3YW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.43Å
O4	C4	sing	1.43Å	1.42Å
O7	C7	doub	1.21Å	1.23Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.53Å
O6	C6	sing	1.43Å	1.42Å
C7	N2	sing	1.35Å	1.33Å
C7	C8	sing	1.51Å	1.50Å
C2	N2	sing	1.46Å	1.45Å
C2	C1	sing	1.53Å	1.54Å
C6	C5	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.43Å
O5	C1	sing	1.43Å	1.42Å
C1	O1	sing	1.43Å	1.40Å
O1	C4A	sing	1.43Å	1.43Å
C4A	C5A	sing	1.53Å	1.51Å
C5A	C6A	sing	1.53Å	1.51Å
C5A	O2	sing	1.43Å	1.43Å
C6A	O3A	sing	1.43Å	1.42Å
O3A	H1A	sing	0.97Å	0.95Å
C4A	H2A	sing	1.09Å	1.10Å
C4A	H3A	sing	1.09Å	1.10Å
C5A	H4A	sing	1.09Å	1.10Å
C6A	H5A	sing	1.09Å	1.10Å
C6A	H6	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O2	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C4	111.6°	109.5°
O3	C3	C2	111.0°	109.6°
O3	C3	H3	108.3°	109.6°
C3	O3	HO3	109.5°	114.0°
O4	C4	C3	108.9°	109.5°
O4	C4	C5	110.2°	109.5°
O4	C4	H4	110.8°	109.6°
C4	O4	HO4	109.5°	114.0°
O7	C7	N2	122.1°	120.0°
O7	C7	C8	122.0°	120.0°
C3	C4	C5	108.2°	109.1°
C4	C3	C2	111.6°	109.0°
C3	C4	H4	109.3°	109.5°
C4	C3	H3	107.0°	109.6°
C4	C5	C6	114.7°	109.5°
C4	C5	O5	108.6°	109.5°
C4	C5	H5	108.5°	109.5°
C5	C4	H4	109.3°	109.6°
C3	C2	N2	110.1°	109.6°
C3	C2	C1	115.6°	109.2°
C2	C3	H3	107.0°	109.5°
C3	C2	H2	106.3°	109.5°
O6	C6	C5	112.0°	109.5°
O6	C6	H61	108.9°	109.4°
O6	C6	H62	108.9°	109.5°
C6	O6	HO6	109.5°	114.0°
N2	C7	C8	115.9°	120.0°
C7	N2	C2	123.2°	120.1°
C7	N2	HN2	118.4°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.4°	109.5°
C7	C8	H83	109.5°	109.5°
N2	C2	C1	110.9°	109.6°
C2	N2	HN2	118.4°	120.0°
N2	C2	H2	107.2°	109.5°
C2	C1	O5	115.3°	109.4°
C2	C1	O1	116.1°	109.4°
C1	C2	H2	106.2°	109.5°
C2	C1	H1	102.2°	109.5°
C6	C5	O5	106.5°	109.5°
C6	C5	H5	108.7°	109.4°
C5	C6	H61	108.8°	109.5°
C5	C6	H62	108.8°	109.4°
C5	O5	C1	115.3°	114.1°
O5	C5	H5	109.7°	109.5°
O5	C1	O1	114.1°	109.5°
O5	C1	H1	103.1°	109.5°
C1	O1	C4A	113.3°	114.0°
O1	C1	H1	103.4°	109.5°
O1	C4A	C5A	113.8°	109.5°
O1	C4A	H2A	108.4°	109.5°
O1	C4A	H3A	108.4°	109.5°
C4A	C5A	C6A	112.2°	109.4°
C4A	C5A	O2	108.8°	109.5°
C5A	C4A	H2A	108.4°	109.5°
C5A	C4A	H3A	108.4°	109.4°
C4A	C5A	H4A	108.3°	109.4°
C6A	C5A	O2	109.8°	109.5°
C5A	C6A	O3A	110.2°	109.4°
C6A	C5A	H4A	108.3°	109.5°
