9X0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C18	sing	1.53Å	1.46Å
C17	C16	sing	1.53Å	1.45Å
C18	C19	sing	1.53Å	1.53Å
C19	C20	sing	1.53Å	1.49Å
C15	C16	sing	1.53Å	1.52Å
C15	N14	sing	1.46Å	1.41Å
C16	C21	sing	1.53Å	1.51Å
O13	C01	doub	1.21Å	1.19Å
C21	C20	sing	1.53Å	1.48Å
C01	N14	sing	1.35Å	1.30Å
C01	C02	sing	1.48Å	1.40Å
C02	C03	doub	1.36Å	1.37Å
C02	O11	sing	1.34Å	1.33Å
C03	C04	sing	1.47Å	1.37Å
O11	C10	sing	1.35Å	1.31Å
C04	O12	doub	1.22Å	1.21Å
C04	C05	sing	1.48Å	1.37Å
C10	C05	doub	1.41Å	1.36Å	Aromatic
C10	C09	sing	1.39Å	1.37Å	Aromatic
C05	C06	sing	1.39Å	1.36Å	Aromatic
C09	C08	doub	1.38Å	1.36Å	Aromatic
C06	C07	doub	1.37Å	1.37Å	Aromatic
C08	C07	sing	1.39Å	1.37Å	Aromatic
C16	H1	sing	1.09Å	1.10Å
C15	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.09Å	1.10Å
C19	H8	sing	1.09Å	1.10Å
C19	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
N14	H14	sing	0.97Å	1.00Å
C09	H15	sing	1.08Å	1.08Å
C08	H16	sing	1.08Å	1.08Å
C07	H17	sing	1.08Å	1.08Å
C06	H18	sing	1.08Å	1.08Å
C03	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C17	C16	106.5°	109.5°
C17	C18	C19	110.2°	109.5°
C17	C18	H10	109.3°	109.5°
C17	C18	H11	109.3°	109.5°
C18	C17	H12	110.2°	109.5°
C18	C17	H13	110.2°	109.5°
C17	C16	C15	110.7°	109.5°
C17	C16	C21	108.3°	109.5°
C17	C16	H1	109.6°	109.4°
C16	C17	H12	110.2°	109.4°
C16	C17	H13	110.2°	109.5°
C18	C19	C20	107.2°	109.5°
C18	C19	H8	110.0°	109.4°
C18	C19	H9	110.0°	109.5°
C19	C18	H10	109.3°	109.5°
C19	C18	H11	109.3°	109.5°
C19	C20	C21	108.7°	109.5°
C19	C20	H6	109.7°	109.5°
C19	C20	H7	109.7°	109.4°
C20	C19	H8	110.1°	109.5°
C20	C19	H9	110.0°	109.5°
C16	C15	N14	105.4°	109.5°
C15	C16	C21	110.8°	109.5°
C15	C16	H1	108.6°	109.5°
C16	C15	H2	110.5°	109.4°
C16	C15	H3	110.5°	109.5°
C15	N14	C01	126.7°	120.0°
N14	C15	H2	110.5°	109.5°
N14	C15	H3	110.5°	109.5°
C15	N14	H14	116.7°	120.0°
C16	C21	C20	110.2°	109.4°
C21	C16	H1	108.8°	109.5°
C16	C21	H4	109.3°	109.5°
C16	C21	H5	109.3°	109.5°
O13	C01	N14	120.9°	120.0°
O13	C01	C02	120.7°	120.0°
C20	C21	H4	109.3°	109.5°
C20	C21	H5	109.3°	109.5°
C21	C20	H6	109.7°	109.5°
C21	C20	H7	109.7°	109.5°
N14	C01	C02	118.4°	120.0°
C01	N14	H14	116.6°	119.9°
C01	C02	C03	121.6°	118.6°
C01	C02	O11	119.1°	118.6°
C03	C02	O11	119.2°	122.8°
C02	C03	C04	119.7°	118.2°
C02	C03	H19	120.2°	120.9°
C02	O11	C10	122.9°	121.7°
C03	C04	O12	120.6°	122.0°
C03	C04	C05	118.2°	116.0°
C04	C03	H19	120.2°	120.9°
O11	C10	C05	119.1°	120.3°
O11	C10	C09	119.1°	120.7°
O12	C04	C05	121.2°	122.0°
C04	C05	C10	120.9°	118.0°
C04	C05	C06	121.3°	121.6°
C05	C10	C09	121.7°	119.0°
C10	C05	C06	117.8°	120.4°
