QAI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	S10	doub	1.42Å	1.47Å
O28	C26	doub	1.22Å	1.26Å
S10	N09	sing	1.66Å	1.72Å
S10	O24	doub	1.42Å	1.48Å
S10	C12	sing	1.76Å	1.81Å
N09	C08	sing	1.39Å	1.45Å
C26	O27	sing	1.35Å	1.27Å
C26	C25	sing	1.41Å	1.52Å
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C12	C23	sing	1.38Å	1.38Å	Aromatic
C14	C15	doub	1.39Å	1.38Å	Aromatic
C08	C25	doub	1.38Å	1.41Å	Aromatic
C08	C07	sing	1.38Å	1.42Å	Aromatic
C25	S29	sing	1.76Å	1.69Å	Aromatic
C23	C22	doub	1.38Å	1.38Å	Aromatic
C21	C20	doub	1.38Å	1.38Å	Aromatic
C21	C16	sing	1.39Å	1.38Å	Aromatic
C15	C22	sing	1.39Å	1.38Å	Aromatic
C15	C16	sing	1.48Å	1.52Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.39Å	1.38Å	Aromatic
C07	C06	doub	1.36Å	1.40Å	Aromatic
S29	C06	sing	1.76Å	1.69Å	Aromatic
C06	C05	sing	1.48Å	1.51Å
C19	C18	doub	1.38Å	1.38Å	Aromatic
C17	C18	sing	1.38Å	1.38Å	Aromatic
C05	C04	doub	1.40Å	1.37Å	Aromatic
C05	C30	sing	1.40Å	1.37Å	Aromatic
C04	C03	sing	1.38Å	1.37Å	Aromatic
C30	C31	doub	1.38Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.37Å	Aromatic
C31	C02	sing	1.39Å	1.38Å	Aromatic
C02	CL01	sing	1.74Å	1.76Å
C13	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C03	H6	sing	1.08Å	1.08Å
C04	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
C30	H13	sing	1.08Å	1.08Å
C31	H14	sing	1.08Å	1.08Å
N09	H15	sing	0.97Å	1.00Å
O27	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	S10	N09	107.8°	106.4°
O11	S10	O24	102.3°	123.2°
O11	S10	C12	109.9°	106.4°
O28	C26	O27	121.8°	120.0°
O28	C26	C25	119.0°	120.0°
N09	S10	O24	115.5°	106.4°
N09	S10	C12	109.2°	107.2°
S10	N09	C08	120.5°	120.0°
S10	N09	H15	106.7°	120.1°
O24	S10	C12	111.8°	106.4°
S10	C12	C13	118.6°	119.9°
S10	C12	C23	120.1°	119.9°
N09	C08	C25	124.7°	122.8°
N09	C08	C07	120.6°	122.8°
C08	N09	H15	106.6°	119.9°
O27	C26	C25	119.1°	120.0°
C26	O27	H16	109.5°	114.0°
C26	C25	C08	127.3°	125.2°
C26	C25	S29	126.2°	125.2°
C12	C13	C14	119.7°	120.1°
C13	C12	C23	121.4°	120.2°
C12	C13	H1	120.1°	119.9°
C13	C14	C15	118.8°	119.9°
C14	C13	H1	120.1°	119.9°
C13	C14	H9	120.6°	120.1°
C12	C23	C22	119.0°	120.1°
C12	C23	H12	120.5°	119.9°
C14	C15	C22	121.8°	119.7°
C14	C15	C16	118.6°	120.1°
C15	C14	H9	120.6°	120.0°
C25	C08	C07	114.7°	114.4°
C08	C25	S29	106.5°	109.6°
C08	C07	C06	112.5°	114.8°
C08	C07	H8	123.7°	122.6°
C25	S29	C06	97.9°	91.3°
C23	C22	C15	119.4°	119.9°
C23	C22	H5	120.3°	120.1°
C22	C23	H12	120.5°	119.9°
C20	C21	C16	119.6°	119.9°
C21	C20	C19	119.4°	120.1°
C21	C20	H3	120.3°	120.0°
C20	C21	H4	120.2°	120.0°
C21	C16	C15	119.6°	120.2°
C21	C16	C17	121.3°	119.7°
C16	C21	H4	120.2°	120.0°
C22	C15	C16	119.6°	120.1°
C15	C22	H5	120.3°	120.1°
