W4Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C03	sing	1.53Å	1.51Å
C02	C01	sing	1.53Å	1.56Å
C02	O04	sing	1.43Å	1.42Å
O04	C05	sing	1.43Å	1.39Å
C05	C06	sing	1.53Å	1.50Å
C06	N07	sing	1.46Å	1.49Å
C17	C08	sing	1.40Å	1.38Å	Aromatic
C17	C16	doub	1.35Å	1.37Å	Aromatic
N07	C08	sing	1.39Å	1.48Å
N07	C13	sing	1.35Å	1.44Å
S14	C13	doub	1.71Å	1.60Å
C08	C09	doub	1.39Å	1.36Å	Aromatic
C16	N15	sing	1.36Å	1.31Å	Aromatic
C13	N12	sing	1.34Å	1.42Å
C09	N15	sing	1.38Å	1.34Å	Aromatic
C09	C10	sing	1.41Å	1.51Å
N12	C10	sing	1.35Å	1.40Å
C10	O11	doub	1.22Å	1.14Å
N12	H121	sing	0.97Å	1.00Å
C17	H171	sing	1.08Å	1.08Å
C01	H012	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C03	H033	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C05	H052	sing	1.09Å	1.10Å
C06	H061	sing	1.09Å	1.10Å
C06	H062	sing	1.09Å	1.10Å
C16	H161	sing	1.08Å	1.08Å
N15	H151	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C02	C01	115.1°	109.5°
C03	C02	O04	108.6°	109.5°
C03	C02	H021	107.0°	109.5°
C02	C03	H033	109.5°	109.5°
C02	C03	H032	109.5°	109.5°
C02	C03	H031	109.5°	109.5°
C01	C02	O04	111.2°	109.5°
C02	C01	H012	109.5°	109.5°
C02	C01	H013	109.5°	109.5°
C02	C01	H011	109.5°	109.5°
C01	C02	H021	106.5°	109.5°
C02	O04	C05	120.8°	114.0°
O04	C02	H021	108.2°	109.5°
O04	C05	C06	104.6°	109.5°
O04	C05	H051	110.7°	109.5°
O04	C05	H052	110.7°	109.5°
C05	C06	N07	115.1°	109.5°
C06	C05	H051	110.7°	109.5°
C06	C05	H052	110.6°	109.4°
C05	C06	H061	108.1°	109.5°
C05	C06	H062	108.0°	109.5°
C06	N07	C08	124.0°	120.0°
C06	N07	C13	118.6°	120.0°
N07	C06	H061	108.0°	109.4°
N07	C06	H062	108.0°	109.5°
C08	C17	C16	108.4°	107.9°
C17	C08	N07	130.9°	133.9°
C17	C08	C09	105.8°	107.0°
C08	C17	H171	125.8°	126.1°
C17	C16	N15	107.0°	109.2°
C16	C17	H171	125.8°	126.0°
C17	C16	H161	126.5°	125.5°
C08	N07	C13	117.1°	120.0°
N07	C08	C09	123.3°	119.1°
N07	C13	S14	121.8°	119.2°
N07	C13	N12	120.4°	121.6°
S14	C13	N12	117.8°	119.2°
C08	C09	N15	108.3°	107.3°
C08	C09	C10	118.2°	118.8°
C16	N15	C09	110.5°	108.6°
N15	C16	H161	126.5°	125.4°
C16	N15	H151	124.8°	125.7°
C13	N12	C10	122.0°	121.2°
C13	N12	H121	119.0°	119.4°
N15	C09	C10	133.5°	133.9°
C09	N15	H151	124.7°	125.7°
C09	C10	N12	119.0°	119.3°
C09	C10	O11	121.9°	120.3°
N12	C10	O11	119.1°	120.3°
C10	N12	H121	119.0°	119.4°
H012	C01	H013	109.4°	109.4°
H012	C01	H011	109.5°	109.4°
H013	C01	H011	109.5°	109.5°
H033	C03	H032	109.5°	109.5°
H033	C03	H031	109.4°	109.4°
H032	C03	H031	109.5°	109.4°
H051	C05	H052	109.5°	109.4°
H061	C06	H062	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C02	C01	O04	124.0°	120.0°
C03	C02	C01	H021	118.3°	120.0°
C03	C02	O04	H021	115.8°	120.0°
C03	C02	O04	C05	30.4°	150.0°
C03	C02	C01	H012	180.0°	60.0°
C03	C02	C01	H013	60.0°	180.0°
C03	C02	C01	H011	60.0°	60.0°
C02	C03	H033	H032	120.0°	120.1°
C02	C03	H033	H031	120.0°	120.0°
C02	C03	H032	H031	120.0°	120.0°
C01	C02	O04	H021	116.6°	120.0°
C01	C02	O04	C05	158.0°	90.0°
C02	C01	H012	H013	120.0°	120.0°
C02	C01	H012	H011	120.0°	120.0°
