A1BFK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N02	C01	sing	1.47Å	1.47Å
C03	N02	sing	1.47Å	1.46Å
C04	N02	sing	1.39Å	1.46Å
N05	C04	doub	1.31Å	1.32Å	Aromatic
O06	N05	sing	1.21Å	1.36Å	Aromatic
C07	O06	sing	1.34Å	1.30Å	Aromatic
N08	C07	doub	1.31Å	1.35Å	Aromatic
C09	C07	sing	1.51Å	1.53Å
C10	C09	sing	1.53Å	1.49Å
C11	C10	sing	1.53Å	1.52Å
N12	C11	sing	1.47Å	1.50Å
C13	N12	sing	1.47Å	1.50Å
C14	C13	sing	1.53Å	1.52Å
C04	N08	sing	1.35Å	1.36Å	Aromatic
C09	C14	sing	1.53Å	1.50Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
N12	H121	sing	1.01Å	1.00Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C03	H033	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	N02	C03	120.6°	120.0°
C01	N02	C04	118.8°	120.0°
N02	C01	H011	109.5°	109.5°
N02	C01	H013	109.5°	109.5°
N02	C01	H012	109.5°	109.4°
C03	N02	C04	120.6°	120.0°
N02	C03	H033	109.5°	109.4°
N02	C03	H031	109.5°	109.5°
N02	C03	H032	109.4°	109.5°
N02	C04	N05	125.6°	126.4°
N02	C04	N08	126.7°	126.4°
C04	N05	O06	107.8°	110.1°
N05	C04	N08	107.8°	107.2°
N05	O06	C07	108.7°	109.9°
O06	C07	N08	108.5°	107.1°
O06	C07	C09	124.8°	126.4°
N08	C07	C09	126.6°	126.5°
C07	N08	C04	107.2°	105.6°
C07	C09	C10	108.1°	109.6°
C07	C09	C14	111.1°	109.5°
C07	C09	H091	109.0°	109.5°
C09	C10	C11	111.6°	109.3°
C10	C09	C14	109.3°	109.2°
C09	C10	H101	109.0°	109.5°
C09	C10	H102	108.9°	109.5°
C10	C09	H091	109.7°	109.5°
C10	C11	N12	114.0°	109.6°
C11	C10	H101	108.9°	109.5°
C11	C10	H102	109.0°	109.5°
C10	C11	H111	108.3°	109.5°
C10	C11	H112	108.3°	109.5°
C11	N12	C13	114.4°	111.2°
C11	N12	H121	108.2°	111.0°
N12	C11	H111	108.3°	109.4°
N12	C11	H112	108.3°	109.5°
N12	C13	C14	112.5°	109.5°
C13	N12	H121	108.2°	111.0°
N12	C13	H131	108.7°	109.4°
N12	C13	H132	108.7°	109.5°
C13	C14	C09	110.8°	109.3°
C14	C13	H131	108.7°	109.4°
C14	C13	H132	108.7°	109.5°
C13	C14	H141	109.1°	109.5°
C13	C14	H142	109.2°	109.5°
C14	C09	H091	109.6°	109.5°
C09	C14	H141	109.2°	109.5°
C09	C14	H142	109.1°	109.4°
H101	C10	H102	109.4°	109.5°
H131	C13	H132	109.4°	109.5°
H011	C01	H013	109.5°	109.5°
H011	C01	H012	109.5°	109.5°
H013	C01	H012	109.5°	109.5°
H033	C03	H031	109.4°	109.5°
H033	C03	H032	109.5°	109.5°
H031	C03	H032	109.4°	109.5°
H111	C11	H112	109.5°	109.4°
H141	C14	H142	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	N02	C03	C04	179.3°	179.9°
C01	N02	C04	N05	27.8°	0.3°
C01	N02	C04	N08	151.7°	180.0°
N02	C01	H011	H013	120.0°	120.0°
N02	C01	H011	H012	120.0°	120.0°
N02	C01	H013	H012	120.0°	120.0°
C01	N02	C03	H033	180.0°	90.0°
C01	N02	C03	H031	60.0°	30.0°
C01	N02	C03	H032	60.0°	150.0°
C03	N02	C04	N05	151.5°	179.7°
C03	N02	C04	N08	29.0°	0.0°
C03	N02	C01	H011	180.0°	0.0°
C03	N02	C01	H013	60.0°	120.0°
C03	N02	C01	H012	60.0°	120.0°
N02	C03	H033	H031	120.0°	120.0°
N02	C03	H033	H032	120.0°	120.0°
N02	C03	H031	H032	120.0°	120.0°
N02	C04	N05	N08	179.6°	179.7°
N02	C04	N05	O06	179.5°	180.0°
N02	C04	N08	C07	178.9°	180.0°
C04	N02	C01	H011	0.7°	180.0°
C04	N02	C01	H013	119.3°	60.0°
C04	N02	C01	H012	120.7°	60.0°
C04	N02	C03	H033	0.7°	90.0°
C04	N02	C03	H031	120.7°	150.0°
C04	N02	C03	H032	119.3°	30.0°
C04	N05	O06	C07	0.6°	0.2°
N05	C04	N08	C07	0.7°	0.2°
N05	O06	C07	N08	1.0°	0.0°
N05	O06	C07	C09	179.8°	179.9°
O06	N05	C04	N08	0.1°	0.3°
O06	C07	N08	C09	179.1°	179.9°
O06	C07	C09	C10	93.7°	60.0°
O06	C07	N08	C04	1.1°	0.1°
O06	C07	C09	C14	146.4°	59.8°
O06	C07	C09	H091	25.5°	179.9°
N08	C07	C09	C10	87.3°	119.9°
N08	C07	C09	C14	32.6°	120.3°
N08	C07	C09	H091	153.5°	0.2°
C07	C09	C10	C14	121.0°	120.0°
C07	C09	C10	H091	118.8°	120.1°
C07	C09	C10	C11	179.9°	177.5°
C07	C09	C14	C13	179.0°	177.6°
C09	C07	N08	C04	179.8°	179.8°
C07	C09	C14	H091	120.6°	120.1°
C07	C09	C10	H101	59.6°	62.5°
C07	C09	C10	H102	59.7°	57.6°
C07	C09	C14	H141	58.8°	62.4°
C07	C09	C14	H142	60.8°	57.7°
C09	C10	C11	H101	120.3°	120.0°
C09	C10	C11	H102	120.3°	119.9°
C09	C10	C11	N12	49.6°	59.1°
C10	C09	C14	C13	61.8°	57.6°
C10	C09	C14	H091	120.3°	119.9°
C09	C10	H101	H102	119.0°	120.1°
C09	C10	C11	H111	71.1°	60.9°
C09	C10	C11	H112	170.2°	179.2°
C10	C09	C14	H141	178.0°	177.6°
C10	C09	C14	H142	58.4°	62.3°
C10	C11	N12	H111	120.7°	120.1°
C10	C11	N12	H112	120.7°	120.1°
C10	C11	N12	C13	42.1°	61.7°
C11	C10	C09	C14	59.0°	57.6°
C11	C10	H101	H102	119.0°	120.1°
C10	C11	N12	H121	162.8°	174.2°
C11	C10	C09	H091	61.1°	62.3°
C10	C11	H111	H112	117.9°	120.0°
C11	N12	C13	H121	120.7°	124.1°
C11	N12	C13	C14	44.4°	61.7°
N12	C11	C10	H101	169.9°	179.1°
N12	C11	C10	H102	70.8°	60.8°
C11	N12	C13	H131	76.1°	58.3°
C11	N12	C13	H132	164.9°	178.3°
N12	C11	H111	H112	117.9°	119.9°
N12	C13	C14	H131	120.5°	120.0°
N12	C13	C14	H132	120.5°	120.0°
N12	C13	C14	C09	54.4°	59.1°
N12	C13	H131	H132	118.6°	120.0°
C13	N12	C11	H111	78.6°	58.3°
C13	N12	C11	H112	162.7°	178.2°
N12	C13	C14	H141	174.7°	179.1°
N12	C13	C14	H142	65.8°	60.7°
C13	C14	C09	H141	120.2°	120.0°
C13	C14	C09	H142	120.2°	119.9°
C14	C13	N12	H121	165.1°	174.2°
C14	C13	H131	H132	118.6°	120.0°
C13	C14	C09	H091	58.4°	62.3°
C13	C14	H141	H142	119.4°	120.1°
C14	C09	C10	H101	179.4°	177.6°
C14	C09	C10	H102	61.3°	62.3°
C09	C14	C13	H131	66.0°	60.8°
C09	C14	C13	H132	174.9°	179.1°
C09	C14	H141	H142	119.3°	120.0°
H101	C10	C09	H091	59.2°	57.7°
H101	C10	C11	H111	49.2°	59.1°
H101	C10	C11	H112	69.4°	60.8°
H102	C10	C09	H091	178.5°	177.8°
H102	C10	C11	H111	168.5°	179.2°
H102	C10	C11	H112	49.9°	59.3°
H121	N12	C13	H131	44.7°	65.8°
H121	N12	C13	H132	74.4°	54.2°
H121	N12	C11	H111	42.1°	65.8°
H121	N12	C11	H112	76.6°	54.1°
H131	C13	C14	H141	54.2°	59.1°
H131	C13	C14	H142	173.8°	179.3°
H132	C13	C14	H141	64.9°	60.9°
H132	C13	C14	H142	54.7°	59.3°
H011	C01	H013	H012	120.0°	120.1°
H033	C03	H031	H032	120.0°	120.1°
H091	C09	C14	H141	61.8°	57.7°
H091	C09	C14	H142	178.6°	177.8°

Release date:	2024-11-27
Definition date:	2024-11-04
Last modified:	2024-11-22
Release status:	REL
Processing site:	RCSB
Derived from:	7HMI