JJT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O06	C05	doub	1.21Å	1.23Å
C05	N04	sing	1.35Å	1.29Å
C10	C03	sing	1.53Å	1.54Å
C10	C09	sing	1.53Å	1.52Å
C03	N04	sing	1.47Å	1.46Å
C03	C02	sing	1.51Å	1.52Å
N04	C07	sing	1.47Å	1.46Å
C09	C08	sing	1.51Å	1.53Å
C08	C07	sing	1.51Å	1.55Å
C08	N11	doub	1.28Å	1.25Å
C02	N12	sing	1.35Å	1.41Å
C02	O01	doub	1.21Å	1.21Å
N12	C13	sing	1.47Å	1.45Å
C15	C14	sing	1.53Å	1.52Å
C15	N16	sing	1.47Å	1.43Å
C14	C13	sing	1.53Å	1.51Å
C13	C18	sing	1.53Å	1.54Å
N16	C17	sing	1.47Å	1.43Å
C17	C18	sing	1.53Å	1.53Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C07	H071	sing	1.09Å	1.10Å
C09	H092	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
N11	H3	sing	0.97Å	1.00Å
N12	H121	sing	0.97Å	1.00Å
N16	H161	sing	1.01Å	1.00Å
C05	O1	sing	1.35Å	1.35Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O06	C05	N04	123.6°	120.0°
O06	C05	O1	121.7°	120.0°
C05	N04	C03	120.1°	120.7°
C05	N04	C07	122.7°	120.7°
N04	C05	O1	114.4°	120.0°
C03	C10	C09	114.7°	109.4°
C10	C03	N04	111.9°	109.3°
C10	C03	C02	110.6°	109.5°
C03	C10	H101	108.2°	109.5°
C03	C10	H102	108.1°	109.5°
C10	C03	H031	108.2°	109.5°
C10	C09	C08	114.0°	108.7°
C09	C10	H101	108.1°	109.4°
C09	C10	H102	108.1°	109.4°
C10	C09	H092	108.3°	109.6°
C10	C09	H091	108.4°	109.6°
N04	C03	C02	108.2°	109.6°
C03	N04	C07	117.2°	118.6°
N04	C03	H031	109.3°	109.5°
C03	C02	N12	114.8°	120.0°
C03	C02	O01	122.8°	119.9°
C02	C03	H031	108.5°	109.6°
N04	C07	C08	110.4°	107.7°
N04	C07	H072	109.2°	109.8°
N04	C07	H071	109.2°	109.9°
C09	C08	C07	120.4°	118.0°
C09	C08	N11	120.4°	121.0°
C08	C09	H092	108.3°	109.6°
C08	C09	H091	108.3°	109.5°
C07	C08	N11	119.1°	121.0°
C08	C07	H072	109.2°	109.9°
C08	C07	H071	109.2°	109.8°
C08	N11	H3	112.0°	120.0°
N12	C02	O01	122.4°	120.0°
C02	N12	C13	117.3°	120.0°
C02	N12	H121	121.3°	120.0°
N12	C13	C14	108.3°	109.5°
N12	C13	C18	111.3°	109.5°
N12	C13	H131	109.8°	109.6°
C13	N12	H121	121.3°	120.0°
C14	C15	N16	114.2°	109.6°
C15	C14	C13	110.3°	109.3°
C14	C15	H152	108.3°	109.5°
C14	C15	H151	108.3°	109.5°
C15	C14	H141	109.3°	109.5°
C15	C14	H142	109.3°	109.5°
C15	N16	C17	111.6°	111.2°
N16	C15	H152	108.3°	109.5°
N16	C15	H151	108.3°	109.4°
C15	N16	H161	108.9°	111.0°
C14	C13	C18	109.8°	109.2°
C13	C14	H141	109.3°	109.5°
C13	C14	H142	109.3°	109.6°
C14	C13	H131	109.0°	109.5°
C13	C18	C17	112.1°	109.2°
C13	C18	H182	108.8°	109.5°
C13	C18	H181	108.8°	109.6°
C18	C13	H131	108.7°	109.6°
N16	C17	C18	109.0°	109.6°
N16	C17	H171	109.6°	109.5°
N16	C17	H172	109.6°	109.5°
C17	N16	H161	108.9°	111.0°
C18	C17	H171	109.6°	109.4°
C18	C17	H172	109.6°	109.5°
C17	C18	H182	108.8°	109.5°
