A1E4Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N28	N29	doub	1.29Å	1.34Å	Aromatic
N28	N27	sing	1.41Å	1.36Å	Aromatic
N29	N30	sing	1.28Å	1.36Å	Aromatic
N27	C26	sing	1.36Å	1.35Å	Aromatic
O24	S10	doub	1.42Å	1.48Å
N30	C26	doub	1.32Å	1.35Å	Aromatic
C26	C25	sing	1.48Å	1.53Å
S10	N09	sing	1.66Å	1.73Å
S10	O11	doub	1.42Å	1.48Å
S10	C12	sing	1.76Å	1.81Å
N09	C08	sing	1.39Å	1.46Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C12	C23	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.39Å	1.39Å	Aromatic
C25	C08	doub	1.40Å	1.40Å	Aromatic
C25	C31	sing	1.40Å	1.39Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
C23	C22	doub	1.38Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.39Å	1.39Å	Aromatic
C15	C22	sing	1.39Å	1.38Å	Aromatic
C15	C16	sing	1.48Å	1.52Å
C31	C32	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C07	C06	doub	1.39Å	1.38Å	Aromatic
C16	C21	doub	1.39Å	1.38Å	Aromatic
C32	C06	sing	1.40Å	1.39Å	Aromatic
C06	C05	sing	1.48Å	1.53Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C21	C20	sing	1.38Å	1.39Å	Aromatic
C05	C04	doub	1.39Å	1.38Å	Aromatic
C05	C33	sing	1.39Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.38Å	Aromatic
C33	C34	doub	1.38Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.38Å	Aromatic
C34	C02	sing	1.38Å	1.39Å	Aromatic
C02	CL01	sing	1.74Å	1.78Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
C22	H221	sing	1.08Å	1.08Å
C23	H231	sing	1.08Å	1.08Å
C31	H311	sing	1.08Å	1.08Å
C32	H321	sing	1.08Å	1.08Å
C33	H331	sing	1.08Å	1.08Å
C34	H341	sing	1.08Å	1.08Å
N09	H091	sing	0.97Å	1.00Å
N27	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N29	N28	N27	108.3°	106.9°
N28	N29	N30	107.9°	110.5°
N28	N27	C26	107.7°	105.1°
N28	N27	H1	126.1°	127.5°
N29	N30	C26	107.9°	110.5°
N27	C26	N30	108.2°	106.9°
N27	C26	C25	126.8°	126.5°
C26	N27	H1	126.1°	127.4°
O24	S10	N09	110.2°	106.4°
O24	S10	O11	102.2°	123.2°
O24	S10	C12	111.7°	106.4°
N30	C26	C25	125.0°	126.6°
C26	C25	C08	121.5°	120.1°
C26	C25	C31	118.1°	120.1°
N09	S10	O11	115.1°	106.4°
N09	S10	C12	110.8°	107.2°
S10	N09	C08	120.6°	120.0°
S10	N09	H091	106.6°	120.0°
O11	S10	C12	106.5°	106.4°
S10	C12	C13	121.9°	119.8°
S10	C12	C23	117.4°	119.8°
N09	C08	C25	122.4°	120.1°
N09	C08	C07	118.3°	120.1°
C08	N09	H091	106.6°	120.0°
C12	C13	C14	119.1°	120.1°
