A9Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	O19	sing	1.43Å	1.43Å
O19	C14	sing	1.36Å	1.38Å
C15	C14	doub	1.39Å	1.40Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C14	C12	sing	1.39Å	1.40Å	Aromatic
C16	C17	doub	1.39Å	1.40Å	Aromatic
C12	C11	sing	1.51Å	1.50Å
C12	C13	doub	1.38Å	1.39Å	Aromatic
C11	N9	sing	1.47Å	1.47Å
C17	C13	sing	1.39Å	1.39Å	Aromatic
C17	O18	sing	1.36Å	1.38Å
C20	O18	sing	1.43Å	1.42Å
N9	C10	sing	1.47Å	1.48Å
N9	C8	sing	1.34Å	1.38Å
O29	C8	doub	1.22Å	1.25Å
C10	C5	sing	1.51Å	1.50Å
C8	N7	sing	1.34Å	1.42Å
N7	C4	sing	1.40Å	1.45Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.39Å	1.40Å	Aromatic
C6	C1	doub	1.39Å	1.41Å	Aromatic
C3	C2	doub	1.38Å	1.40Å	Aromatic
C28	O22	sing	1.43Å	1.43Å
C1	C2	sing	1.39Å	1.41Å	Aromatic
C1	O22	sing	1.36Å	1.39Å
C2	O23	sing	1.36Å	1.40Å
O23	S24	sing	1.52Å	1.65Å
O27	S24	doub	1.42Å	1.47Å
S24	N25	sing	1.66Å	1.69Å
S24	O26	doub	1.42Å	1.47Å
C6	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å
C21	H14	sing	1.09Å	1.10Å
C21	H15	sing	1.09Å	1.10Å
C28	H16	sing	1.09Å	1.10Å
C28	H17	sing	1.09Å	1.10Å
C28	H18	sing	1.09Å	1.10Å
N25	H19	sing	0.97Å	1.00Å
N25	H20	sing	0.97Å	1.00Å
N7	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	O19	C14	116.6°	117.0°
O19	C21	H13	109.5°	109.5°
O19	C21	H14	109.5°	109.4°
O19	C21	H15	109.5°	109.5°
O19	C14	C15	119.7°	120.0°
O19	C14	C12	118.9°	120.0°
C14	C15	C16	119.1°	120.0°
C15	C14	C12	121.4°	120.0°
C14	C15	H8	120.4°	120.0°
C15	C16	C17	119.6°	119.9°
C16	C15	H8	120.5°	120.0°
C15	C16	H9	120.2°	120.0°
C14	C12	C11	121.2°	120.0°
C14	C12	C13	119.1°	120.0°
C16	C17	C13	121.2°	120.0°
C16	C17	O18	121.5°	119.9°
C17	C16	H9	120.2°	120.0°
C11	C12	C13	119.7°	120.0°
C12	C11	N9	110.5°	109.5°
C12	C11	H2	109.2°	109.5°
C12	C11	H3	109.2°	109.5°
C12	C13	C17	119.7°	120.0°
C12	C13	H6	120.2°	120.0°
C11	N9	C10	119.4°	120.4°
C11	N9	C8	115.3°	120.4°
N9	C11	H2	109.2°	109.5°
N9	C11	H3	109.2°	109.4°
C13	C17	O18	117.4°	120.0°
C17	C13	H6	120.2°	120.0°
C17	O18	C20	116.3°	117.0°
O18	C20	H10	109.5°	109.4°
O18	C20	H11	109.5°	109.5°
O18	C20	H12	109.5°	109.5°
C10	N9	C8	125.2°	119.2°
N9	C10	C5	113.3°	116.9°
N9	C10	H4	108.5°	107.9°
N9	C10	H5	108.5°	107.9°
N9	C8	O29	119.6°	118.5°
N9	C8	N7	118.4°	123.0°
O29	C8	N7	121.9°	118.5°
C10	C5	C4	121.2°	118.0°
C10	C5	C6	120.5°	121.2°
C5	C10	H4	108.5°	108.0°
C5	C10	H5	108.5°	108.0°
C8	N7	C4	121.0°	123.0°
C8	N7	H21	119.5°	118.5°
N7	C4	C5	120.1°	119.8°
N7	C4	C3	118.9°	120.6°
C4	N7	H21	119.5°	118.5°
C4	C5	C6	118.3°	120.8°
C5	C4	C3	121.0°	119.6°
C5	C6	C1	121.1°	119.7°
C5	C6	H1	119.5°	120.1°
C4	C3	C2	120.7°	119.8°
C4	C3	H7	119.6°	120.1°
