Q16

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N02	C02	sing	1.39Å	1.36Å
C02	N01	doub	1.32Å	1.34Å	Aromatic
C02	C03	sing	1.39Å	1.41Å	Aromatic
N01	C06	sing	1.32Å	1.36Å	Aromatic
C03	C04	doub	1.38Å	1.40Å	Aromatic
C04	C07	sing	1.51Å	1.51Å
C04	C05	sing	1.39Å	1.39Å	Aromatic
C05	C06	doub	1.38Å	1.39Å	Aromatic
C06	C08	sing	1.51Å	1.54Å
C08	O09	sing	1.43Å	1.44Å
O09	C10	sing	1.43Å	1.43Å
C10	C2'	sing	1.53Å	1.52Å
C2'	N1'	sing	1.49Å	1.45Å
C2'	C3'	sing	1.54Å	1.51Å
N1'	C5'	sing	1.49Å	1.47Å
C5'	C4'	sing	1.54Å	1.51Å
C3'	C4'	sing	1.54Å	1.53Å
C4'	O11	sing	1.43Å	1.43Å
O11	C12	sing	1.43Å	1.43Å
C12	C26	sing	1.51Å	1.50Å
C26	C25	sing	1.38Å	1.39Å	Aromatic
C26	N21	doub	1.32Å	1.38Å	Aromatic
C25	C24	doub	1.39Å	1.40Å	Aromatic
C24	C27	sing	1.51Å	1.51Å
C24	C23	sing	1.38Å	1.41Å	Aromatic
C23	C22	doub	1.39Å	1.41Å	Aromatic
N21	C22	sing	1.32Å	1.36Å	Aromatic
C22	N22	sing	1.39Å	1.37Å
N02	H021	sing	0.97Å	1.00Å
N02	H022	sing	0.97Å	1.00Å
C03	H03	sing	1.08Å	1.08Å
C07	H071	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C07	H073	sing	1.09Å	1.10Å
C05	H05	sing	1.08Å	1.08Å
C08	H081	sing	1.09Å	1.10Å
C08	H082	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C2'	H2'	sing	1.09Å	1.10Å
N1'	H1'	sing	1.01Å	1.00Å
C3'	H3'1	sing	1.09Å	1.10Å
C3'	H3'2	sing	1.09Å	1.10Å
C5'	H5'1	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	H4'	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C25	H25	sing	1.08Å	1.08Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C27	H273	sing	1.09Å	1.10Å
C23	H23	sing	1.08Å	1.08Å
N22	H221	sing	0.97Å	1.00Å
N22	H222	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N02	C02	N01	118.0°	119.7°
N02	C02	C03	123.2°	119.7°
C02	N02	H021	109.5°	120.0°
C02	N02	H022	109.5°	120.0°
N01	C02	C03	118.8°	120.5°
C02	N01	C06	123.4°	121.6°
C02	C03	C04	119.0°	119.2°
C02	C03	H03	120.5°	120.4°
N01	C06	C05	119.3°	120.8°
N01	C06	C08	118.4°	119.6°
C03	C04	C07	121.4°	120.8°
C03	C04	C05	120.2°	118.5°
C04	C03	H03	120.5°	120.5°
C07	C04	C05	118.3°	120.7°
C04	C07	H071	109.5°	109.5°
C04	C07	H072	109.5°	109.5°
C04	C07	H073	109.5°	109.5°
C04	C05	C06	119.2°	119.3°
C04	C05	H05	120.4°	120.3°
C05	C06	C08	122.2°	119.6°
C06	C05	H05	120.4°	120.3°
C06	C08	O09	120.0°	109.5°
C06	C08	H081	106.8°	109.5°
C06	C08	H082	106.8°	109.4°
C08	O09	C10	108.4°	114.0°
O09	C08	H081	106.8°	109.5°
O09	C08	H082	106.8°	109.5°
O09	C10	C2'	109.0°	109.5°
O09	C10	H101	109.6°	109.5°
O09	C10	H102	109.6°	109.4°
C10	C2'	N1'	106.8°	110.4°
C10	C2'	C3'	108.3°	110.4°