C13	C12	C23	120.7°	120.3°
C12	C13	H131	120.5°	120.0°
C13	C14	C15	120.0°	119.9°
C14	C13	H131	120.5°	119.9°
C13	C14	H141	120.0°	120.0°
C12	C23	C22	120.1°	120.1°
C12	C23	H231	119.9°	120.0°
C14	C15	C22	120.7°	119.8°
C14	C15	C16	120.0°	120.1°
C15	C14	H141	120.0°	120.1°
C08	C25	C31	120.4°	119.9°
C25	C08	C07	119.3°	119.8°
C25	C31	C32	119.8°	120.1°
C25	C31	H311	120.1°	119.9°
C08	C07	C06	120.1°	119.9°
C08	C07	H071	119.9°	120.1°
C23	C22	C15	119.4°	119.9°
C23	C22	H221	120.3°	120.0°
C22	C23	H231	119.9°	120.0°
C18	C17	C16	119.8°	119.9°
C17	C18	C19	119.6°	120.1°
C18	C17	H171	120.1°	120.0°
C17	C18	H181	120.2°	119.9°
C17	C16	C15	121.0°	120.1°
C17	C16	C21	120.7°	119.8°
C16	C17	H171	120.1°	120.1°
C22	C15	C16	119.2°	120.1°
C15	C22	H221	120.3°	120.1°
C15	C16	C21	118.3°	120.1°
C31	C32	C06	119.8°	120.2°
C32	C31	H311	120.1°	120.0°
C31	C32	H321	120.1°	120.0°
C18	C19	C20	119.9°	120.3°
C19	C18	H181	120.1°	120.0°
C18	C19	H191	120.0°	119.8°
C07	C06	C32	120.6°	120.1°
C07	C06	C05	118.6°	119.9°
C06	C07	H071	119.9°	120.0°
C16	C21	C20	119.5°	119.9°
C16	C21	H211	120.2°	120.1°
C32	C06	C05	120.8°	119.9°
C06	C32	H321	120.1°	119.9°
C06	C05	C04	119.2°	120.1°
C06	C05	C33	120.1°	120.1°
C19	C20	C21	120.4°	120.1°
C20	C19	H191	120.1°	119.9°
C19	C20	H201	119.8°	119.9°
C21	C20	H201	119.8°	119.9°
C20	C21	H211	120.2°	120.1°
C04	C05	C33	120.6°	119.7°
C05	C04	C03	119.8°	119.9°
C05	C04	H041	120.1°	120.0°
C05	C33	C34	119.6°	119.9°
C05	C33	H331	120.2°	120.0°
C04	C03	C02	119.8°	120.1°
C04	C03	H031	120.1°	119.9°
C03	C04	H041	120.1°	120.1°
C33	C34	C02	119.8°	120.2°
C34	C33	H331	120.2°	120.1°
C33	C34	H341	120.1°	119.9°
C03	C02	C34	120.3°	120.2°
C03	C02	CL01	119.2°	119.9°
C02	C03	H031	120.1°	120.0°
C34	C02	CL01	120.4°	119.9°
C02	C34	H341	120.1°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N29	N28	N27	C26	0.8°	0.0°
N28	N29	N30	C26	0.8°	0.4°
N29	N28	N27	H1	179.2°	179.9°
N27	N28	N29	N30	0.0°	0.2°
N28	N27	C26	H1	180.0°	179.9°
N28	N27	C26	N30	1.3°	0.3°
N28	N27	C26	C25	178.5°	179.9°
N29	N30	C26	N27	1.3°	0.4°
N29	N30	C26	C25	178.6°	179.9°
N27	C26	N30	C25	177.3°	179.7°
N27	C26	C25	C08	0.8°	180.0°
N27	C26	C25	C31	179.0°	0.1°
O24	S10	N09	O11	114.9°	133.0°
O24	S10	N09	C12	124.2°	113.5°
O24	S10	O11	C12	117.3°	122.9°
O24	S10	N09	C08	153.6°	173.6°
O24	S10	C12	C13	73.4°	156.7°
O24	S10	C12	C23	106.3°	23.5°
O24	S10	N09	H091	32.1°	6.4°
N30	C26	C25	C08	176.0°	0.4°
N30	C26	C25	C31	2.2°	179.7°
N30	C26	N27	H1	178.7°	179.8°
C26	C25	C08	N09	2.2°	0.1°
C26	C25	C08	C31	178.1°	179.9°
C26	C25	C08	C07	179.1°	179.9°
C26	C25	C31	C32	178.7°	179.7°
C26	C25	C31	H311	1.3°	0.1°
C25	C26	N27	H1	1.5°	0.1°
N09	S10	O11	C12	123.2°	114.1°
S10	N09	C08	H091	121.5°	180.0°
N09	S10	C12	C13	49.9°	89.7°
N09	S10	C12	C23	130.4°	90.0°
S10	N09	C08	C25	108.7°	144.4°
S10	N09	C08	C07	70.1°	35.6°
O11	S10	N09	C08	91.5°	53.4°
O11	S10	C12	C13	175.8°	23.8°
O11	S10	C12	C23	4.5°	156.5°
O11	S10	N09	H091	147.0°	126.6°
C12	S10	N09	C08	29.5°	60.1°
S10	C12	C13	C23	179.7°	179.7°
S10	C12	C13	C14	179.7°	179.7°
S10	C12	C23	C22	179.6°	179.7°
S10	C12	C13	H131	0.3°	0.3°
S10	C12	C23	H231	0.3°	0.3°
C12	S10	N09	H091	92.1°	119.9°
N09	C08	C25	C07	178.8°	180.0°
N09	C08	C25	C31	179.7°	180.0°
N09	C08	C07	C06	179.4°	180.0°
N09	C08	C07	H071	0.6°	0.1°
C12	C13	C14	H131	180.0°	180.0°
C12	C13	C14	C15	0.9°	0.0°
C13	C12	C23	C22	0.1°	0.0°
C12	C13	C14	H141	179.1°	180.0°
C13	C12	C23	H231	180.0°	180.0°
C14	C13	C12	C23	0.0°	0.0°
C13	C14	C15	H141	180.0°	179.9°
C13	C14	C15	C22	1.8°	0.0°
C13	C14	C15	C16	179.1°	180.0°
C12	C23	C22	H231	180.0°	180.0°
C12	C23	C22	C15	0.7°	0.0°
C23	C12	C13	H131	180.0°	179.9°
C12	C23	C22	H221	179.3°	180.0°
C14	C15	C22	C23	1.7°	0.0°
C14	C15	C16	C17	40.5°	0.2°
C14	C15	C22	C16	177.3°	180.0°
C14	C15	C16	C21	139.1°	180.0°
C15	C14	C13	H131	179.1°	179.9°
C14	C15	C22	H221	178.3°	180.0°
C08	C25	C31	C32	0.5°	0.2°
C25	C08	C07	C06	0.6°	0.0°
C25	C08	C07	H071	179.4°	179.9°
C08	C25	C31	H311	179.5°	180.0°
C25	C08	N09	H091	12.8°	35.6°
C31	C25	C08	C07	0.9°	0.0°
C25	C31	C32	H311	180.0°	179.8°
C25	C31	C32	C06	0.2°	0.5°
C25	C31	C32	H321	179.8°	180.0°
C08	C07	C06	H071	180.0°	179.9°
C08	C07	C06	C32	0.2°	0.3°
C08	C07	C06	C05	179.4°	180.0°
C07	C08	N09	H091	168.4°	144.3°
C23	C22	C15	H221	180.0°	180.0°
C23	C22	C15	C16	179.0°	180.0°
C18	C17	C16	H171	180.0°	180.0°
C18	C17	C16	C15	179.1°	180.0°
C17	C18	C19	H181	180.0°	180.0°
C18	C17	C16	C21	0.5°	0.3°
C17	C18	C19	C20	0.2°	0.1°
C17	C18	C19	H191	179.7°	180.0°
C17	C16	C15	C22	142.2°	179.7°
C17	C16	C15	C21	179.6°	179.7°
C16	C17	C18	C19	0.3°	0.0°
C17	C16	C21	C20	0.6°	0.6°
