44P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1'	N1	sing	1.47Å	1.51Å
C6	N1	sing	1.37Å	1.42Å
N1	C2	sing	1.35Å	1.45Å
C2	O2	doub	1.22Å	1.23Å
C2	N3	sing	1.35Å	1.41Å
C4	N3	sing	1.35Å	1.40Å
C5	C4	sing	1.42Å	1.39Å
C4	O4	doub	1.22Å	1.24Å
C6	C5	doub	1.35Å	1.41Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C3A	PA	sing	1.82Å	1.78Å
O2A	PA	doub	1.48Å	1.49Å
PA	O1A	sing	1.61Å	1.48Å
PA	O5'	sing	1.61Å	1.59Å
O1B	PB	doub	1.48Å	1.65Å
O3B	PB	sing	1.61Å	1.65Å
O2B	PB	sing	1.61Å	1.48Å
PB	C3A	sing	1.82Å	1.79Å
C2'	C1'	sing	1.55Å	1.56Å
O4'	C1'	sing	1.44Å	1.49Å
C1'	H1'	sing	1.09Å	1.10Å
O1A	HO1A	sing	0.97Å	0.95Å
C3'	C2'	sing	1.55Å	1.52Å
C2'	O2'	sing	1.43Å	1.43Å
C2'	H2'	sing	1.09Å	1.10Å
O2'	HO2'	sing	0.97Å	0.95Å
O2B	HO2B	sing	0.97Å	0.95Å
C3'	C4'	sing	1.54Å	1.53Å
C3'	O3'	sing	1.43Å	1.42Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3'	sing	0.97Å	0.95Å
C3A	H3A	sing	1.09Å	1.10Å
C3A	H3AA	sing	1.09Å	1.10Å
O3B	HO3B	sing	0.97Å	0.95Å
C5'	C4'	sing	1.53Å	1.53Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	H4'	sing	1.09Å	1.10Å
O5'	C5'	sing	1.43Å	1.40Å
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5'A	sing	1.09Å	1.10Å
N3	HN3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1'	N1	C6	119.7°	119.7°
C1'	N1	C2	122.7°	119.7°
N1	C1'	C2'	124.2°	110.6°
N1	C1'	O4'	106.6°	110.6°
N1	C1'	H1'	99.4°	110.5°
C6	N1	C2	117.6°	120.6°
N1	C6	C5	120.7°	119.7°
N1	C6	H6	119.7°	120.2°
N1	C2	O2	124.0°	119.5°
N1	C2	N3	119.5°	120.9°
O2	C2	N3	116.4°	119.6°
C2	N3	C4	121.7°	120.3°
C2	N3	HN3	119.2°	119.8°
N3	C4	C5	119.1°	119.4°
N3	C4	O4	119.0°	120.3°
C4	N3	HN3	119.1°	119.9°
C5	C4	O4	121.9°	120.3°
C4	C5	C6	121.4°	119.1°
C4	C5	H5	119.3°	120.4°
C6	C5	H5	119.3°	120.5°
C5	C6	H6	119.6°	120.1°
C3A	PA	O2A	114.2°	109.5°
C3A	PA	O1A	105.9°	109.5°
C3A	PA	O5'	103.0°	109.5°
PA	C3A	PB	117.8°	109.5°
PA	C3A	H3A	106.8°	109.4°
PA	C3A	H3AA	104.8°	109.5°
O2A	PA	O1A	119.9°	109.4°
O2A	PA	O5'	106.6°	109.4°
O1A	PA	O5'	105.5°	109.5°
PA	O1A	HO1A	109.5°	114.0°
PA	O5'	C5'	125.5°	123.0°
O1B	PB	O3B	106.2°	109.5°
O1B	PB	O2B	111.2°	109.5°
O1B	PB	C3A	113.7°	109.5°
O3B	PB	O2B	113.7°	109.5°
O3B	PB	C3A	103.9°	109.4°
PB	O3B	HO3B	109.5°	114.0°
O2B	PB	C3A	108.2°	109.4°
PB	O2B	HO2B	109.5°	114.0°
PB	C3A	H3A	106.8°	109.4°
PB	C3A	H3AA	104.8°	109.5°
C2'	C1'	O4'	102.2°	103.6°
C2'	C1'	H1'	103.9°	110.6°
C1'	C2'	C3'	100.7°	102.1°
C1'	C2'	O2'	114.7°	110.9°
C1'	C2'	H2'	111.6°	110.9°
O4'	C1'	H1'	122.4°	110.6°
C1'	O4'	C4'	108.0°	106.9°
C3'	C2'	O2'	108.6°	110.9°
C3'	C2'	H2'	117.4°	111.0°
C2'	C3'	C4'	103.3°	104.2°
C2'	C3'	O3'	110.8°	110.5°
C2'	C3'	H3'	112.0°	110.5°
O2'	C2'	H2'	104.2°	110.8°
C2'	O2'	HO2'	109.5°	114.0°
C4'	C3'	O3'	107.5°	110.5°
C4'	C3'	H3'	115.1°	110.4°
C3'	C4'	C5'	110.1°	109.9°
C3'	C4'	O4'	106.9°	107.3°
C3'	C4'	H4'	111.5°	109.8°
O3'	C3'	H3'	108.0°	110.6°
C3'	O3'	HO3'	109.5°	114.0°
H3A	C3A	H3AA	116.3°	109.5°
C5'	C4'	O4'	111.7°	110.0°
C5'	C4'	H4'	106.7°	110.0°
C4'	C5'	O5'	106.8°	109.5°
C4'	C5'	H5'	110.4°	109.5°
C4'	C5'	H5'A	110.9°	109.4°
O4'	C4'	H4'	109.9°	109.7°
O5'	C5'	H5'	110.4°	109.5°
O5'	C5'	H5'A	110.9°	109.5°
H5'	C5'	H5'A	107.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1'	N1	C6	C2	177.9°	179.8°
C1'	N1	C2	O2	1.3°	0.2°
C1'	N1	C2	N3	178.5°	179.7°
C1'	N1	C6	C5	178.7°	179.7°
C1'	N1	C6	H6	1.3°	0.2°
N1	C1'	C2'	O4'	120.0°	118.6°
N1	C1'	C2'	H1'	111.8°	122.8°
N1	C1'	O4'	H1'	113.0°	122.8°
N1	C1'	C2'	C3'	162.2°	155.5°
N1	C1'	C2'	O2'	81.5°	86.3°
N1	C1'	C2'	H2'	36.7°	37.2°
N1	C1'	O4'	C4'	160.6°	158.4°
C6	N1	C2	O2	179.1°	180.0°
C6	N1	C2	N3	0.7°	0.1°
N1	C6	C5	C4	0.4°	0.1°
N1	C6	C5	H6	180.0°	179.9°
N1	C6	C5	H5	179.6°	180.0°
C6	N1	C1'	C2'	83.4°	63.0°
C6	N1	C1'	O4'	34.6°	51.2°
C6	N1	C1'	H1'	162.6°	174.1°
N1	C2	O2	N3	179.9°	179.9°
N1	C2	N3	C4	0.1°	0.1°
C2	N1	C6	C5	0.9°	0.1°
C2	N1	C6	H6	179.1°	180.0°
C2	N1	C1'	C2'	98.8°	117.1°
C2	N1	C1'	O4'	143.2°	128.6°
C2	N1	C1'	H1'	15.2°	5.7°
N1	C2	N3	HN3	179.9°	180.0°
O2	C2	N3	C4	179.7°	180.0°
O2	C2	N3	HN3	0.2°	0.1°
C2	N3	C4	HN3	180.0°	179.9°
C2	N3	C4	C5	0.4°	0.0°
C2	N3	C4	O4	179.8°	180.0°
N3	C4	C5	O4	179.4°	179.9°
N3	C4	C5	C6	0.3°	0.1°
N3	C4	C5	H5	179.7°	179.9°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.6°	180.0°
C5	C4	N3	HN3	179.6°	180.0°
O4	C4	C5	C6	179.6°	180.0°
O4	C4	C5	H5	0.4°	0.1°
O4	C4	N3	HN3	0.2°	0.1°
H5	C5	C6	H6	0.4°	0.1°
C3A	PA	O2A	O1A	127.3°	120.0°
C3A	PA	O2A	O5'	113.1°	120.0°
C3A	PA	O1A	O5'	108.8°	120.0°
PA	C3A	PB	O1B	20.5°	60.0°
PA	C3A	PB	O3B	135.4°	60.0°
PA	C3A	PB	O2B	103.5°	180.0°
PA	C3A	PB	H3A	120.0°	119.9°
PA	C3A	PB	H3AA	116.1°	120.0°
C3A	PA	O1A	HO1A	115.3°	60.0°
PA	C3A	H3A	H3AA	116.6°	120.0°
C3A	PA	O5'	C5'	32.4°	175.0°
O2A	PA	O1A	O5'	120.2°	119.9°
O2A	PA	C3A	PB	21.7°	60.0°
O2A	PA	O1A	HO1A	113.7°	180.0°
O2A	PA	C3A	H3A	141.7°	180.0°
O2A	PA	C3A	H3AA	94.4°	60.0°
O2A	PA	O5'	C5'	88.2°	55.0°
O1A	PA	C3A	PB	112.5°	60.0°
O1A	PA	C3A	H3A	7.5°	60.0°
O1A	PA	C3A	H3AA	131.4°	180.0°
O1A	PA	O5'	C5'	143.2°	64.9°
O5'	PA	C3A	PB	136.9°	180.0°
O5'	PA	O1A	HO1A	6.5°	60.1°
O5'	PA	C3A	H3A	103.1°	60.1°
O5'	PA	C3A	H3AA	20.8°	60.0°
PA	O5'	C5'	C4'	131.5°	180.0°
PA	O5'	C5'	H5'	11.5°	60.0°
PA	O5'	C5'	H5'A	107.5°	60.0°
O1B	PB	O3B	O2B	122.5°	120.0°
O1B	PB	O3B	C3A	120.2°	120.0°
O1B	PB	O2B	C3A	125.5°	120.0°
O1B	PB	O2B	HO2B	59.3°	60.0°
O1B	PB	C3A	H3A	99.6°	60.0°
O1B	PB	C3A	H3AA	136.5°	180.0°
O1B	PB	O3B	HO3B	145.3°	180.0°
O3B	PB	O2B	C3A	114.8°	119.9°
O3B	PB	O2B	HO2B	60.4°	60.0°
O3B	PB	C3A	H3A	15.4°	180.0°
O3B	PB	C3A	H3AA	108.5°	60.0°
O2B	PB	C3A	H3A	136.4°	60.0°
O2B	PB	C3A	H3AA	12.5°	60.0°
O2B	PB	O3B	HO3B	92.2°	59.9°
C3A	PB	O2B	HO2B	175.2°	180.0°
PB	C3A	H3A	H3AA	116.5°	120.0°
C3A	PB	O3B	HO3B	25.1°	60.0°
C2'	C1'	O4'	H1'	115.4°	118.6°
C1'	C2'	C3'	O2'	120.8°	118.1°
C1'	C2'	C3'	H2'	121.4°	118.2°
C1'	C2'	O2'	H2'	122.3°	123.6°
C1'	C2'	O2'	HO2'	23.2°	180.0°
C1'	C2'	C3'	C4'	39.6°	20.9°
C1'	C2'	C3'	O3'	75.3°	97.8°
C1'	C2'	C3'	H3'	164.0°	139.6°
C2'	C1'	O4'	C4'	28.9°	39.8°
O4'	C1'	C2'	C3'	42.2°	37.0°
O4'	C1'	C2'	O2'	158.5°	155.1°
O4'	C1'	C2'	H2'	83.3°	81.3°
C1'	O4'	C4'	C3'	4.2°	26.2°
C1'	O4'	C4'	C5'	124.7°	145.8°
C1'	O4'	C4'	H4'	117.0°	93.1°
H1'	C1'	C2'	C3'	86.0°	81.6°
H1'	C1'	C2'	O2'	30.3°	36.5°
H1'	C1'	C2'	H2'	148.5°	160.1°
H1'	C1'	O4'	C4'	86.5°	78.8°
C3'	C2'	O2'	H2'	125.9°	123.7°
C3'	C2'	O2'	HO2'	134.9°	67.4°
C2'	C3'	C4'	O3'	117.2°	118.7°
C2'	C3'	C4'	H3'	122.4°	118.6°
C2'	C3'	O3'	H3'	123.1°	122.6°
C2'	C3'	O3'	HO3'	43.8°	61.5°
C2'	C3'	C4'	C5'	98.5°	121.4°
C2'	C3'	C4'	O4'	23.0°	1.8°
C2'	C3'	C4'	H4'	143.2°	117.4°
O2'	C2'	C3'	C4'	160.4°	139.1°
O2'	C2'	C3'	O3'	45.5°	20.4°
O2'	C2'	C3'	H3'	75.2°	102.3°
H2'	C2'	O2'	HO2'	99.1°	56.4°
H2'	C2'	C3'	C4'	81.8°	97.3°
H2'	C2'	C3'	O3'	163.3°	144.0°
H2'	C2'	C3'	H3'	42.6°	21.3°
C4'	C3'	O3'	H3'	124.8°	122.6°
C4'	C3'	O3'	HO3'	68.4°	176.3°
C3'	C4'	C5'	O4'	118.6°	118.0°
C3'	C4'	C5'	H4'	121.2°	121.1°
C3'	C4'	O4'	H4'	121.2°	119.3°
C3'	C4'	C5'	O5'	158.6°	175.0°
C3'	C4'	C5'	H5'	38.6°	55.0°
C3'	C4'	C5'	H5'A	80.4°	65.0°
O3'	C3'	C4'	C5'	144.4°	119.9°
O3'	C3'	C4'	O4'	94.1°	120.5°
O3'	C3'	C4'	H4'	26.0°	1.3°
H3'	C3'	O3'	HO3'	166.9°	61.1°
H3'	C3'	C4'	C5'	23.9°	2.8°
H3'	C3'	C4'	O4'	145.4°	116.8°
H3'	C3'	C4'	H4'	94.4°	124.0°
C5'	C4'	O4'	H4'	118.3°	121.1°
C4'	C5'	O5'	H5'	120.0°	120.0°
C4'	C5'	O5'	H5'A	121.0°	120.0°
C4'	C5'	H5'	H5'A	121.1°	119.9°
O4'	C4'	C5'	O5'	82.8°	67.0°
O4'	C4'	C5'	H5'	157.2°	173.0°
O4'	C4'	C5'	H5'A	38.2°	53.0°
H4'	C4'	C5'	O5'	37.4°	53.9°
H4'	C4'	C5'	H5'	82.6°	66.1°
H4'	C4'	C5'	H5'A	158.4°	174.0°
O5'	C5'	H5'	H5'A	121.1°	120.1°

Definition date:	2010-06-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2XGS