C6	C1	C2	120.0°	119.9°
C6	C1	O22	118.7°	120.1°
C1	C6	H1	119.4°	120.1°
C3	C2	C1	118.9°	120.2°
C3	C2	O23	116.8°	119.9°
C2	C3	H7	119.6°	120.1°
C28	O22	C1	116.9°	117.0°
O22	C28	H16	109.5°	109.4°
O22	C28	H17	109.5°	109.5°
O22	C28	H18	109.5°	109.4°
C2	C1	O22	121.3°	120.1°
C1	C2	O23	124.3°	119.9°
C2	O23	S24	128.1°	114.0°
O23	S24	O27	109.2°	106.4°
O23	S24	N25	107.3°	107.2°
O23	S24	O26	110.3°	106.4°
O27	S24	N25	110.3°	106.4°
O27	S24	O26	112.9°	123.1°
N25	S24	O26	106.6°	106.4°
S24	N25	H19	109.5°	120.0°
S24	N25	H20	109.5°	120.0°
H2	C11	H3	109.4°	109.5°
H4	C10	H5	109.5°	107.8°
H10	C20	H11	109.5°	109.5°
H10	C20	H12	109.4°	109.5°
H11	C20	H12	109.5°	109.5°
H13	C21	H14	109.5°	109.4°
H13	C21	H15	109.5°	109.5°
H14	C21	H15	109.5°	109.5°
H16	C28	H17	109.5°	109.5°
H16	C28	H18	109.5°	109.4°
H17	C28	H18	109.5°	109.5°
H19	N25	H20	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	O19	C14	C15	42.6°	0.2°
C21	O19	C14	C12	136.6°	180.0°
O19	C21	H13	H14	120.0°	119.9°
O19	C21	H13	H15	120.0°	120.0°
O19	C21	H14	H15	120.0°	120.0°
O19	C14	C15	C12	179.2°	179.7°
O19	C14	C15	C16	179.3°	179.7°
O19	C14	C12	C11	1.2°	0.3°
O19	C14	C12	C13	179.4°	179.8°
O19	C14	C15	H8	0.8°	0.2°
C14	O19	C21	H13	180.0°	180.0°
C14	O19	C21	H14	60.0°	60.0°
C14	O19	C21	H15	60.0°	60.0°
C14	C15	C16	H8	180.0°	179.9°
C14	C15	C16	C17	0.1°	0.1°
C15	C14	C12	C11	179.6°	180.0°
C15	C14	C12	C13	0.2°	0.0°
C14	C15	C16	H9	179.9°	180.0°
C16	C15	C14	C12	0.1°	0.0°
C15	C16	C17	H9	180.0°	179.9°
C15	C16	C17	C13	0.1°	0.1°
C15	C16	C17	O18	179.7°	179.9°
C14	C12	C11	C13	179.3°	179.9°
C14	C12	C11	N9	150.2°	80.0°
C14	C12	C13	C17	0.2°	0.1°
C14	C12	C11	H2	30.0°	160.0°
C14	C12	C11	H3	89.7°	40.0°
C14	C12	C13	H6	179.8°	180.0°
C12	C14	C15	H8	180.0°	180.0°
C16	C17	C13	C12	0.0°	0.0°
C16	C17	C13	O18	179.9°	180.0°
C16	C17	O18	C20	17.4°	0.0°
C16	C17	C13	H6	180.0°	179.9°
C17	C16	C15	H8	179.9°	180.0°
C12	C11	N9	H2	120.2°	120.0°
C12	C11	N9	H3	120.2°	120.0°
C11	C12	C13	C17	179.5°	180.0°
C12	C11	N9	C10	56.5°	90.0°
C12	C11	N9	C8	119.0°	89.7°
C12	C11	H2	H3	119.5°	120.1°
C11	C12	C13	H6	0.4°	0.1°
C13	C12	C11	N9	29.2°	100.1°
C12	C13	C17	H6	180.0°	179.9°
C12	C13	C17	O18	179.9°	180.0°
C13	C12	C11	H2	149.3°	20.0°
C13	C12	C11	H3	91.0°	140.0°
C11	N9	C10	C8	175.0°	179.7°
C11	N9	C8	O29	6.6°	0.0°
C11	N9	C10	C5	166.2°	180.0°
C11	N9	C8	N7	172.5°	179.9°
N9	C11	H2	H3	119.5°	120.0°
C11	N9	C10	H4	45.7°	58.1°
C11	N9	C10	H5	73.2°	58.1°
C13	C17	O18	C20	162.4°	180.0°
C13	C17	C16	H9	179.9°	180.0°
O18	C17	C13	H6	0.1°	0.1°
O18	C17	C16	H9	0.3°	0.0°
C17	O18	C20	H10	180.0°	180.0°
C17	O18	C20	H11	60.0°	60.0°