C02	C01	H013	H011	120.0°	120.0°
C01	C02	C03	H033	180.0°	60.0°
C01	C02	C03	H032	60.0°	180.0°
C01	C02	C03	H031	60.0°	60.0°
C02	O04	C05	C06	175.4°	180.0°
O04	C02	C01	H012	56.0°	180.0°
O04	C02	C01	H013	64.0°	60.0°
O04	C02	C01	H011	176.0°	60.0°
O04	C02	C03	H033	54.6°	60.0°
O04	C02	C03	H032	174.6°	60.0°
O04	C02	C03	H031	65.4°	180.0°
C02	O04	C05	H051	65.4°	60.0°
C02	O04	C05	H052	56.2°	60.0°
O04	C05	C06	H051	119.2°	120.0°
O04	C05	C06	H052	119.2°	120.0°
O04	C05	C06	N07	74.7°	65.0°
C05	O04	C02	H021	85.4°	30.0°
O04	C05	H051	H052	122.3°	120.0°
O04	C05	C06	H061	46.1°	175.0°
O04	C05	C06	H062	164.5°	55.0°
C05	C06	N07	H061	120.8°	120.0°
C05	C06	N07	H062	120.8°	120.0°
C05	C06	N07	C08	96.6°	90.0°
C05	C06	N07	C13	89.5°	90.3°
C06	C05	H051	H052	122.2°	119.9°
C05	C06	H061	H062	117.4°	120.0°
C06	N07	C08	C17	6.8°	0.1°
C06	N07	C08	C13	173.9°	179.7°
C06	N07	C13	S14	6.8°	0.0°
C06	N07	C08	C09	171.4°	179.9°
C06	N07	C13	N12	172.5°	180.0°
N07	C06	C05	H051	166.0°	175.0°
N07	C06	C05	H052	44.5°	55.0°
N07	C06	H061	H062	117.4°	119.9°
C08	C17	C16	H171	180.0°	179.9°
C17	C08	N07	C09	178.2°	179.8°
C17	C08	N07	C13	179.3°	179.8°
C08	C17	C16	N15	0.5°	0.0°
C17	C08	C09	N15	1.2°	0.1°
C17	C08	C09	C10	178.8°	180.0°
C08	C17	C16	H161	179.6°	180.0°
C16	C17	C08	N07	178.0°	179.9°
C16	C17	C08	C09	0.4°	0.1°
C17	C16	N15	H161	180.0°	179.9°
C17	C16	N15	C09	1.2°	0.0°
C17	C16	N15	H151	178.8°	180.0°
C08	N07	C13	S14	179.0°	179.7°
C08	N07	C13	N12	1.8°	0.3°
N07	C08	C09	N15	177.4°	180.0°
N07	C08	C09	C10	0.2°	0.1°
N07	C08	C17	H171	2.0°	0.1°
C08	N07	C06	H061	24.2°	30.0°
C08	N07	C06	H062	142.6°	149.9°
N07	C13	S14	N12	179.3°	180.0°
C13	N07	C08	C09	2.5°	0.4°
N07	C13	N12	C10	1.3°	0.0°
N07	C13	N12	H121	178.7°	180.0°
C13	N07	C06	H061	149.6°	149.7°
C13	N07	C06	H062	31.3°	29.8°
S14	C13	N12	C10	178.0°	180.0°
S14	C13	N12	H121	2.0°	0.0°
C08	C09	N15	C16	1.5°	0.1°
C08	C09	N15	C10	177.1°	179.9°
C08	C09	C10	N12	2.8°	0.2°
C08	C09	C10	O11	179.1°	179.9°
C09	C08	C17	H171	179.6°	180.0°
C08	C09	N15	H151	178.4°	179.9°
C16	N15	C09	H151	180.0°	180.0°
C16	N15	C09	C10	178.6°	180.0°
N15	C16	C17	H171	179.5°	180.0°
C13	N12	C10	C09	3.6°	0.3°
C13	N12	C10	H121	180.0°	180.0°
C13	N12	C10	O11	178.3°	180.0°
N15	C09	C10	N12	179.7°	179.7°
N15	C09	C10	O11	2.2°	0.0°
C09	N15	C16	H161	178.8°	179.9°
C09	C10	N12	O11	178.1°	179.7°
C09	C10	N12	H121	176.4°	179.8°
C10	C09	N15	H151	1.3°	0.0°
O11	C10	N12	H121	1.7°	0.1°
H171	C17	C16	H161	0.5°	0.1°
H012	C01	H013	H011	120.0°	119.9°
H012	C01	C02	H021	61.7°	60.0°
H013	C01	C02	H021	178.4°	60.0°
H011	C01	C02	H021	58.4°	180.0°
H021	C02	C03	H033	62.0°	180.0°
H021	C02	C03	H032	58.0°	60.0°
H021	C02	C03	H031	178.0°	60.0°
H033	C03	H032	H031	120.0°	119.9°
H051	C05	C06	H061	73.1°	55.0°
H051	C05	C06	H062	45.2°	65.0°
H052	C05	C06	H061	165.3°	65.0°
H052	C05	C06	H062	76.3°	175.0°
H161	C16	N15	H151	1.2°	0.1°

Release date:	2020-12-16
Definition date:	2020-09-29
Last modified:	2020-12-11
Release status:	REL
Processing site:	RCSB
Derived from:	5RS7