C15	C16	C17	119.1°	120.1°
C20	C19	C18	120.4°	120.2°
C19	C20	H3	120.3°	119.9°
C20	C19	H11	119.8°	119.8°
C16	C17	C18	118.8°	119.8°
C16	C17	H2	120.6°	120.1°
C07	C06	S29	108.3°	109.9°
C07	C06	C05	123.1°	125.1°
C06	C07	H8	123.7°	122.6°
S29	C06	C05	128.6°	125.0°
C06	C05	C04	116.4°	120.2°
C06	C05	C30	121.3°	120.1°
C19	C18	C17	120.5°	120.2°
C19	C18	H10	119.8°	119.9°
C18	C19	H11	119.8°	119.9°
C18	C17	H2	120.6°	120.1°
C17	C18	H10	119.8°	119.9°
C04	C05	C30	122.3°	119.7°
C05	C04	C03	119.8°	119.9°
C05	C04	H7	120.1°	120.0°
C05	C30	C31	118.0°	119.9°
C05	C30	H13	121.0°	120.1°
C04	C03	C02	118.3°	120.1°
C04	C03	H6	120.8°	119.9°
C03	C04	H7	120.1°	120.1°
C30	C31	C02	119.6°	120.1°
C31	C30	H13	121.0°	120.1°
C30	C31	H14	120.2°	120.0°
C03	C02	C31	121.9°	120.3°
C03	C02	CL01	117.8°	119.9°
C02	C03	H6	120.8°	120.0°
C31	C02	CL01	120.4°	119.8°
C02	C31	H14	120.2°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	S10	N09	O24	113.6°	132.9°
O11	S10	N09	C12	119.3°	113.6°
O11	S10	O24	C12	117.5°	123.0°
O11	S10	N09	C08	151.1°	48.6°
O11	S10	C12	C13	57.4°	156.5°
O11	S10	C12	C23	122.1°	23.5°
O11	S10	N09	H15	29.5°	131.5°
O28	C26	O27	C25	180.0°	180.0°
O28	C26	C25	C08	5.6°	0.0°
O28	C26	C25	S29	174.6°	179.7°
O28	C26	O27	H16	0.0°	0.0°
N09	S10	O24	C12	125.7°	114.1°
S10	N09	C08	H15	121.6°	180.0°
N09	S10	C12	C13	60.7°	90.0°
N09	S10	C12	C23	119.8°	90.0°
S10	N09	C08	C25	111.2°	145.0°
S10	N09	C08	C07	68.6°	35.2°
O24	S10	N09	C08	95.3°	178.6°
O24	S10	C12	C13	170.2°	23.5°
O24	S10	C12	C23	9.3°	156.5°
O24	S10	N09	H15	143.2°	1.4°
C12	S10	N09	C08	31.8°	65.0°
S10	C12	C13	C23	179.5°	180.0°
S10	C12	C13	C14	179.7°	180.0°
S10	C12	C23	C22	179.8°	180.0°
S10	C12	C13	H1	0.4°	0.3°
S10	C12	C23	H12	0.3°	0.0°
C12	S10	N09	H15	89.8°	115.0°
N09	C08	C25	C26	0.0°	0.2°
N09	C08	C25	C07	179.8°	179.8°
N09	C08	C25	S29	179.8°	180.0°
N09	C08	C07	C06	179.8°	179.8°
N09	C08	C07	H8	0.2°	0.1°
O27	C26	C25	C08	174.4°	180.0°
O27	C26	C25	S29	5.4°	0.2°
C26	C25	C08	S29	179.9°	179.8°
C26	C25	C08	C07	179.8°	180.0°
C26	C25	S29	C06	179.8°	179.9°
C25	C26	O27	H16	179.9°	180.0°
C12	C13	C14	H1	180.0°	179.7°
C12	C13	C14	C15	0.1°	0.0°
C13	C12	C23	C22	0.3°	0.1°
C12	C13	C14	H9	179.9°	180.0°
C13	C12	C23	H12	179.7°	180.0°
C14	C13	C12	C23	0.2°	0.0°
C13	C14	C15	H9	180.0°	179.9°
C13	C14	C15	C22	0.3°	0.0°
C13	C14	C15	C16	179.8°	179.9°
C12	C23	C22	H12	180.0°	180.0°
C12	C23	C22	C15	0.1°	0.1°
C23	C12	C13	H1	179.8°	179.7°
C12	C23	C22	H5	179.9°	180.0°
C14	C15	C22	C23	0.2°	0.0°
C14	C15	C16	C21	24.7°	0.0°
C14	C15	C22	C16	179.9°	180.0°
C14	C15	C16	C17	154.7°	180.0°
C15	C14	C13	H1	179.9°	179.7°
C14	C15	C22	H5	179.8°	180.0°
C25	C08	C07	C06	0.0°	0.1°