C2'	C10	H101	109.6°	109.5°
C2'	C10	H102	109.6°	109.4°
C10	C2'	H2'	112.3°	110.5°
N1'	C2'	C3'	102.8°	104.6°
C2'	N1'	C5'	113.0°	104.3°
N1'	C2'	H2'	113.5°	110.4°
C2'	N1'	H1'	108.6°	111.0°
C2'	C3'	C4'	108.1°	105.1°
C3'	C2'	H2'	112.5°	110.4°
C2'	C3'	H3'1	109.8°	110.4°
C2'	C3'	H3'2	109.8°	110.3°
N1'	C5'	C4'	102.4°	104.6°
C5'	N1'	H1'	108.6°	111.0°
N1'	C5'	H5'1	111.2°	110.4°
N1'	C5'	H5'2	111.2°	110.5°
C5'	C4'	C3'	103.3°	105.1°
C5'	C4'	O11	106.6°	110.3°
C4'	C5'	H5'1	111.2°	110.4°
C4'	C5'	H5'2	111.2°	110.4°
C5'	C4'	H4'	112.9°	110.4°
C3'	C4'	O11	106.3°	110.3°
C4'	C3'	H3'1	109.8°	110.4°
C4'	C3'	H3'2	109.8°	110.3°
C3'	C4'	H4'	112.5°	110.3°
C4'	O11	C12	115.3°	114.0°
O11	C4'	H4'	114.3°	110.3°
O11	C12	C26	107.5°	109.5°
O11	C12	H121	110.0°	109.4°
O11	C12	H122	110.0°	109.5°
C12	C26	C25	117.5°	119.6°
C12	C26	N21	120.9°	119.6°
C26	C12	H121	110.0°	109.4°
C26	C12	H122	110.0°	109.5°
C25	C26	N21	121.5°	120.8°
C26	C25	C24	117.7°	119.4°
C26	C25	H25	121.2°	120.3°
C26	N21	C22	121.8°	121.6°
C25	C24	C27	119.1°	120.8°
C25	C24	C23	120.2°	118.5°
C24	C25	H25	121.1°	120.3°
C27	C24	C23	120.7°	120.7°
C24	C27	H271	109.5°	109.5°
C24	C27	H272	109.5°	109.5°
C24	C27	H273	109.4°	109.5°
C24	C23	C22	120.4°	119.1°
C24	C23	H23	119.8°	120.4°
C23	C22	N21	118.3°	120.6°
C23	C22	N22	120.1°	119.7°
C22	C23	H23	119.8°	120.5°
N21	C22	N22	121.6°	119.7°
C22	N22	H221	109.5°	120.0°
C22	N22	H222	109.5°	120.0°
H021	N02	H022	109.5°	120.0°
H071	C07	H072	109.5°	109.5°
H071	C07	H073	109.5°	109.4°
H072	C07	H073	109.5°	109.5°
H081	C08	H082	109.5°	109.5°
H101	C10	H102	109.5°	109.5°
H3'1	C3'	H3'2	109.5°	110.3°
H5'1	C5'	H5'2	109.5°	110.3°
H121	C12	H122	109.4°	109.5°
H271	C27	H272	109.5°	109.4°
H271	C27	H273	109.5°	109.5°
H272	C27	H273	109.5°	109.5°
H221	N22	H222	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N02	C02	N01	C03	177.4°	179.9°
N02	C02	N01	C06	179.0°	180.0°
N02	C02	C03	C04	179.1°	180.0°
C02	N02	H021	H022	120.0°	179.9°
N02	C02	C03	H03	0.8°	0.1°
N01	C02	C03	C04	1.9°	0.1°
C02	N01	C06	C05	2.8°	0.2°
C02	N01	C06	C08	179.7°	180.0°
N01	C02	N02	H021	0.0°	0.0°
N01	C02	N02	H022	120.0°	180.0°
N01	C02	C03	H03	178.1°	180.0°
C03	C02	N01	C06	3.6°	0.0°
C02	C03	C04	H03	180.0°	179.9°
C02	C03	C04	C07	178.7°	180.0°
C02	C03	C04	C05	0.6°	0.3°
C03	C02	N02	H021	177.3°	179.9°
C03	C02	N02	H022	57.3°	0.0°
N01	C06	C05	C04	0.1°	0.4°
N01	C06	C05	C08	177.4°	179.8°
N01	C06	C08	O09	172.6°	180.0°
N01	C06	C05	H05	179.9°	179.9°
N01	C06	C08	H081	65.9°	59.9°
