Y9Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C9	doub	1.21Å	1.25Å
O2	C9	sing	1.34Å	1.25Å
C9	C8	sing	1.51Å	1.52Å
C8	O1	sing	1.43Å	1.39Å
C7	O1	sing	1.43Å	1.40Å
C7	C6	sing	1.53Å	1.52Å
C6	C5	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.44Å
C18	C17	doub	1.38Å	1.37Å	Aromatic
C18	C19	sing	1.38Å	1.38Å	Aromatic
C17	C16	sing	1.38Å	1.37Å	Aromatic
C19	C14	doub	1.39Å	1.37Å	Aromatic
N1	C2	sing	1.46Å	1.45Å
N1	C10	sing	1.39Å	1.45Å
C16	C15	doub	1.38Å	1.37Å	Aromatic
C2	C3	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.53Å
N3	C10	sing	1.33Å	1.31Å	Aromatic
N3	C13	doub	1.33Å	1.31Å	Aromatic
C14	C15	sing	1.39Å	1.37Å	Aromatic
C14	C13	sing	1.48Å	1.52Å
C10	C11	doub	1.39Å	1.37Å	Aromatic
C13	C12	sing	1.40Å	1.38Å	Aromatic
C11	N2	sing	1.32Å	1.32Å	Aromatic
C12	N2	doub	1.33Å	1.31Å	Aromatic
C12	C20	sing	1.48Å	1.52Å
C25	C20	doub	1.39Å	1.38Å	Aromatic
C25	C24	sing	1.38Å	1.38Å	Aromatic
C20	C21	sing	1.39Å	1.38Å	Aromatic
C24	C23	doub	1.38Å	1.38Å	Aromatic
C21	C22	doub	1.38Å	1.38Å	Aromatic
C23	C22	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C8	H16	sing	1.09Å	1.10Å
C8	H17	sing	1.09Å	1.10Å
O2	H18	sing	0.97Å	0.95Å
C11	H19	sing	1.08Å	1.08Å
C15	H20	sing	1.08Å	1.08Å
C16	H21	sing	1.08Å	1.08Å
C17	H22	sing	1.08Å	1.08Å
C18	H23	sing	1.08Å	1.08Å
C19	H24	sing	1.08Å	1.08Å
C21	H25	sing	1.08Å	1.08Å
C22	H26	sing	1.08Å	1.08Å
C23	H27	sing	1.08Å	1.08Å
C24	H28	sing	1.08Å	1.08Å
C25	H29	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C9	O2	119.9°	120.0°
O3	C9	C8	121.5°	120.0°
O2	C9	C8	118.5°	120.0°
C9	O2	H18	109.5°	117.0°
C9	C8	O1	106.9°	109.5°
C9	C8	H16	110.1°	109.5°
C9	C8	H17	110.1°	109.4°
C8	O1	C7	114.7°	114.0°
O1	C8	H16	110.2°	109.5°
O1	C8	H17	110.1°	109.5°
O1	C7	C6	109.2°	109.4°
O1	C7	H14	109.5°	109.5°
O1	C7	H15	109.6°	109.5°
C7	C6	C5	108.3°	109.4°
C7	C6	H12	109.8°	109.5°
C7	C6	H13	109.8°	109.5°
C6	C7	H14	109.6°	109.4°
C6	C7	H15	109.5°	109.5°
C6	C5	C4	108.9°	109.4°
C6	C5	H10	109.6°	109.5°
C6	C5	H11	109.6°	109.5°
C5	C6	H12	109.8°	109.5°
C5	C6	H13	109.8°	109.4°
C5	C4	N1	107.4°	109.5°
C5	C4	H8	110.0°	109.5°
C5	C4	H9	110.0°	109.4°
C4	C5	H10	109.6°	109.5°
C4	C5	H11	109.6°	109.5°
C4	N1	C2	118.4°	120.0°
C4	N1	C10	116.8°	120.0°
N1	C4	H8	110.0°	109.5°