C17	O18	C20	H12	60.0°	60.1°
O18	C20	H10	H11	120.0°	120.0°
O18	C20	H10	H12	120.0°	120.0°
O18	C20	H11	H12	120.0°	120.0°
C10	N9	C8	O29	178.2°	179.7°
N9	C10	C5	H4	120.6°	121.8°
N9	C10	C5	H5	120.6°	121.8°
C10	N9	C8	N7	2.6°	0.4°
N9	C10	C5	C4	7.3°	0.0°
N9	C10	C5	C6	173.0°	180.0°
C10	N9	C11	H2	63.7°	30.0°
C10	N9	C11	H3	176.6°	150.0°
N9	C10	H4	H5	118.2°	116.3°
N9	C8	O29	N7	179.1°	179.9°
C8	N9	C10	C5	8.8°	0.4°
N9	C8	N7	C4	5.5°	0.1°
C8	N9	C11	H2	120.8°	150.3°
C8	N9	C11	H3	1.2°	30.4°
C8	N9	C10	H4	129.3°	122.2°
C8	N9	C10	H5	111.8°	121.6°
N9	C8	N7	H21	174.5°	180.0°
O29	C8	N7	C4	173.7°	180.0°
O29	C8	N7	H21	6.3°	0.1°
C10	C5	C4	N7	0.3°	0.2°
C10	C5	C4	C6	179.7°	179.9°
C10	C5	C4	C3	179.9°	180.0°
C10	C5	C6	C1	179.9°	179.9°
C10	C5	C6	H1	0.1°	0.0°
C5	C10	H4	H5	118.3°	116.5°
C8	N7	C4	H21	180.0°	179.9°
C8	N7	C4	C5	6.6°	0.2°
C8	N7	C4	C3	173.2°	180.0°
N7	C4	C5	C3	179.8°	179.8°
N7	C4	C5	C6	179.9°	179.7°
N7	C4	C3	C2	179.5°	179.7°
N7	C4	C3	H7	0.5°	0.3°
C4	C5	C6	C1	0.2°	0.0°
C5	C4	C3	C2	0.3°	0.1°
C4	C5	C6	H1	179.8°	179.9°
C4	C5	C10	H4	127.9°	121.9°
C4	C5	C10	H5	113.3°	121.8°
C5	C4	C3	H7	179.7°	179.9°
C5	C4	N7	H21	173.4°	179.7°
C6	C5	C4	C3	0.3°	0.1°
C5	C6	C1	H1	180.0°	179.9°
C5	C6	C1	C2	0.3°	0.1°
C5	C6	C1	O22	179.9°	180.0°
C6	C5	C10	H4	52.5°	58.2°
C6	C5	C10	H5	66.4°	58.1°
C4	C3	C2	H7	180.0°	180.0°
C4	C3	C2	C1	0.8°	0.0°
C4	C3	C2	O23	179.2°	180.0°
C3	C4	N7	H21	6.8°	0.1°
C6	C1	C2	C3	0.8°	0.1°
C6	C1	O22	C28	16.4°	0.1°
C6	C1	C2	O22	179.6°	179.9°
C6	C1	C2	O23	179.1°	179.9°
C3	C2	C1	O23	178.3°	180.0°
C3	C2	C1	O22	179.6°	180.0°
C3	C2	O23	S24	82.6°	90.0°
C28	O22	C1	C2	164.0°	180.0°
O22	C28	H16	H17	120.0°	120.0°
O22	C28	H16	H18	120.0°	119.9°
O22	C28	H17	H18	120.0°	120.0°
C1	C2	O23	S24	99.1°	89.9°
C2	C1	C6	H1	179.6°	180.0°
C1	C2	C3	H7	179.2°	180.0°
O22	C1	C2	O23	1.3°	0.0°
O22	C1	C6	H1	0.0°	0.1°
C1	O22	C28	H16	180.0°	180.0°
C1	O22	C28	H17	60.0°	59.9°
C1	O22	C28	H18	60.0°	60.1°
C2	O23	S24	O27	48.3°	171.5°
C2	O23	S24	N25	71.3°	75.0°
C2	O23	S24	O26	173.0°	38.6°
O23	C2	C3	H7	0.8°	0.0°
O23	S24	O27	N25	117.7°	114.1°
O23	S24	O27	O26	123.1°	122.9°
O23	S24	N25	O26	118.2°	113.5°
O23	S24	N25	H19	180.0°	150.0°
O23	S24	N25	H20	60.0°	30.0°
O27	S24	N25	O26	123.0°	132.9°
O27	S24	N25	H19	61.1°	36.5°
O27	S24	N25	H20	58.8°	143.6°
S24	N25	H19	H20	120.0°	180.0°
O26	S24	N25	H19	61.9°	96.5°
O26	S24	N25	H20	178.2°	83.5°
H8	C15	C16	H9	0.1°	0.1°
H10	C20	H11	H12	120.0°	120.0°
H13	C21	H14	H15	120.0°	120.0°
H16	C28	H17	H18	120.0°	120.0°

Release date:	2017-12-20
Definition date:	2017-08-18
Last modified:	2017-12-15
Release status:	REL
Processing site:	EBI
Derived from:	5OSK