110.4°
O4'	C1'	N9	110.0°	110.4°
O4'	C1'	H1'	110.4°	110.3°
N9	C1'	H1'	109.9°	110.4°
C1'	N9	C4	125.5°	126.3°
C1'	N9	C8	126.3°	126.3°
C4	N9	C8	108.2°	107.5°
N9	C4	C5	106.5°	106.0°
N9	C4	N3	135.0°	135.0°
N9	C8	N7	111.2°	110.0°
N9	C8	H8	124.4°	125.1°
C5	C4	N3	118.6°	119.1°
C4	C5	N7	106.7°	107.1°
C4	C5	C6	117.8°	118.1°
C4	N3	C2	120.5°	120.7°
N7	C5	C6	135.5°	134.7°
C5	N7	C8	107.4°	109.4°
C5	C6	N1	117.7°	118.5°
C5	C6	N6	120.5°	120.7°
N7	C8	H8	124.4°	125.0°
N3	C2	N1	124.3°	122.4°
N3	C2	H3	117.8°	118.8°
N1	C2	H3	117.9°	118.8°
C2	N1	C6	121.2°	121.2°
N1	C6	N6	121.8°	120.8°
C6	N6	HN61	109.5°	120.0°
C6	N6	HN62	109.5°	120.0°
HN61	N6	HN62	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
MG	O2A	PA	O1A	145.3°	82.6°
MG	O2A	PA	O3A	17.7°	37.0°
MG	O2A	PA	O5'	96.2°	156.7°
O2A	MG	O2B	PB	65.3°	3.3°
O2B	MG	O2A	PA	11.8°	3.3°
MG	O2B	PB	O3A	66.6°	37.1°
MG	O2B	PB	O1B	175.2°	156.7°
MG	O2B	PB	N3B	43.0°	82.5°
O2A	PA	O1A	O3A	129.1°	118.4°
O2A	PA	O1A	O5'	114.3°	120.8°
O2A	PA	O3A	O5'	113.5°	119.6°
O2A	PA	O3A	PB	22.7°	91.1°
O2A	PA	O5'	C5'	176.4°	65.8°
O1A	PA	O3A	O5'	120.1°	120.8°
O1A	PA	O3A	PB	149.2°	28.5°
O1A	PA	O5'	C5'	58.5°	55.0°
PA	O3A	PB	O1B	141.5°	149.3°
PA	O3A	PB	O2B	13.9°	91.1°
PA	O3A	PB	N3B	100.0°	28.5°
O3A	PA	O5'	C5'	62.7°	175.8°
O5'	PA	O3A	PB	90.8°	149.3°
PA	O5'	C5'	C4'	132.9°	180.0°
PA	O5'	C5'	H5'1	11.9°	60.0°
PA	O5'	C5'	H5'2	107.1°	60.0°
O3A	PB	O1B	O2B	112.9°	118.4°
O3A	PB	O1B	N3B	115.0°	120.8°
O3A	PB	O2B	N3B	109.6°	119.6°
O3A	PB	N3B	H3B1	53.8°	68.4°
O3A	PB	N3B	H3B2	66.2°	177.8°
O1B	PB	O2B	N3B	132.2°	120.8°
O1B	PB	N3B	H3B1	63.5°	52.4°
O1B	PB	N3B	H3B2	176.5°	61.4°
O2B	PB	N3B	H3B1	158.9°	173.2°
O2B	PB	N3B	H3B2	39.0°	59.4°
PB	N3B	H3B1	H3B2	120.0°	113.8°
O5'	C5'	C4'	H5'1	121.0°	120.0°
O5'	C5'	C4'	H5'2	120.0°	119.9°
O5'	C5'	H5'1	H5'2	120.7°	120.0°
O5'	C5'	C4'	C3'	174.3°	178.1°
O5'	C5'	C4'	O4'	67.9°	66.4°
O5'	C5'	C4'	H4'	52.7°	55.8°
C4'	C5'	H5'1	H5'2	120.7°	120.0°
C5'	C4'	C3'	O4'	121.9°	118.9°
C5'	C4'	C3'	H4'	117.5°	122.2°
C5'	C4'	O4'	H4'	117.6°	122.2°
C5'	C4'	C3'	O3'	81.9°	98.3°
C5'	C4'	C3'	C2'	157.8°	143.0°
C5'	C4'	C3'	H3'	35.6°	24.2°
C5'	C4'	O4'	C1'	141.2°	159.5°
H5'1	C5'	C4'	C3'	53.3°	58.1°
H5'1	C5'	C4'	O4'	171.1°	173.6°
H5'1	C5'	C4'	H4'	68.3°	64.2°
H5'2	C5'	C4'	C3'	65.8°	61.9°
H5'2	C5'	C4'	O4'	52.1°	53.6°
H5'2	C5'	C4'	H4'	172.6°	175.8°
C3'	C4'	O4'	H4'	121.6°	118.9°
C4'	C3'	O3'	C2'	112.8°	114.7°
C4'	C3'	O3'	H3'	124.4°	122.6°
C4'	C3'	C2'	H3'	124.0°	118.7°
C4'	C3'	O3'	H2	170.8°	180.0°
C4'	C3'	C2'	O2'	80.6°	118.8°