N1	C4	H9	110.0°	109.4°
C17	C18	C19	120.1°	120.1°
C18	C17	C16	119.7°	120.3°
C18	C17	H22	120.1°	119.8°
C17	C18	H23	120.0°	120.0°
C18	C19	C14	120.0°	119.9°
C19	C18	H23	120.0°	119.9°
C18	C19	H24	120.0°	120.1°
C17	C16	C15	120.1°	120.2°
C17	C16	H21	120.0°	119.9°
C16	C17	H22	120.1°	119.9°
C19	C14	C15	120.0°	119.7°
C19	C14	C13	119.1°	120.2°
C14	C19	H24	120.0°	120.0°
C2	N1	C10	124.8°	120.0°
N1	C2	C3	110.6°	109.5°
N1	C2	C1	111.5°	109.5°
N1	C2	H4	108.2°	109.5°
N1	C10	N3	117.1°	119.9°
N1	C10	C11	123.6°	119.9°
C16	C15	C14	120.1°	119.9°
C16	C15	H20	119.9°	120.0°
C15	C16	H21	120.0°	119.9°
C3	C2	C1	111.8°	109.5°
C3	C2	H4	107.3°	109.4°
C2	C3	H5	109.5°	109.4°
C2	C3	H6	109.4°	109.5°
C2	C3	H7	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	107.3°	109.5°
C10	N3	C13	122.1°	119.9°
N3	C10	C11	119.3°	120.2°
N3	C13	C14	116.7°	120.1°
N3	C13	C12	118.9°	119.8°
C15	C14	C13	120.9°	120.1°
C14	C15	H20	119.9°	120.1°
C14	C13	C12	124.4°	120.1°
C10	C11	N2	119.0°	120.2°
C10	C11	H19	120.5°	119.9°
C13	C12	N2	119.1°	119.8°
C13	C12	C20	122.8°	120.1°
C11	N2	C12	121.6°	120.1°
N2	C11	H19	120.5°	119.8°
N2	C12	C20	118.0°	120.1°
C12	C20	C25	121.0°	120.1°
C12	C20	C21	118.8°	120.1°
C20	C25	C24	120.2°	119.8°
C25	C20	C21	120.2°	119.8°
C20	C25	H29	119.9°	120.1°
C25	C24	C23	119.1°	120.1°
C25	C24	H28	120.4°	119.9°
C24	C25	H29	119.9°	120.1°
C20	C21	C22	119.9°	119.8°
C20	C21	H25	120.0°	120.1°
C24	C23	C22	121.0°	120.3°
C24	C23	H27	119.5°	119.8°
C23	C24	H28	120.5°	119.9°
C21	C22	C23	119.6°	120.2°
C22	C21	H25	120.1°	120.1°
C21	C22	H26	120.2°	119.9°
C23	C22	H26	120.2°	119.9°
C22	C23	H27	119.5°	119.9°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H5	C3	H6	109.5°	109.4°
H5	C3	H7	109.5°	109.5°
H6	C3	H7	109.5°	109.5°
H8	C4	H9	109.4°	109.5°
H10	C5	H11	109.5°	109.4°
H12	C6	H13	109.5°	109.5°
H14	C7	H15	109.5°	109.4°
H16	C8	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C9	O2	C8	179.4°	180.0°
O3	C9	C8	O1	171.9°	0.0°
O3	C9	C8	H16	68.4°	120.0°
O3	C9	C8	H17	52.4°	120.0°
O3	C9	O2	H18	0.0°	0.0°
O2	C9	C8	O1	7.4°	180.0°
O2	C9	C8	H16	112.2°	60.0°
O2	C9	C8	H17	127.0°	60.0°
C9	C8	O1	H16	119.6°	120.0°
C9	C8	O1	H17	119.6°	120.0°
C9	C8	O1	C7	102.2°	180.0°
C9	C8	H16	H17	121.2°	119.9°
C8	C9	O2	H18	179.4°	180.0°