N01	C06	C08	H082	51.1°	60.1°
C03	C04	C07	C05	178.2°	179.7°
C03	C04	C05	C06	1.5°	0.5°
C03	C04	C07	H071	91.0°	90.0°
C03	C04	C07	H072	149.0°	150.0°
C03	C04	C07	H073	29.0°	30.0°
C03	C04	C05	H05	178.5°	179.9°
C07	C04	C05	C06	179.6°	179.8°
C07	C04	C03	H03	1.3°	0.1°
C04	C07	H071	H072	120.0°	120.0°
C04	C07	H071	H073	120.0°	120.0°
C04	C07	H072	H073	120.0°	120.0°
C07	C04	C05	H05	0.3°	0.2°
C04	C05	C06	H05	180.0°	179.6°
C04	C05	C06	C08	177.5°	179.7°
C05	C04	C03	H03	179.4°	179.8°
C05	C04	C07	H071	90.9°	89.8°
C05	C04	C07	H072	29.1°	30.3°
C05	C04	C07	H073	149.1°	150.2°
C05	C06	C08	O09	10.0°	0.2°
C05	C06	C08	H081	111.5°	120.2°
C05	C06	C08	H082	131.4°	119.8°
C06	C08	O09	H081	121.5°	120.0°
C06	C08	O09	H082	121.5°	119.9°
C06	C08	O09	C10	126.0°	180.0°
C08	C06	C05	H05	2.5°	0.1°
C06	C08	H081	H082	115.3°	119.9°
C08	O09	C10	C2'	157.3°	180.0°
O09	C08	H081	H082	115.2°	120.0°
C08	O09	C10	H101	82.7°	60.0°
C08	O09	C10	H102	37.4°	60.0°
O09	C10	C2'	H101	119.9°	120.0°
O09	C10	C2'	H102	119.9°	120.0°
O09	C10	C2'	N1'	61.6°	66.5°
O09	C10	C2'	C3'	171.7°	178.4°
C10	O09	C08	H081	4.5°	60.0°
C10	O09	C08	H082	112.5°	60.0°
O09	C10	H101	H102	120.2°	120.0°
O09	C10	C2'	H2'	63.5°	55.9°
C10	C2'	N1'	C3'	113.9°	118.8°
C10	C2'	N1'	H2'	124.4°	122.5°
C10	C2'	C3'	H2'	124.7°	122.5°
C10	C2'	N1'	C5'	100.5°	158.2°
C10	C2'	C3'	C4'	120.8°	142.6°
C2'	C10	H101	H102	120.2°	120.0°
C10	C2'	N1'	H1'	20.1°	38.7°
C10	C2'	C3'	H3'1	119.4°	98.5°
C10	C2'	C3'	H3'2	1.0°	23.7°
N1'	C2'	C3'	H2'	122.5°	118.7°
C2'	N1'	C5'	H1'	120.5°	119.5°
C2'	N1'	C5'	C4'	29.2°	39.5°
N1'	C2'	C3'	C4'	8.0°	23.8°
N1'	C2'	C10	H101	178.5°	53.6°
N1'	C2'	C10	H102	58.3°	173.6°
N1'	C2'	C3'	H3'1	127.8°	142.8°
N1'	C2'	C3'	H3'2	111.8°	95.1°
C2'	N1'	C5'	H5'1	89.7°	158.3°
C2'	N1'	C5'	H5'2	148.0°	79.4°
C3'	C2'	N1'	C5'	13.3°	39.4°
C2'	C3'	C4'	C5'	25.1°	0.0°
C2'	C3'	C4'	H3'1	119.8°	119.0°
C2'	C3'	C4'	H3'2	119.8°	118.9°
C2'	C3'	C4'	O11	87.0°	118.9°
C3'	C2'	C10	H101	68.4°	61.6°
C3'	C2'	C10	H102	51.8°	58.4°
C3'	C2'	N1'	H1'	133.9°	80.1°
C2'	C3'	H3'1	H3'2	120.7°	122.2°
C2'	C3'	C4'	H4'	147.1°	118.9°
N1'	C5'	C4'	H5'1	118.8°	118.8°
N1'	C5'	C4'	H5'2	118.8°	118.9°
N1'	C5'	C4'	C3'	31.4°	23.9°
N1'	C5'	C4'	O11	80.4°	142.8°
C5'	N1'	C2'	H2'	135.1°	79.3°
N1'	C5'	H5'1	H5'2	123.3°	122.5°
N1'	C5'	C4'	H4'	153.2°	95.1°
C5'	C4'	C3'	O11	112.1°	118.9°
C5'	C4'	C3'	H4'	122.0°	118.9°
C5'	C4'	O11	H4'	125.5°	122.2°
C5'	C4'	O11	C12	86.0°	91.5°
C4'	C5'	N1'	H1'	149.7°	80.1°
C5'	C4'	C3'	H3'1	144.9°	118.9°