C4'	C3'	C2'	C1'	37.0°	0.1°
C4'	C3'	C2'	H1	160.1°	118.6°
C3'	C4'	O4'	C1'	20.4°	40.5°
O4'	C4'	C3'	O3'	156.2°	142.8°
O4'	C4'	C3'	C2'	35.9°	24.0°
O4'	C4'	C3'	H3'	86.3°	94.7°
C4'	O4'	C1'	C2'	3.7°	40.4°
C4'	O4'	C1'	N9	111.3°	159.3°
C4'	O4'	C1'	H1'	127.2°	78.4°
H4'	C4'	C3'	O3'	35.6°	23.9°
H4'	C4'	C3'	C2'	84.7°	94.8°
H4'	C4'	C3'	H3'	153.1°	146.5°
H4'	C4'	O4'	C1'	101.2°	78.4°
O3'	C3'	C2'	H3'	117.7°	122.6°
O3'	C3'	C2'	O2'	37.7°	0.1°
O3'	C3'	C2'	C1'	155.4°	118.8°
O3'	C3'	C2'	H1	81.6°	122.7°
C2'	C3'	O3'	H2	76.3°	65.3°
C3'	C2'	O2'	C1'	112.9°	114.6°
C3'	C2'	O2'	H1	123.5°	122.6°
C3'	C2'	C1'	H1	122.9°	118.6°
C3'	C2'	O2'	H2'	148.6°	61.5°
C3'	C2'	C1'	O4'	26.1°	23.9°
C3'	C2'	C1'	N9	91.2°	142.7°
C3'	C2'	C1'	H1'	147.6°	95.0°
H3'	C3'	O3'	H2	46.4°	57.5°
H3'	C3'	C2'	O2'	155.4°	122.6°
H3'	C3'	C2'	C1'	86.9°	118.6°
H3'	C3'	C2'	H1	36.1°	0.0°
O2'	C2'	C1'	H1	119.3°	122.7°
O2'	C2'	C1'	O4'	91.7°	142.6°
O2'	C2'	C1'	N9	151.0°	98.6°
O2'	C2'	C1'	H1'	29.8°	23.7°
C1'	C2'	O2'	H2'	98.5°	176.1°
C2'	C1'	O4'	N9	115.0°	118.9°
C2'	C1'	O4'	H1'	123.5°	118.9°
C2'	C1'	N9	H1'	123.5°	122.3°
C2'	C1'	N9	C4	56.3°	86.6°
C2'	C1'	N9	C8	122.6°	93.5°
H1	C2'	O2'	H2'	25.1°	61.2°
H1	C2'	C1'	O4'	149.0°	94.7°
H1	C2'	C1'	N9	31.7°	24.2°
H1	C2'	C1'	H1'	89.5°	146.4°
O4'	C1'	N9	H1'	121.8°	122.2°
O4'	C1'	N9	C4	171.0°	157.9°
O4'	C1'	N9	C8	7.9°	22.0°
C1'	N9	C4	C8	179.1°	180.0°
C1'	N9	C4	C5	179.1°	179.8°
C1'	N9	C4	N3	1.2°	0.1°
C1'	N9	C8	N7	179.3°	180.0°
C1'	N9	C8	H8	0.7°	0.0°
H1'	C1'	N9	C4	67.2°	35.7°
H1'	C1'	N9	C8	113.9°	144.3°
N9	C4	C5	N3	179.8°	179.8°
N9	C4	C5	N7	0.3°	0.5°
N9	C4	C5	C6	179.4°	179.6°
C4	N9	C8	N7	0.3°	0.0°
C4	N9	C8	H8	179.7°	179.9°
N9	C4	N3	C2	179.5°	180.0°
C8	N9	C4	C5	0.0°	0.3°
C8	N9	C4	N3	179.7°	180.0°
N9	C8	N7	C5	0.4°	0.3°
N9	C8	N7	H8	180.0°	180.0°
C4	C5	N7	C6	178.9°	179.0°
C4	C5	N7	C8	0.4°	0.5°
C5	C4	N3	C2	0.1°	0.3°
C4	C5	C6	N1	0.5°	0.6°
C4	C5	C6	N6	179.8°	179.7°
N3	C4	C5	N7	179.5°	179.8°
N3	C4	C5	C6	0.3°	0.6°
C4	N3	C2	N1	0.1°	0.0°
C4	N3	C2	H3	179.9°	180.0°
C5	N7	C8	H8	179.6°	179.8°
N7	C5	C6	N1	179.3°	179.5°
N7	C5	C6	N6	1.4°	0.8°
C6	C5	N7	C8	179.3°	179.5°
C5	C6	N1	C2	0.5°	0.3°
C5	C6	N1	N6	179.3°	179.7°
C5	C6	N6	HN61	77.5°	179.7°
C5	C6	N6	HN62	42.5°	0.6°
N3	C2	N1	H3	180.0°	179.9°
N3	C2	N1	C6	0.3°	0.1°
C2	N1	C6	N6	179.7°	180.0°
H3	C2	N1	C6	179.7°	180.0°
N1	C6	N6	HN61	101.7°	0.0°
N1	C6	N6	HN62	138.3°	179.7°
C6	N6	HN61	HN62	120.0°	179.7°

Definition date:	2006-02-19
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB