50T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N1	sing	1.32Å	1.35Å	Aromatic
C2	N3	doub	1.32Å	1.37Å	Aromatic
C4	C5	doub	1.40Å	1.37Å	Aromatic
C4	N9	sing	1.37Å	1.33Å	Aromatic
C4	N3	sing	1.33Å	1.36Å	Aromatic
C5	C6	sing	1.41Å	1.48Å	Aromatic
C5	N7	sing	1.36Å	1.35Å	Aromatic
C6	N1	doub	1.33Å	1.36Å	Aromatic
C6	N6	sing	1.38Å	1.47Å
C8	N9	sing	1.36Å	1.36Å	Aromatic
C1'	N9	sing	1.47Å	1.48Å
C8	N7	doub	1.30Å	1.34Å	Aromatic
O3B	VB	sing	1.84Å	2.12Å
O2'	C2'	sing	1.43Å	1.46Å
O2B	VB	sing	1.84Å	1.77Å
O3'	C3'	sing	1.43Å	1.48Å
C3'	C4'	sing	1.54Å	1.54Å
C3'	C2'	sing	1.55Å	1.49Å
C4'	C5'	sing	1.53Å	1.52Å
C4'	O4'	sing	1.44Å	1.44Å
C5'	O5'	sing	1.43Å	1.43Å
O5'	PA	sing	1.61Å	1.58Å
PA	O1A	doub	1.48Å	1.50Å
PA	O2A	sing	1.61Å	1.59Å
PA	O3A	sing	1.61Å	1.63Å
O3A	VB	sing	1.84Å	1.82Å
O1B	VB	sing	1.84Å	1.78Å
O4B	VB	sing	1.84Å	1.93Å
C2'	C1'	sing	1.55Å	1.54Å
C1'	O4'	sing	1.44Å	1.42Å
O2A	HOA	sing	0.97Å	0.95Å
C2	H2	sing	1.08Å	1.08Å
N6	H61N	sing	0.97Å	1.00Å
N6	H62N	sing	0.97Å	1.00Å
C8	H8	sing	1.08Å	1.08Å
O3B	H3B	sing	0.97Å	0.95Å
O2'	H2'	sing	0.97Å	0.95Å
C2'	HA	sing	1.09Å	1.10Å
O3'	H3'	sing	0.97Å	0.95Å
C3'	HB	sing	1.09Å	1.10Å
C4'	H4'	sing	1.09Å	1.10Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
O1B	H1B	sing	0.97Å	0.95Å
O2B	H2B	sing	0.97Å	0.95Å
O4B	H4B	sing	0.97Å	0.95Å
C1'	H1'	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	N3	121.6°	122.5°
C2	N1	C6	119.7°	121.2°
N1	C2	H2	119.2°	118.8°
C2	N3	C4	121.5°	120.6°
N3	C2	H2	119.2°	118.7°
C5	C4	N9	106.2°	106.0°
C5	C4	N3	120.1°	119.1°
C4	C5	C6	117.4°	118.2°
C4	C5	N7	108.2°	107.1°
N9	C4	N3	133.7°	135.0°
C4	N9	C8	110.6°	107.5°
C4	N9	C1'	124.0°	126.2°
C6	C5	N7	134.4°	134.7°
C5	C6	N1	119.6°	118.4°
C5	C6	N6	120.1°	120.8°
C5	N7	C8	108.6°	109.5°
N1	C6	N6	120.3°	120.8°
C6	N6	H61N	109.5°	120.0°
C6	N6	H62N	109.5°	120.0°
C8	N9	C1'	125.4°	126.3°
N9	C8	N7	106.4°	109.9°
N9	C8	H8	126.8°	125.0°
N9	C1'	C2'	107.0°	110.6°
N9	C1'	O4'	110.1°	110.6°
N9	C1'	H1'	112.4°	110.5°
N7	C8	H8	126.8°	125.0°
O3B	VB	O2B	89.6°	90.0°
O3B	VB	O3A	170.8°	180.0°
O3B	VB	O1B	90.0°	90.0°
O3B	VB	O4B	86.1°	90.0°
VB	O3B	H3B	109.5°	114.0°
O2'	C2'	C3'	112.2°	110.9°
O2'	C2'	C1'	111.4°	110.9°
C2'	O2'	H2'	109.5°	114.0°
O2'	C2'	HA	111.5°	110.8°
O2B	VB	O3A	91.9°	90.0°
O2B	VB	O1B	116.7°	120.0°
O2B	VB	O4B	128.3°	120.0°
VB	O2B	H2B	109.5°	114.0°
O3'	C3'	C4'	105.5°	110.5°
O3'	C3'	C2'	113.1°	110.5°
C3'	O3'	H3'	109.5°	114.0°
O3'	C3'	HB	112.4°	110.4°
C4'	C3'	C2'	101.4°	104.2°
C3'	C4'	C5'	108.6°	109.9°
C3'	C4'	O4'	107.0°	107.3°
C4'	C3'	HB	111.5°	110.5°
C3'	C4'	H4'	110.7°	109.9°
C3'	C2'	C1'	99.6°	102.1°
C3'	C2'	HA	111.1°	110.9°
C2'	C3'	HB	112.2°	110.6°
C5'	C4'	O4'	107.1°	109.9°
C4'	C5'	O5'	109.4°	109.5°
C5'	C4'	H4'	111.1°	109.9°
C4'	C5'	H5'1	109.5°	109.4°
C4'	C5'	H5'2	109.5°	109.5°
C4'	O4'	C1'	105.9°	107.0°
O4'	C4'	H4'	112.3°	110.0°
C5'	O5'	PA	130.2°	123.0°
O5'	C5'	H5'1	109.5°	109.5°
O5'	C5'	H5'2	109.5°	109.5°
O5'	PA	O1A	106.5°	109.5°
O5'	PA	O2A	105.3°	109.5°
O5'	PA	O3A	104.5°	109.4°
O1A	PA	O2A	113.5°	109.5°
O1A	PA	O3A	119.1°	109.5°
O2A	PA	O3A	106.9°	109.5°
PA	O2A	HOA	109.5°	114.0°
PA	O3A	VB	142.7°	114.0°
O3A	VB	O1B	97.4°	90.0°
O3A	VB	O4B	85.9°	90.0°
O1B	VB	O4B	114.8°	120.0°
VB	O1B	H1B	109.5°	114.0°
VB	O4B	H4B	109.5°	114.0°
C2'	C1'	O4'	101.8°	103.5°
C1'	C2'	HA	110.5°	110.9°
C2'	C1'	H1'	111.6°	110.6°
O4'	C1'	H1'	113.4°	110.7°
H61N	N6	H62N	109.4°	119.9°
H5'1	C5'	H5'2	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	H2	180.0°	179.7°
N1	C2	N3	C4	1.3°	0.0°
C2	N1	C6	C5	2.7°	0.1°
C2	N1	C6	N6	178.9°	180.0°
C2	N3	C4	C5	1.1°	0.0°
C2	N3	C4	N9	179.1°	180.0°
N3	C2	N1	C6	2.1°	0.0°
C5	C4	N9	N3	178.3°	180.0°
C4	C5	C6	N7	178.0°	180.0°
C4	C5	C6	N1	2.4°	0.0°
C4	C5	C6	N6	179.2°	180.0°
C5	C4	N9	C8	1.0°	0.0°
C5	C4	N9	C1'	177.8°	180.0°
C4	C5	N7	C8	1.3°	0.0°
N9	C4	C5	C6	179.9°	180.0°
N9	C4	C5	N7	1.4°	0.0°
C4	N9	C8	C1'	176.8°	180.0°
C4	N9	C8	N7	0.2°	0.0°
C4	N9	C1'	C2'	121.5°	85.0°
C4	N9	C1'	O4'	128.7°	160.9°
C4	N9	C8	H8	179.8°	179.9°
C4	N9	C1'	H1'	1.3°	37.9°
N3	C4	C5	C6	1.6°	0.0°
N3	C4	C5	N7	180.0°	180.0°
N3	C4	N9	C8	179.2°	180.0°
N3	C4	N9	C1'	3.9°	0.0°
C4	N3	C2	H2	178.7°	179.7°
C5	C6	N1	N6	178.4°	180.0°
C6	C5	N7	C8	179.4°	180.0°
C5	C6	N6	H61N	178.4°	0.0°
C5	C6	N6	H62N	58.4°	180.0°
N7	C5	C6	N1	179.6°	180.0°
N7	C5	C6	N6	1.2°	0.0°
C5	N7	C8	N9	0.7°	0.0°
C5	N7	C8	H8	179.3°	180.0°
C6	N1	C2	H2	177.9°	179.7°
N1	C6	N6	H61N	0.0°	180.0°
N1	C6	N6	H62N	120.0°	0.0°
C6	N6	H61N	H62N	120.0°	179.9°
N9	C8	N7	H8	180.0°	179.9°
C8	N9	C1'	C2'	54.9°	95.0°
C8	N9	C1'	O4'	54.9°	19.1°
C8	N9	C1'	H1'	177.7°	142.1°
C1'	N9	C8	N7	177.0°	180.0°
N9	C1'	C2'	O2'	76.4°	86.3°
N9	C1'	C2'	C3'	165.1°	155.5°
N9	C1'	O4'	C4'	153.2°	158.5°
N9	C1'	C2'	O4'	115.5°	118.5°
N9	C1'	C2'	H1'	123.3°	122.8°
N9	C1'	O4'	H1'	126.9°	122.9°
C1'	N9	C8	H8	3.0°	0.1°
N9	C1'	C2'	HA	48.1°	37.3°
O3B	VB	O2B	O3A	170.9°	180.0°
O3B	VB	O2B	O1B	89.8°	90.0°
O3B	VB	O2B	O4B	84.7°	90.0°
O3B	VB	O3A	PA	3.7°	112.8°
O3B	VB	O3A	O1B	143.7°	172.8°
O3B	VB	O3A	O4B	29.3°	52.8°
O3B	VB	O1B	O4B	85.7°	90.0°
O3B	VB	O1B	H1B	180.0°	90.0°
O3B	VB	O2B	H2B	180.0°	0.0°
O3B	VB	O4B	H4B	180.0°	89.9°
O2'	C2'	C3'	O3'	43.9°	20.4°
O2'	C2'	C3'	C4'	156.3°	139.1°
O2'	C2'	C3'	C1'	117.9°	118.2°
O2'	C2'	C3'	HA	125.6°	123.6°
O2'	C2'	C1'	HA	124.5°	123.6°
O2'	C2'	C1'	O4'	168.1°	155.2°
O2'	C2'	C3'	HB	84.6°	102.2°
O2'	C2'	C1'	H1'	46.9°	36.6°
O2B	VB	O3A	PA	95.3°	180.0°
O2B	VB	O3A	O1B	117.3°	120.0°
O2B	VB	O3A	O4B	128.3°	120.0°
O2B	VB	O1B	O4B	175.2°	179.9°
O2B	VB	O3B	H3B	180.0°	180.0°
O2B	VB	O1B	H1B	90.5°	0.0°
O2B	VB	O4B	H4B	93.6°	0.1°
O3'	C3'	C4'	C2'	118.1°	118.7°
O3'	C3'	C4'	HB	122.3°	122.5°
O3'	C3'	C2'	HB	128.5°	122.5°
O3'	C3'	C4'	C5'	142.8°	119.9°
O3'	C3'	C4'	O4'	101.9°	120.7°
O3'	C3'	C2'	C1'	74.0°	97.8°
O3'	C3'	C2'	HA	169.5°	143.9°
O3'	C3'	C4'	H4'	20.7°	1.2°
C4'	C3'	C2'	HB	119.1°	118.8°
C3'	C4'	C5'	O4'	115.2°	117.8°
C3'	C4'	C5'	H4'	121.9°	121.1°
C3'	C4'	O4'	H4'	121.6°	119.5°
C3'	C4'	C5'	O5'	68.4°	175.0°
C4'	C3'	C2'	C1'	38.4°	20.9°
C3'	C4'	O4'	C1'	15.4°	26.5°
C4'	C3'	C2'	HA	78.1°	97.4°
C4'	C3'	O3'	H3'	180.0°	179.9°
C3'	C4'	C5'	H5'1	51.6°	55.0°
C3'	C4'	C5'	H5'2	171.6°	65.0°
C2'	C3'	C4'	C5'	99.1°	121.4°
C2'	C3'	C4'	O4'	16.2°	2.0°
C3'	C2'	C1'	HA	117.0°	118.2°
C3'	C2'	C1'	O4'	49.6°	37.0°
C3'	C2'	O2'	H2'	180.0°	61.5°
C2'	C3'	O3'	H3'	70.1°	65.2°
C2'	C3'	C4'	H4'	138.8°	117.5°
C3'	C2'	C1'	H1'	71.7°	81.6°
C5'	C4'	O4'	H4'	122.1°	121.1°
C4'	C5'	O5'	H5'1	120.0°	120.0°
C4'	C5'	O5'	H5'2	120.0°	120.0°
C4'	C5'	O5'	PA	156.7°	180.0°
C5'	C4'	O4'	C1'	131.6°	145.9°
C5'	C4'	C3'	HB	20.5°	2.6°
C4'	C5'	H5'1	H5'2	120.0°	120.0°
O4'	C4'	C5'	O5'	176.4°	67.2°
C4'	O4'	C1'	C2'	40.0°	40.0°
O4'	C4'	C3'	HB	135.8°	116.8°
O4'	C4'	C5'	H5'1	63.5°	172.9°
O4'	C4'	C5'	H5'2	56.4°	52.9°
C4'	O4'	C1'	H1'	80.0°	78.5°
C5'	O5'	PA	O1A	50.0°	55.0°
C5'	O5'	PA	O2A	70.7°	65.0°
C5'	O5'	PA	O3A	176.8°	175.0°
O5'	C5'	C4'	H4'	53.5°	54.0°
O5'	C5'	H5'1	H5'2	120.0°	120.1°
O5'	PA	O1A	O2A	115.3°	120.0°
O5'	PA	O1A	O3A	117.5°	120.0°
O5'	PA	O2A	O3A	110.7°	120.0°
O5'	PA	O3A	VB	108.8°	180.0°
O5'	PA	O2A	HOA	116.0°	60.0°
PA	O5'	C5'	H5'1	36.7°	60.0°
PA	O5'	C5'	H5'2	83.3°	60.0°
O1A	PA	O2A	O3A	133.3°	120.0°
O1A	PA	O3A	VB	132.7°	60.0°
O1A	PA	O2A	HOA	0.0°	180.0°
O2A	PA	O3A	VB	2.5°	60.0°
PA	O3A	VB	O1B	147.5°	60.0°
PA	O3A	VB	O4B	33.0°	60.0°
O3A	PA	O2A	HOA	133.3°	60.0°
O3A	VB	O1B	O4B	88.9°	90.0°
O3A	VB	O3B	H3B	80.8°	112.7°
O3A	VB	O1B	H1B	5.4°	90.0°
O3A	VB	O2B	H2B	9.0°	180.0°
O3A	VB	O4B	H4B	4.5°	90.1°
O1B	VB	O3B	H3B	63.3°	60.0°
O1B	VB	O2B	H2B	90.2°	90.0°
O1B	VB	O4B	H4B	91.8°	179.9°
O4B	VB	O3B	H3B	51.5°	60.0°
O4B	VB	O1B	H1B	94.3°	180.0°
O4B	VB	O2B	H2B	95.3°	90.1°
C2'	C1'	O4'	H1'	120.0°	118.6°
C1'	C2'	O2'	H2'	69.3°	174.2°
C1'	C2'	C3'	HB	157.5°	139.6°
O4'	C1'	C2'	HA	67.4°	81.2°
C1'	O4'	C4'	H4'	106.3°	93.0°
H2'	O2'	C2'	HA	54.6°	62.1°
HA	C2'	C3'	HB	41.0°	21.4°
HA	C2'	C1'	H1'	171.4°	160.2°
H3'	O3'	C3'	HB	58.3°	57.4°
HB	C3'	C4'	H4'	101.6°	123.6°
H4'	C4'	C5'	H5'1	173.5°	66.0°
H4'	C4'	C5'	H5'2	66.5°	174.0°

Release date:	2013-07-17
Definition date:	2013-06-04
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4BRE