C5A	C6A	H5A	109.3°	109.5°
C5A	C6A	H6	109.3°	109.5°
O2	C5A	H4A	109.4°	109.5°
C5A	O2	H21	109.5°	114.0°
C6A	O3A	H1A	109.5°	114.0°
O3A	C6A	H5A	109.3°	109.4°
O3A	C6A	H6	109.3°	109.5°
H2A	C4A	H3A	109.5°	109.5°
H5A	C6A	H6	109.4°	109.5°
H61	C6	H62	109.4°	109.4°
H81	C8	H82	109.5°	109.4°
H81	C8	H83	109.5°	109.4°
H82	C8	H83	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C4	O4	61.4°	63.3°
O3	C3	C4	C2	124.8°	119.9°
O3	C3	C4	H3	118.4°	120.2°
O3	C3	C4	C5	178.8°	176.9°
O3	C3	C2	H3	118.0°	120.2°
O3	C3	C2	N2	71.0°	63.2°
O3	C3	C2	C1	162.3°	176.8°
O3	C3	C4	H4	59.8°	56.9°
O3	C3	C2	H2	44.8°	56.9°
O4	C4	C3	C5	119.8°	119.9°
O4	C4	C3	H4	121.2°	120.2°
O4	C4	C5	H4	122.0°	120.2°
O4	C4	C3	C2	173.8°	176.9°
O4	C4	C5	C6	55.9°	62.5°
O4	C4	C5	O5	174.9°	177.5°
O4	C4	C5	H5	65.9°	57.5°
O4	C4	C3	H3	57.0°	57.0°
O7	C7	N2	C8	179.6°	180.0°
O7	C7	N2	C2	6.3°	0.0°
O7	C7	C8	H81	0.0°	90.0°
O7	C7	C8	H82	120.0°	150.0°
O7	C7	C8	H83	120.0°	29.9°
O7	C7	N2	HN2	173.8°	179.9°
C3	C4	C5	H4	119.0°	119.9°
C4	C3	C2	H3	116.8°	119.9°
C4	C3	C2	N2	163.8°	176.9°
C4	C3	C2	C1	37.1°	57.0°
C3	C4	C5	C6	174.9°	177.6°
C3	C4	C5	O5	66.1°	57.6°
C3	C4	C5	H5	53.1°	62.4°
C3	C4	O4	HO4	180.0°	180.0°
C4	C3	O3	HO3	180.0°	60.0°
C4	C3	C2	H2	80.4°	62.9°
C5	C4	C3	C2	54.0°	57.0°
C4	C5	C6	O6	61.1°	175.0°
C4	C5	C6	O5	120.1°	120.0°
C4	C5	C6	H5	121.7°	120.0°
C4	C5	O5	H5	118.5°	120.0°
C4	C5	O5	C1	61.9°	61.2°
C4	C5	C6	H61	59.3°	55.0°
C4	C5	C6	H62	178.5°	65.0°
C5	C4	C3	H3	62.8°	62.9°
C5	C4	O4	HO4	61.4°	60.3°
C3	C2	N2	C7	107.6°	155.0°
C3	C2	N2	C1	129.3°	119.8°
C3	C2	N2	H2	115.2°	120.1°
C3	C2	C1	H2	117.6°	119.9°
C3	C2	C1	O5	30.8°	57.6°
C3	C2	C1	O1	106.5°	62.4°
C2	C3	C4	H4	65.1°	62.9°
C2	C3	O3	HO3	54.8°	179.6°
C3	C2	N2	HN2	72.4°	25.1°
C3	C2	C1	H1	141.8°	177.6°
O6	C6	C5	H61	120.4°	120.0°
O6	C6	C5	H62	120.4°	120.0°
O6	C6	C5	O5	59.0°	65.0°
O6	C6	C5	H5	177.2°	55.0°
O6	C6	H61	H62	118.9°	120.0°
C7	N2	C2	HN2	180.0°	179.9°
C7	N2	C2	C1	123.1°	85.3°
N2	C7	C8	H81	179.6°	90.0°
N2	C7	C8	H82	59.5°	30.0°
N2	C7	C8	H83	60.4°	150.0°
C7	N2	C2	H2	7.6°	34.9°
C8	C7	N2	C2	173.3°	180.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.1°
C8	C7	N2	HN2	6.7°	0.0°
N2	C2	C1	H2	116.1°	120.1°
N2	C2	C1	O5	157.1°	177.6°
N2	C2	C1	O1	19.8°	57.6°
