Y5J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	C16	sing	1.43Å	1.40Å
O15	C14	sing	1.36Å	1.40Å
C17	C14	doub	1.39Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.42Å	Aromatic
C14	C13	sing	1.39Å	1.40Å	Aromatic
N19	C18	sing	1.40Å	1.49Å
N19	C20	sing	1.35Å	1.45Å
C18	C11	doub	1.40Å	1.38Å	Aromatic
C13	C12	doub	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.42Å	Aromatic
C11	N10	sing	1.40Å	1.46Å
C20	O22	doub	1.21Å	1.18Å
C20	C21	sing	1.51Å	1.56Å
O06	C07	sing	1.34Å	1.32Å	Aromatic
O06	C05	sing	1.35Å	1.36Å	Aromatic
C07	C08	doub	1.34Å	1.39Å	Aromatic
N10	C21	sing	1.47Å	1.42Å
N10	C09	sing	1.39Å	1.45Å
C05	C09	doub	1.40Å	1.42Å	Aromatic
C05	C04	sing	1.40Å	1.38Å	Aromatic
C09	N23	sing	1.33Å	1.33Å	Aromatic
C08	C04	sing	1.46Å	1.45Å	Aromatic
C04	N03	doub	1.33Å	1.35Å	Aromatic
N23	C02	doub	1.32Å	1.33Å	Aromatic
N03	C02	sing	1.32Å	1.33Å	Aromatic
C02	CL01	sing	1.74Å	1.78Å
C07	H1	sing	1.08Å	1.08Å
C08	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.09Å	1.10Å
C21	H10	sing	1.09Å	1.10Å
N19	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	O15	C14	114.6°	117.0°
O15	C16	H5	109.5°	109.5°
O15	C16	H6	109.5°	109.4°
O15	C16	H7	109.5°	109.4°
O15	C14	C17	119.7°	119.9°
O15	C14	C13	120.4°	119.9°
C14	C17	C18	120.2°	119.8°
C17	C14	C13	119.8°	120.3°
C14	C17	H8	119.9°	120.1°
C17	C18	N19	120.1°	120.7°
C17	C18	C11	120.0°	119.7°
C18	C17	H8	119.9°	120.1°
C14	C13	C12	120.0°	120.1°
C14	C13	H4	120.0°	120.0°
C18	N19	C20	120.4°	120.7°
N19	C18	C11	120.0°	119.5°
C18	N19	H11	119.8°	119.6°
N19	C20	O22	123.2°	119.6°
N19	C20	C21	114.1°	120.8°
C20	N19	H11	119.8°	119.6°
C18	C11	C12	120.0°	120.3°
C18	C11	N10	117.8°	118.7°
C13	C12	C11	120.0°	119.8°
C13	C12	H3	120.0°	120.1°
C12	C13	H4	120.0°	119.9°
C12	C11	N10	122.3°	121.0°
C11	C12	H3	120.0°	120.1°
C11	N10	C21	117.4°	117.9°
C11	N10	C09	123.4°	121.1°
O22	C20	C21	122.7°	119.6°
C20	C21	N10	113.4°	109.1°
C20	C21	H9	108.5°	109.5°
C20	C21	H10	108.5°	109.6°
C07	O06	C05	111.4°	110.8°
O06	C07	C08	107.5°	110.1°
O06	C07	H1	126.2°	125.0°
O06	C05	C09	131.3°	134.5°
O06	C05	C04	108.9°	107.5°
C07	C08	C04	107.8°	106.2°
C08	C07	H1	126.2°	124.9°
C07	C08	H2	126.1°	126.9°
C21	N10	C09	119.2°	121.1°
N10	C21	H9	108.5°	109.6°
N10	C21	H10	108.5°	109.6°
N10	C09	C05	122.9°	120.7°
N10	C09	N23	119.3°	120.7°
C09	C05	C04	119.8°	118.0°
C05	C09	N23	117.9°	118.6°
C05	C04	C08	104.4°	105.4°
C05	C04	N03	118.4°	119.5°
C09	N23	C02	120.9°	121.4°
C08	C04	N03	137.2°	135.1°
C04	C08	H2	126.1°	126.9°
C04	N03	C02	120.2°	120.4°
N23	C02	N03	122.9°	122.2°
N23	C02	CL01	118.1°	118.9°
N03	C02	CL01	119.0°	118.9°
H5	C16	H6	109.5°	109.5°
H5	C16	H7	109.5°	109.5°
H6	C16	H7	109.5°	109.5°
H9	C21	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	O15	C14	C17	155.0°	180.0°
C16	O15	C14	C13	25.3°	0.0°
O15	C16	H5	H6	120.0°	120.0°
O15	C16	H5	H7	120.0°	120.0°
O15	C16	H6	H7	120.0°	120.0°
O15	C14	C17	C13	179.7°	180.0°
O15	C14	C17	C18	180.0°	180.0°
O15	C14	C13	C12	179.9°	179.9°
O15	C14	C13	H4	0.1°	0.1°
C14	O15	C16	H5	180.0°	60.0°