C5'	C4'	C3'	H3'2	94.7°	118.9°
C4'	C5'	H5'1	H5'2	123.3°	122.4°
C3'	C4'	O11	H4'	124.8°	122.2°
C3'	C4'	O11	C12	164.3°	152.9°
C4'	C3'	C2'	H2'	114.5°	94.9°
C4'	C3'	H3'1	H3'2	120.6°	122.1°
C3'	C4'	C5'	H5'1	87.4°	142.7°
C3'	C4'	C5'	H5'2	150.3°	95.1°
C4'	O11	C12	C26	165.0°	180.0°
O11	C4'	C3'	H3'1	32.8°	0.0°
O11	C4'	C3'	H3'2	153.3°	122.2°
O11	C4'	C5'	H5'1	160.7°	98.4°
O11	C4'	C5'	H5'2	38.4°	23.8°
C4'	O11	C12	H121	75.3°	60.0°
C4'	O11	C12	H122	45.3°	60.0°
O11	C12	C26	H121	119.7°	119.9°
O11	C12	C26	H122	119.7°	120.0°
O11	C12	C26	C25	140.2°	0.1°
O11	C12	C26	N21	40.6°	179.8°
C12	O11	C4'	H4'	39.5°	30.7°
O11	C12	H121	H122	120.9°	120.0°
C12	C26	C25	N21	179.2°	179.8°
C12	C26	C25	C24	178.7°	180.0°
C12	C26	N21	C22	179.6°	179.6°
C26	C12	H121	H122	120.9°	120.0°
C12	C26	C25	H25	1.3°	0.1°
C26	C25	C24	H25	180.0°	179.9°
C26	C25	C24	C27	179.6°	180.0°
C26	C25	C24	C23	0.7°	0.1°
C25	C26	N21	C22	0.4°	0.5°
C25	C26	C12	H121	20.5°	120.0°
C25	C26	C12	H122	100.1°	120.0°
N21	C26	C25	C24	0.5°	0.2°
C26	N21	C22	C23	1.2°	0.6°
C26	N21	C22	N22	179.5°	179.8°
N21	C26	C12	H121	160.3°	59.8°
N21	C26	C12	H122	79.1°	60.2°
N21	C26	C25	H25	179.5°	179.7°
C25	C24	C27	C23	179.7°	179.9°
C25	C24	C23	C22	0.0°	0.0°
C25	C24	C27	H271	90.1°	90.1°
C25	C24	C27	H272	149.9°	29.9°
C25	C24	C27	H273	29.9°	149.9°
C25	C24	C23	H23	180.0°	179.9°
C27	C24	C23	C22	179.7°	179.9°
C27	C24	C25	H25	0.5°	0.1°
C24	C27	H271	H272	120.0°	120.0°
C24	C27	H271	H273	120.0°	120.0°
C24	C27	H272	H273	120.0°	120.1°
C27	C24	C23	H23	0.3°	0.0°
C24	C23	C22	H23	180.0°	179.9°
C24	C23	C22	N21	0.9°	0.4°
C24	C23	C22	N22	179.7°	180.0°
C23	C24	C25	H25	179.3°	180.0°
C23	C24	C27	H271	90.1°	90.0°
C23	C24	C27	H272	29.9°	150.0°
C23	C24	C27	H273	149.9°	30.0°
C23	C22	N21	N22	179.4°	179.6°
C23	C22	N22	H221	179.4°	0.1°
C23	C22	N22	H222	60.6°	179.8°
N21	C22	C23	H23	179.0°	179.8°
N21	C22	N22	H221	0.0°	179.7°
N21	C22	N22	H222	120.0°	0.6°
N22	C22	C23	H23	0.4°	0.1°
C22	N22	H221	H222	120.0°	179.8°
H071	C07	H072	H073	120.0°	120.0°
H101	C10	C2'	H2'	56.4°	176.0°
H102	C10	C2'	H2'	176.6°	64.0°
H2'	C2'	N1'	H1'	104.3°	161.2°
H2'	C2'	C3'	H3'1	5.3°	24.0°
H2'	C2'	C3'	H3'2	125.8°	146.2°
H1'	N1'	C5'	H5'1	30.9°	38.7°
H1'	N1'	C5'	H5'2	91.4°	161.1°
H3'1	C3'	C4'	H4'	93.1°	122.1°
H3'2	C3'	C4'	H4'	27.4°	0.0°
H5'1	C5'	C4'	H4'	34.4°	23.7°
H5'2	C5'	C4'	H4'	87.9°	146.0°
H271	C27	H272	H273	120.0°	119.9°

Release date:	2014-04-02
Definition date:	2013-08-22
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4C39