C10	C09	C08	120.2°	119.8°
C10	C09	H15	119.9°	120.1°
C05	C06	C07	121.0°	119.6°
C05	C06	H18	119.5°	120.2°
C09	C08	C07	118.5°	120.8°
C08	C09	H15	119.9°	120.1°
C09	C08	H16	120.8°	119.6°
C06	C07	C08	120.7°	120.4°
C06	C07	H17	119.6°	119.8°
C07	C06	H18	119.5°	120.2°
C07	C08	H16	120.8°	119.6°
C08	C07	H17	119.6°	119.8°
H2	C15	H3	109.5°	109.5°
H4	C21	H5	109.5°	109.5°
H6	C20	H7	109.5°	109.5°
H8	C19	H9	109.5°	109.5°
H10	C18	H11	109.5°	109.5°
H12	C17	H13	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C17	C16	H12	119.6°	120.0°
C18	C17	C16	H13	119.5°	120.0°
C17	C18	C19	H10	120.1°	120.0°
C17	C18	C19	H11	120.1°	120.0°
C17	C18	C19	C20	62.3°	60.0°
C18	C17	C16	C15	173.7°	180.0°
C18	C17	C16	C21	64.6°	60.0°
C18	C17	C16	H1	54.0°	60.0°
C17	C18	C19	H8	57.4°	180.0°
C17	C18	C19	H9	178.0°	60.0°
C17	C18	H10	H11	119.7°	120.0°
C18	C17	H12	H13	121.4°	120.0°
C16	C17	C18	C19	65.8°	60.0°
C17	C16	C15	C21	120.2°	120.1°
C17	C16	C15	H1	120.3°	119.9°
C17	C16	C15	N14	173.9°	65.0°
C17	C16	C21	H1	119.1°	119.9°
C17	C16	C21	C20	63.3°	60.0°
C17	C16	C15	H2	66.7°	55.1°
C17	C16	C15	H3	54.6°	175.1°
C17	C16	C21	H4	176.6°	180.0°
C17	C16	C21	H5	56.8°	60.0°
C16	C17	C18	H10	174.1°	60.0°
C16	C17	C18	H11	54.3°	180.0°
C16	C17	H12	H13	121.4°	120.1°
C18	C19	C20	H8	119.7°	120.0°
C18	C19	C20	H9	119.6°	120.0°
C18	C19	C20	C21	57.7°	60.0°
C18	C19	C20	H6	177.6°	60.0°
C18	C19	C20	H7	62.2°	180.0°
C18	C19	H8	H9	121.0°	120.0°
C19	C18	H10	H11	119.6°	120.0°
C19	C18	C17	H12	174.7°	60.0°
C19	C18	C17	H13	53.8°	179.9°
C19	C20	C21	C16	59.6°	60.0°
C19	C20	C21	H6	119.9°	120.0°
C19	C20	C21	H7	119.9°	120.0°
C19	C20	C21	H4	179.7°	180.0°
C19	C20	C21	H5	60.5°	60.0°
C19	C20	H6	H7	120.4°	120.0°
C20	C19	H8	H9	121.1°	120.0°
C20	C19	C18	H10	177.6°	60.0°
C20	C19	C18	H11	57.8°	180.0°
C16	C15	N14	H2	119.4°	120.0°
C16	C15	N14	H3	119.4°	120.0°
C15	C16	C21	H1	119.3°	120.0°
C15	C16	C21	C20	175.1°	180.0°
C16	C15	N14	C01	120.3°	180.0°
C16	C15	H2	H3	121.9°	120.0°
C15	C16	C21	H4	55.0°	60.0°
C15	C16	C21	H5	64.8°	60.0°
C15	C16	C17	H12	54.2°	60.1°
C15	C16	C17	H13	66.7°	59.9°
C16	C15	N14	H14	59.7°	0.0°
N14	C15	C16	C21	53.7°	175.0°
C15	N14	C01	O13	0.4°	0.0°
C15	N14	C01	H14	180.0°	180.0°
C15	N14	C01	C02	179.8°	180.0°
N14	C15	C16	H1	65.7°	55.0°
N14	C15	H2	H3	121.9°	120.0°
C16	C21	C20	H4	120.1°	120.0°
C16	C21	C20	H5	120.1°	120.0°
C21	C16	C15	H2	173.1°	65.0°
C21	C16	C15	H3	65.6°	55.0°
C16	C21	H4	H5	119.7°	120.0°
C16	C21	C20	H6	179.5°	60.0°
C16	C21	C20	H7	60.3°	180.0°
C21	C16	C17	H12	175.9°	60.0°
C21	C16	C17	H13	55.0°	180.0°
O13	C01	N14	C02	179.4°	180.0°
O13	C01	C02	C03	0.8°	0.0°