N2	C2	C3	H3	47.0°	57.1°
N2	C2	C1	H1	91.9°	62.4°
C2	C1	O5	C5	43.8°	61.1°
C2	C1	O5	O1	138.2°	120.0°
C2	C1	O5	H1	110.4°	120.0°
C2	C1	O1	H1	111.0°	120.0°
C2	C1	O1	C4A	139.4°	170.1°
C1	C2	C3	H3	79.7°	62.9°
C1	C2	N2	HN2	56.9°	94.7°
C6	C5	O5	H5	117.5°	120.0°
C6	C5	O5	C1	174.1°	178.8°
C5	C6	H61	H62	118.8°	120.0°
C6	C5	C4	H4	66.0°	57.8°
C5	C6	O6	HO6	180.0°	179.9°
C5	O5	C1	O1	94.4°	58.9°
O5	C5	C6	H61	179.4°	175.0°
O5	C5	C6	H62	61.4°	55.0°
O5	C5	C4	H4	52.9°	62.3°
C5	O5	C1	H1	154.2°	178.9°
O5	C1	O1	H1	111.2°	120.1°
O5	C1	O1	C4A	82.7°	70.0°
C1	O5	C5	H5	56.6°	58.9°
O5	C1	C2	H2	86.8°	62.3°
C1	O1	C4A	C5A	102.7°	180.0°
C1	O1	C4A	H2A	136.7°	60.0°
C1	O1	C4A	H3A	18.0°	60.0°
O1	C1	C2	H2	135.9°	177.7°
O1	C4A	C5A	H2A	120.7°	120.0°
O1	C4A	C5A	H3A	120.6°	120.0°
O1	C4A	C5A	C6A	151.0°	175.0°
O1	C4A	C5A	O2	87.3°	65.0°
O1	C4A	H2A	H3A	118.0°	120.0°
O1	C4A	C5A	H4A	31.5°	55.0°
C4A	O1	C1	H1	28.5°	50.1°
C4A	C5A	C6A	O2	121.2°	120.0°
C4A	C5A	C6A	H4A	119.5°	119.9°
C4A	C5A	O2	H4A	118.1°	120.0°
C4A	C5A	C6A	O3A	176.3°	175.0°
C5A	C4A	H2A	H3A	118.0°	120.0°
C4A	C5A	C6A	H5A	56.2°	55.1°
C4A	C5A	C6A	H6	63.6°	65.0°
C4A	C5A	O2	H21	180.0°	60.0°
C6A	C5A	O2	H4A	118.7°	120.1°
C5A	C6A	O3A	H5A	120.1°	120.0°
C5A	C6A	O3A	H6	120.1°	120.0°
C5A	C6A	O3A	H1A	180.0°	180.0°
C6A	C5A	C4A	H2A	88.4°	55.0°
C6A	C5A	C4A	H3A	30.4°	65.0°
C5A	C6A	H5A	H6	119.7°	120.1°
C6A	C5A	O2	H21	56.8°	60.0°
O2	C5A	C6A	O3A	55.1°	65.0°
O2	C5A	C4A	H2A	33.4°	175.0°
O2	C5A	C4A	H3A	152.1°	55.0°
O2	C5A	C6A	H5A	65.0°	175.0°
O2	C5A	C6A	H6	175.2°	55.0°
O3A	C6A	C5A	H4A	64.2°	55.0°
O3A	C6A	H5A	H6	119.7°	120.0°
H1A	O3A	C6A	H5A	59.9°	60.0°
H1A	O3A	C6A	H6	59.9°	60.0°
H2A	C4A	C5A	H4A	152.2°	65.0°
H3A	C4A	C5A	H4A	89.1°	175.0°
H4A	C5A	C6A	H5A	175.6°	64.9°
H4A	C5A	C6A	H6	55.9°	175.0°
H4A	C5A	O2	H21	61.9°	180.0°
H5	C5	C6	H61	62.4°	65.0°
H5	C5	C6	H62	56.8°	175.0°
H5	C5	C4	H4	172.2°	177.7°
H61	C6	O6	HO6	59.7°	60.0°
H62	C6	O6	HO6	59.6°	60.0°
H4	C4	C3	H3	178.2°	177.2°
H4	C4	O4	HO4	59.7°	59.9°
H3	C3	O3	HO3	62.4°	60.2°
H3	C3	C2	H2	162.8°	177.2°
H81	C8	H82	H83	120.0°	120.0°
HN2	N2	C2	H2	172.4°	145.2°
H2	C2	C1	H1	24.2°	57.7°

Release date:	2015-02-25
Definition date:	2014-12-10
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4X7R