C16	C17	C18	H181	179.7°	180.0°
C17	C16	C21	H211	179.4°	179.7°
C22	C15	C16	C21	38.2°	0.0°
C22	C15	C14	H141	178.2°	180.0°
C15	C22	C23	H231	179.2°	180.0°
C15	C16	C21	C20	179.0°	179.7°
C16	C15	C14	H141	0.9°	0.1°
C15	C16	C17	H171	0.9°	0.0°
C15	C16	C21	H211	1.0°	0.0°
C16	C15	C22	H221	1.0°	0.0°
C31	C32	C06	C07	0.6°	0.5°
C31	C32	C06	H321	180.0°	179.5°
C31	C32	C06	C05	179.8°	179.8°
C18	C19	C20	H191	180.0°	180.0°
C18	C19	C20	C21	0.3°	0.2°
C19	C18	C17	H171	179.7°	180.0°
C18	C19	C20	H201	179.7°	180.0°
C07	C06	C32	C05	179.3°	179.7°
C07	C06	C05	C04	5.7°	180.0°
C07	C06	C05	C33	173.0°	0.0°
C07	C06	C32	H321	179.4°	179.9°
C16	C21	C20	C19	0.4°	0.5°
C16	C21	C20	H211	180.0°	179.7°
C21	C16	C17	H171	179.5°	179.7°
C16	C21	C20	H201	179.6°	179.7°
C32	C06	C05	C04	175.0°	0.3°
C32	C06	C05	C33	6.3°	179.7°
C32	C06	C07	H071	179.9°	179.8°
C06	C32	C31	H311	179.8°	179.7°
C06	C05	C04	C33	178.7°	180.0°
C06	C05	C04	C03	179.2°	180.0°
C06	C05	C33	C34	179.6°	179.8°
C06	C05	C04	H041	0.8°	0.1°
C05	C06	C07	H071	0.6°	0.1°
C05	C06	C32	H321	0.2°	0.2°
C06	C05	C33	H331	0.4°	0.0°
C19	C20	C21	H201	180.0°	179.8°
C20	C19	C18	H181	179.8°	180.0°
C19	C20	C21	H211	179.6°	179.8°
C21	C20	C19	H191	179.7°	179.7°
C05	C04	C03	H041	180.0°	179.9°
C04	C05	C33	C34	0.9°	0.2°
C05	C04	C03	C02	0.1°	0.1°
C05	C04	C03	H031	179.8°	180.0°
C04	C05	C33	H331	179.1°	180.0°
C33	C05	C04	C03	0.5°	0.1°
C05	C33	C34	H331	180.0°	179.8°
C05	C33	C34	C02	0.6°	0.5°
C33	C05	C04	H041	179.5°	179.9°
C05	C33	C34	H341	179.4°	180.0°
C04	C03	C02	H031	180.0°	179.9°
C04	C03	C02	C34	0.4°	0.2°
C04	C03	C02	CL01	179.7°	179.9°
C33	C34	C02	C03	0.0°	0.5°
C33	C34	C02	H341	180.0°	179.6°
C33	C34	C02	CL01	179.9°	179.8°
C03	C02	C34	CL01	179.8°	179.7°
C02	C03	C04	H041	179.8°	179.9°
C03	C02	C34	H341	179.9°	180.0°
C34	C02	C03	H031	179.5°	179.7°
C02	C34	C33	H331	179.4°	179.7°
CL01	C02	C03	H031	0.3°	0.0°
CL01	C02	C34	H341	0.1°	0.2°
H031	C03	C04	H041	0.2°	0.1°
H131	C13	C14	H141	0.9°	0.0°
H171	C17	C18	H181	0.3°	0.0°
H181	C18	C19	H191	0.2°	0.0°
H191	C19	C20	H201	0.3°	0.1°
H201	C20	C21	H211	0.4°	0.0°
H221	C22	C23	H231	0.8°	0.0°
H311	C31	C32	H321	0.2°	0.2°
H331	C33	C34	H341	0.6°	0.2°

Release date:	2026-02-18
Definition date:	2026-02-01
Last modified:	2026-02-13
Release status:	REL
Processing site:	PDBC
Derived from:	22TN