O13	C01	C02	O11	176.9°	180.0°
O13	C01	N14	H14	179.5°	180.0°
C20	C21	C16	H1	55.8°	60.0°
C20	C21	H4	H5	119.7°	120.0°
C21	C20	H6	H7	120.4°	120.0°
C21	C20	C19	H8	61.9°	180.0°
C21	C20	C19	H9	177.4°	60.0°
N14	C01	C02	C03	179.8°	180.0°
N14	C01	C02	O11	3.7°	0.1°
C01	N14	C15	H2	120.4°	60.0°
C01	N14	C15	H3	0.9°	60.0°
C01	C02	C03	O11	176.1°	179.9°
C01	C02	C03	C04	176.6°	179.3°
C01	C02	O11	C10	175.2°	164.5°
C02	C01	N14	H14	0.2°	0.1°
C01	C02	C03	H19	3.4°	0.7°
C02	C03	C04	H19	180.0°	180.0°
C03	C02	O11	C10	1.0°	15.6°
C02	C03	C04	O12	179.3°	167.5°
C02	C03	C04	C05	0.2°	12.5°
O11	C02	C03	C04	0.5°	0.8°
C02	O11	C10	C05	2.8°	15.5°
C02	O11	C10	C09	179.6°	164.8°
O11	C02	C03	H19	179.5°	179.2°
C03	C04	O12	C05	179.0°	179.9°
C03	C04	C05	C10	1.5°	12.3°
C03	C04	C05	C06	179.2°	167.5°
O11	C10	C05	C04	3.0°	1.2°
O11	C10	C05	C09	177.5°	179.7°
O11	C10	C05	C06	179.3°	179.1°
O11	C10	C09	C08	179.8°	179.3°
O11	C10	C09	H15	0.2°	0.7°
O12	C04	C05	C10	177.5°	167.8°
O12	C04	C05	C06	0.1°	12.5°
O12	C04	C03	H19	0.7°	12.5°
C04	C05	C10	C06	177.7°	179.7°
C04	C05	C10	C09	179.5°	179.2°
C04	C05	C06	C07	178.4°	179.3°
C04	C05	C06	H18	1.6°	0.6°
C05	C04	C03	H19	179.8°	167.5°
C05	C10	C09	C08	2.2°	0.4°
C10	C05	C06	C07	0.7°	0.4°
C05	C10	C09	H15	177.8°	179.7°
C10	C05	C06	H18	179.3°	179.6°
C09	C10	C05	C06	1.7°	0.5°
C10	C09	C08	H15	180.0°	180.0°
C10	C09	C08	C07	1.6°	0.0°
C10	C09	C08	H16	178.4°	180.0°
C05	C06	C07	H18	180.0°	180.0°
C05	C06	C07	C08	0.2°	0.1°
C05	C06	C07	H17	179.8°	180.0°
C09	C08	C07	C06	0.6°	0.1°
C09	C08	C07	H16	180.0°	179.9°
C09	C08	C07	H17	179.4°	179.8°
C06	C07	C08	H17	180.0°	179.9°
C06	C07	C08	H16	179.4°	179.8°
C07	C08	C09	H15	178.4°	180.0°
C08	C07	C06	H18	179.8°	180.0°
H1	C16	C15	H2	53.6°	175.0°
H1	C16	C15	H3	174.9°	65.0°
H1	C16	C21	H4	64.3°	60.0°
H1	C16	C21	H5	175.9°	180.0°
H1	C16	C17	H12	65.6°	180.0°
H1	C16	C17	H13	173.5°	60.0°
H2	C15	N14	H14	59.6°	120.0°
H3	C15	N14	H14	179.1°	120.0°
H4	C21	C20	H6	60.4°	59.9°
H4	C21	C20	H7	59.8°	60.1°
H5	C21	C20	H6	59.4°	180.0°
H5	C21	C20	H7	179.6°	60.0°
H6	C20	C19	H8	57.9°	60.0°
H6	C20	C19	H9	62.8°	180.0°
H7	C20	C19	H8	178.2°	60.0°
H7	C20	C19	H9	57.5°	60.0°
H8	C19	C18	H10	62.8°	60.0°
H8	C19	C18	H11	177.5°	60.0°
H9	C19	C18	H10	57.9°	180.0°
H9	C19	C18	H11	61.8°	60.0°
H10	C18	C17	H12	54.6°	180.0°
H10	C18	C17	H13	66.3°	60.0°
H11	C18	C17	H12	65.2°	60.0°
H11	C18	C17	H13	173.9°	59.9°
H15	C09	C08	H16	1.6°	0.1°
H16	C08	C07	H17	0.6°	0.2°
H17	C07	C06	H18	0.2°	0.0°

Release date:	2019-03-13
Definition date:	2018-08-22
Last modified:	2019-03-08
Release status:	REL
Processing site:	RCSB
Derived from:	6AGT