C17	C18	H181	108.8°	109.5°
H101	C10	H102	109.4°	109.5°
H152	C15	H151	109.5°	109.4°
H171	C17	H172	109.5°	109.4°
H182	C18	H181	109.4°	109.6°
H141	C14	H142	109.5°	109.5°
H072	C07	H071	109.5°	109.8°
H092	C09	H091	109.5°	109.7°
C05	O1	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O06	C05	N04	O1	172.9°	179.9°
O06	C05	N04	C03	5.5°	4.8°
O06	C05	N04	C07	170.9°	175.1°
O06	C05	O1	H1	0.0°	174.7°
C05	N04	C03	C10	118.6°	122.9°
C05	N04	C03	C07	176.6°	180.0°
C05	N04	C03	C02	119.3°	3.0°
C05	N04	C07	C08	127.4°	131.5°
C05	N04	C03	H031	1.3°	117.2°
C05	N04	C07	H072	7.3°	11.9°
C05	N04	C07	H071	112.4°	108.9°
N04	C05	O1	H1	173.1°	5.3°
C03	C10	C09	H101	120.8°	120.0°
C03	C10	C09	H102	120.8°	120.0°
C10	C03	N04	C02	122.1°	119.9°
C10	C03	N04	H031	119.9°	119.9°
C10	C03	C02	H031	118.6°	120.0°
C10	C03	N04	C07	58.0°	57.1°
C03	C10	C09	C08	34.2°	56.1°
C10	C03	C02	N12	48.0°	121.5°
C10	C03	C02	O01	131.2°	58.6°
C03	C10	H101	H102	117.6°	120.1°
C03	C10	C09	H092	86.5°	176.0°
C03	C10	C09	H091	154.8°	63.5°
C09	C10	C03	N04	48.5°	58.3°
C09	C10	C03	C02	72.2°	178.3°
C10	C09	C08	H092	120.7°	119.8°
C10	C09	C08	H091	120.7°	119.7°
C10	C09	C08	C07	28.1°	52.5°
C10	C09	C08	N11	156.0°	127.4°
C09	C10	H101	H102	117.6°	120.0°
C09	C10	C03	H031	169.1°	61.6°
C10	C09	H092	H091	118.0°	120.4°
N04	C03	C02	H031	118.5°	120.2°
C03	N04	C07	C08	49.1°	48.5°
N04	C03	C02	N12	170.9°	118.7°
N04	C03	C02	O01	8.3°	61.2°
N04	C03	C10	H101	169.3°	61.6°
N04	C03	C10	H102	72.3°	178.3°
C03	N04	C07	H072	169.2°	168.0°
C03	N04	C07	H071	71.1°	71.1°
C03	N04	C05	O1	167.5°	175.1°
C02	C03	N04	C07	64.1°	177.0°
C03	C02	N12	O01	179.2°	180.0°
C03	C02	N12	C13	179.2°	180.0°
C02	C03	C10	H101	48.6°	58.4°
C02	C03	C10	H102	167.0°	61.7°
C03	C02	N12	H121	0.8°	0.0°
N04	C07	C08	C09	33.8°	46.1°
N04	C07	C08	H072	120.1°	119.5°
N04	C07	C08	H071	120.2°	119.6°
N04	C07	C08	N11	150.3°	133.8°
C07	N04	C03	H031	177.9°	62.8°
N04	C07	H072	H071	119.6°	120.9°
C07	N04	C05	O1	16.2°	4.9°
C09	C08	C07	N11	175.9°	179.9°
C08	C09	C10	H101	155.0°	63.9°
C08	C09	C10	H102	86.6°	176.1°
C09	C08	C07	H072	153.9°	165.6°
C09	C08	C07	H071	86.4°	73.5°
C08	C09	H092	H091	117.9°	120.3°
C09	C08	N11	H3	175.9°	180.0°
C08	C07	H072	H071	119.6°	120.9°
C07	C08	C09	H092	92.5°	172.4°
C07	C08	C09	H091	148.8°	67.2°
C07	C08	N11	H3	0.0°	0.1°
N11	C08	C07	H072	30.2°	14.3°
N11	C08	C07	H071	89.5°	106.6°
N11	C08	C09	H092	83.3°	7.6°
N11	C08	C09	H091	35.3°	112.9°
C02	N12	C13	H121	180.0°	180.0°
C02	N12	C13	C14	158.7°	155.0°
C02	N12	C13	C18	80.6°	85.3°
N12	C02	C03	H031	70.6°	1.4°
C02	N12	C13	H131	39.8°	34.8°
O01	C02	N12	C13	1.6°	0.0°
O01	C02	C03	H031	110.2°	178.6°