C08	C25	S29	C06	0.1°	0.3°
C25	C08	C07	H8	180.0°	180.0°
C25	C08	N09	H15	10.3°	35.0°
C07	C08	C25	S29	0.0°	0.2°
C08	C07	C06	H8	180.0°	179.9°
C08	C07	C06	S29	0.1°	0.3°
C08	C07	C06	C05	179.4°	180.0°
C07	C08	N09	H15	169.9°	144.8°
C25	S29	C06	C07	0.1°	0.3°
C25	S29	C06	C05	179.4°	180.0°
C23	C22	C15	H5	180.0°	180.0°
C23	C22	C15	C16	179.9°	180.0°
C20	C21	C16	H4	180.0°	179.2°
C20	C21	C16	C15	179.9°	179.5°
C21	C20	C19	H3	180.0°	179.5°
C20	C21	C16	C17	0.6°	0.5°
C21	C20	C19	C18	0.4°	0.5°
C21	C20	C19	H11	179.7°	180.0°
C21	C16	C15	C22	155.2°	180.0°
C21	C16	C15	C17	179.4°	180.0°
C16	C21	C20	C19	0.6°	0.8°
C21	C16	C17	C18	0.2°	0.1°
C21	C16	C17	H2	179.8°	179.7°
C16	C21	C20	H3	179.4°	179.7°
C22	C15	C16	C17	25.4°	0.0°
C22	C15	C14	H9	179.7°	180.0°
C15	C22	C23	H12	179.9°	180.0°
C15	C16	C17	C18	179.5°	180.0°
C15	C16	C17	H2	0.4°	0.2°
C15	C16	C21	H4	0.1°	0.3°
C16	C15	C22	H5	0.1°	0.1°
C16	C15	C14	H9	0.2°	0.0°
C20	C19	C18	H11	180.0°	179.5°
C20	C19	C18	C17	0.0°	0.0°
C19	C20	C21	H4	179.4°	180.0°
C20	C19	C18	H10	180.0°	179.9°
C16	C17	C18	C19	0.1°	0.2°
C16	C17	C18	H2	180.0°	179.8°
C17	C16	C21	H4	179.5°	179.8°
C16	C17	C18	H10	179.9°	179.7°
C07	C06	S29	C05	179.3°	179.7°
C07	C06	C05	C04	2.2°	180.0°
C07	C06	C05	C30	177.4°	0.1°
S29	C06	C05	C04	178.6°	0.3°
S29	C06	C05	C30	1.8°	179.7°
S29	C06	C07	H8	179.9°	179.8°
C06	C05	C04	C30	179.6°	180.0°
C06	C05	C04	C03	180.0°	180.0°
C06	C05	C30	C31	180.0°	179.7°
C06	C05	C04	H7	0.0°	0.0°
C05	C06	C07	H8	0.6°	0.1°
C06	C05	C30	H13	0.0°	0.1°
C19	C18	C17	H10	180.0°	179.9°
C19	C18	C17	H2	179.9°	180.0°
C18	C19	C20	H3	179.6°	180.0°
C17	C18	C19	H11	180.0°	179.5°
C05	C04	C03	H7	180.0°	180.0°
C04	C05	C30	C31	0.5°	0.2°
C05	C04	C03	C02	0.4°	0.0°
C05	C04	C03	H6	179.6°	180.0°
C04	C05	C30	H13	179.6°	179.9°
C30	C05	C04	C03	0.3°	0.0°
C05	C30	C31	H13	180.0°	179.8°
C05	C30	C31	C02	0.6°	0.5°
C30	C05	C04	H7	179.6°	180.0°
C05	C30	C31	H14	179.4°	180.0°
C04	C03	C02	H6	180.0°	180.0°
C04	C03	C02	C31	0.5°	0.3°
C04	C03	C02	CL01	179.5°	180.0°
C30	C31	C02	C03	0.7°	0.5°
C30	C31	C02	H14	180.0°	179.5°
C30	C31	C02	CL01	179.6°	179.8°
C03	C02	C31	CL01	178.9°	179.7°
C02	C03	C04	H7	179.6°	180.0°
C03	C02	C31	H14	179.4°	180.0°
C31	C02	C03	H6	179.4°	179.7°
C02	C31	C30	H13	179.4°	179.6°
CL01	C02	C03	H6	0.5°	0.0°
CL01	C02	C31	H14	0.4°	0.3°
H1	C13	C14	H9	0.1°	0.2°
H2	C17	C18	H10	0.1°	0.1°
H3	C20	C21	H4	0.6°	0.5°
H3	C20	C19	H11	0.3°	0.5°
H5	C22	C23	H12	0.1°	0.0°
H6	C03	C04	H7	0.4°	0.0°
H10	C18	C19	H11	0.0°	0.6°
H13	C30	C31	H14	0.6°	0.2°

Release date:	2024-03-27
Definition date:	2023-03-29
Last modified:	2024-03-22
Release status:	REL
Processing site:	PDBJ
Derived from:	8IT5