C14	O15	C16	H6	60.0°	60.0°
C14	O15	C16	H7	60.0°	180.0°
O15	C14	C17	H8	0.0°	0.1°
C14	C17	C18	H8	180.0°	179.9°
C14	C17	C18	N19	179.7°	179.5°
C14	C17	C18	C11	0.2°	0.1°
C17	C14	C13	C12	0.4°	0.1°
C17	C14	C13	H4	179.6°	179.9°
C18	C17	C14	C13	0.3°	0.0°
C17	C18	N19	C11	180.0°	179.6°
C17	C18	N19	C20	163.5°	166.0°
C17	C18	C11	C12	0.3°	0.2°
C17	C18	C11	N10	180.0°	179.7°
C17	C18	N19	H11	16.5°	14.0°
C14	C13	C12	H4	180.0°	180.0°
C14	C13	C12	C11	0.4°	0.0°
C14	C13	C12	H3	179.6°	179.9°
C13	C14	C17	H8	179.7°	179.9°
C18	N19	C20	H11	180.0°	180.0°
N19	C18	C11	C12	179.7°	179.5°
N19	C18	C11	N10	0.0°	0.7°
C18	N19	C20	O22	180.0°	177.5°
C18	N19	C20	C21	0.6°	2.1°
N19	C18	C17	H8	0.3°	0.6°
C20	N19	C18	C11	16.5°	14.4°
N19	C20	O22	C21	179.3°	179.6°
N19	C20	C21	N10	30.6°	28.8°
N19	C20	C21	H9	151.2°	91.1°
N19	C20	C21	H10	90.0°	148.8°
C18	C11	C12	C13	0.4°	0.1°
C18	C11	C12	N10	179.7°	179.8°
C18	C11	N10	C21	33.9°	29.1°
C18	C11	N10	C09	145.2°	150.9°
C18	C11	C12	H3	179.6°	180.0°
C11	C18	C17	H8	179.8°	179.8°
C11	C18	N19	H11	163.5°	165.6°
C13	C12	C11	H3	180.0°	179.9°
C13	C12	C11	N10	179.9°	179.7°
C12	C11	N10	C21	145.8°	150.7°
C12	C11	N10	C09	35.1°	29.3°
C11	C12	C13	H4	179.5°	180.0°
C11	N10	C21	C20	48.9°	41.8°
C11	N10	C21	C09	179.1°	180.0°
C11	N10	C09	C05	32.8°	180.0°
C11	N10	C09	N23	148.7°	0.3°
N10	C11	C12	H3	0.1°	0.2°
C11	N10	C21	H9	169.4°	78.0°
C11	N10	C21	H10	71.7°	161.8°
O22	C20	C21	N10	148.7°	150.8°
O22	C20	C21	H9	28.1°	89.3°
O22	C20	C21	H10	90.7°	30.8°
O22	C20	N19	H11	0.0°	2.5°
C20	C21	N10	H9	120.6°	119.8°
C20	C21	N10	H10	120.6°	120.0°
C20	C21	N10	C09	130.3°	138.2°
C20	C21	H9	H10	118.2°	120.2°
C21	C20	N19	H11	179.4°	177.9°
O06	C07	C08	H1	180.0°	179.9°
C07	O06	C05	C09	179.4°	179.7°
C07	O06	C05	C04	0.1°	0.2°
O06	C07	C08	C04	0.1°	0.1°
O06	C07	C08	H2	179.9°	180.0°
C05	O06	C07	C08	0.0°	0.2°
O06	C05	C09	N10	1.3°	0.2°
O06	C05	C09	C04	179.3°	179.8°
O06	C05	C09	N23	179.8°	179.9°
O06	C05	C04	C08	0.1°	0.1°
O06	C05	C04	N03	180.0°	179.9°
C05	O06	C07	H1	180.0°	179.9°
C07	C08	C04	C05	0.1°	0.0°
C07	C08	C04	H2	180.0°	179.9°
C07	C08	C04	N03	180.0°	180.0°
C21	N10	C09	C05	146.3°	0.0°
C21	N10	C09	N23	32.2°	179.7°
N10	C21	H9	H10	118.2°	120.2°
N10	C09	C05	N23	178.5°	179.7°
N10	C09	C05	C04	179.5°	180.0°
N10	C09	N23	C02	179.4°	179.8°
C09	N10	C21	H9	9.7°	101.9°
C09	N10	C21	H10	109.2°	18.3°
C09	C05	C04	C08	179.5°	179.8°
C09	C05	C04	N03	0.6°	0.3°
C05	C09	N23	C02	0.9°	0.0°
C04	C05	C09	N23	1.0°	0.3°
C05	C04	C08	N03	179.9°	180.0°
C05	C04	N03	C02	0.1°	0.0°
C05	C04	C08	H2	179.9°	179.9°
C09	N23	C02	N03	0.4°	0.2°
C09	N23	C02	CL01	179.6°	180.0°
C08	C04	N03	C02	179.9°	180.0°
C04	C08	C07	H1	179.9°	179.9°
C04	N03	C02	N23	0.1°	0.3°
C04	N03	C02	CL01	180.0°	180.0°
N03	C04	C08	H2	0.0°	0.1°
N23	C02	N03	CL01	179.9°	179.7°
H1	C07	C08	H2	0.1°	0.0°
H3	C12	C13	H4	0.4°	0.1°
H5	C16	H6	H7	120.0°	120.0°

Release date:	2021-09-22
Definition date:	2020-05-20
Last modified:	2021-09-17
Release status:	REL
Processing site:	RCSB
Derived from:	6X1C