O01	C02	N12	H121	178.4°	180.0°
N12	C13	C14	C15	72.5°	177.5°
N12	C13	C14	C18	121.7°	119.8°
N12	C13	C14	H131	119.5°	120.2°
N12	C13	C18	H131	121.0°	120.2°
N12	C13	C18	C17	66.8°	177.6°
N12	C13	C18	H182	53.6°	62.6°
N12	C13	C18	H181	172.8°	57.6°
N12	C13	C14	H141	47.6°	57.7°
N12	C13	C14	H142	167.3°	62.5°
C14	C15	N16	H152	120.7°	120.0°
C14	C15	N16	H151	120.7°	120.1°
C15	C14	C13	H141	120.1°	119.9°
C15	C14	C13	H142	120.1°	120.0°
C15	C14	C13	C18	49.1°	57.7°
C14	C15	N16	C17	59.6°	61.7°
C14	C15	H152	H151	117.8°	120.0°
C15	C14	H141	H142	119.6°	120.1°
C15	C14	C13	H131	168.0°	62.3°
C14	C15	N16	H161	60.7°	174.2°
N16	C15	C14	C13	53.6°	59.2°
C15	N16	C17	H161	120.3°	124.1°
C15	N16	C17	C18	59.7°	61.7°
N16	C15	H152	H151	117.9°	119.9°
C15	N16	C17	H171	179.6°	178.3°
C15	N16	C17	H172	60.2°	58.3°
N16	C15	C14	H141	173.7°	60.7°
N16	C15	C14	H142	66.5°	179.2°
C14	C13	C18	H131	119.1°	120.0°
C14	C13	C18	C17	53.0°	57.7°
C13	C14	C15	H152	174.3°	60.9°
C13	C14	C15	H151	67.1°	179.2°
C14	C13	C18	H182	173.5°	177.6°
C14	C13	C18	H181	67.4°	62.2°
C13	C14	H141	H142	119.6°	120.2°
C14	C13	N12	H121	21.3°	25.0°
C13	C18	C17	N16	57.7°	59.2°
C13	C18	C17	H182	120.4°	119.9°
C13	C18	C17	H181	120.4°	120.0°
C13	C18	C17	H171	177.6°	179.3°
C13	C18	C17	H172	62.3°	60.8°
C13	C18	H182	H181	118.8°	120.2°
C18	C13	C14	H141	169.2°	62.2°
C18	C13	C14	H142	71.0°	177.6°
C18	C13	N12	H121	99.4°	94.7°
N16	C17	C18	H171	119.9°	120.1°
N16	C17	C18	H172	119.9°	120.0°
C17	N16	C15	H152	179.7°	58.3°
C17	N16	C15	H151	61.1°	178.2°
N16	C17	H171	H172	120.2°	120.0°
N16	C17	C18	H182	178.1°	179.1°
N16	C17	C18	H181	62.7°	60.8°
C18	C17	H171	H172	120.2°	119.9°
C17	C18	H182	H181	118.8°	120.1°
C17	C18	C13	H131	172.1°	62.3°
C18	C17	N16	H161	60.6°	174.2°
H101	C10	C03	H031	70.1°	178.5°
H101	C10	C09	H092	34.3°	56.0°
H101	C10	C09	H091	84.4°	176.5°
H102	C10	C03	H031	48.3°	58.4°
H102	C10	C09	H092	152.7°	64.1°
H102	C10	C09	H091	34.1°	56.5°
H152	C15	C14	H141	65.6°	179.2°
H152	C15	C14	H142	54.2°	59.1°
H152	C15	N16	H161	60.0°	65.7°
H151	C15	C14	H141	53.0°	59.3°
H151	C15	C14	H142	172.8°	60.8°
H151	C15	N16	H161	178.6°	54.1°
H171	C17	C18	H182	62.0°	60.8°
H171	C17	C18	H181	57.2°	59.3°
H171	C17	N16	H161	59.3°	54.2°
H172	C17	C18	H182	58.2°	59.1°
H172	C17	C18	H181	177.3°	179.2°
H172	C17	N16	H161	179.5°	65.8°
H182	C18	C13	H131	67.4°	57.6°
H181	C18	C13	H131	51.7°	177.8°
H141	C14	C13	H131	71.9°	177.8°
H142	C14	C13	H131	47.9°	57.7°
H131	C13	N12	H121	140.2°	145.2°

Release date:	2019-08-21
Definition date:	2019-03-06
Last modified:	2019-08-16
Release status:	REL
Processing site:	RCSB
Derived from:	6QWA