C8	O1	C7	C6	174.3°	180.0°
C8	O1	C7	H14	65.7°	60.1°
C8	O1	C7	H15	54.4°	59.9°
O1	C8	H16	H17	121.2°	120.1°
O1	C7	C6	H14	120.0°	120.0°
O1	C7	C6	H15	120.0°	120.1°
O1	C7	C6	C5	24.6°	179.9°
O1	C7	C6	H12	95.2°	60.1°
O1	C7	C6	H13	144.5°	60.0°
O1	C7	H14	H15	120.2°	120.1°
C7	O1	C8	H16	17.4°	60.1°
C7	O1	C8	H17	138.3°	60.0°
C7	C6	C5	H12	119.8°	120.0°
C7	C6	C5	H13	119.8°	119.9°
C7	C6	C5	C4	53.4°	180.0°
C7	C6	C5	H10	66.5°	60.0°
C7	C6	C5	H11	173.3°	60.0°
C7	C6	H12	H13	120.5°	120.0°
C6	C7	H14	H15	120.1°	120.0°
C6	C5	C4	H10	119.9°	120.1°
C6	C5	C4	H11	119.9°	120.0°
C6	C5	C4	N1	160.8°	179.9°
C6	C5	C4	H8	41.1°	60.0°
C6	C5	C4	H9	79.5°	60.0°
C6	C5	H10	H11	120.3°	120.0°
C5	C6	H12	H13	120.5°	120.0°
C5	C6	C7	H14	144.6°	60.0°
C5	C6	C7	H15	95.3°	60.0°
C5	C4	N1	H8	119.7°	120.0°
C5	C4	N1	H9	119.7°	119.9°
C5	C4	N1	C2	98.1°	90.0°
C5	C4	N1	C10	81.8°	90.0°
C5	C4	H8	H9	121.0°	120.0°
C4	C5	H10	H11	120.3°	120.0°
C4	C5	C6	H12	173.2°	60.0°
C4	C5	C6	H13	66.4°	60.1°
C4	N1	C2	C10	179.9°	180.0°
C4	N1	C2	C3	113.3°	120.0°
C4	N1	C2	C1	121.6°	120.0°
C4	N1	C10	N3	3.6°	175.2°
C4	N1	C10	C11	176.5°	4.9°
C4	N1	C2	H4	3.9°	0.0°
N1	C4	H8	H9	120.9°	120.0°
N1	C4	C5	H10	79.3°	60.0°
N1	C4	C5	H11	40.9°	59.9°
C17	C18	C19	H23	180.0°	179.8°
C18	C17	C16	H22	180.0°	180.0°
C17	C18	C19	C14	1.1°	0.5°
C18	C17	C16	C15	0.9°	0.0°
C18	C17	C16	H21	179.1°	180.0°
C17	C18	C19	H24	178.9°	179.9°
C19	C18	C17	C16	0.7°	0.2°
C18	C19	C14	H24	180.0°	179.6°
C18	C19	C14	C15	1.6°	0.5°
C18	C19	C14	C13	179.5°	179.8°
C19	C18	C17	H22	179.3°	179.8°
C17	C16	C15	H21	180.0°	179.9°
C17	C16	C15	C14	1.5°	0.0°
C17	C16	C15	H20	178.5°	180.0°
C16	C17	C18	H23	179.3°	180.0°
C19	C14	C15	C16	1.8°	0.2°
C19	C14	C13	N3	47.9°	134.8°
C19	C14	C15	C13	177.9°	179.8°
C19	C14	C13	C12	132.9°	45.4°
C19	C14	C15	H20	178.2°	179.8°
C14	C19	C18	H23	179.0°	179.8°
N1	C2	C3	C1	124.9°	120.1°
N1	C2	C3	H4	117.8°	120.0°
N1	C2	C1	H4	118.3°	120.0°
C2	N1	C10	N3	176.3°	4.8°
C2	N1	C10	C11	3.6°	175.0°
N1	C2	C1	H1	180.0°	180.0°
N1	C2	C1	H2	60.0°	60.0°
N1	C2	C1	H3	60.0°	60.0°
N1	C2	C3	H5	180.0°	60.0°
N1	C2	C3	H6	60.0°	59.9°
N1	C2	C3	H7	60.0°	180.0°
C2	N1	C4	H8	142.2°	30.0°
C2	N1	C4	H9	21.6°	150.1°
C10	N1	C2	C3	66.8°	60.0°
C10	N1	C2	C1	58.2°	60.0°
N1	C10	N3	C11	179.9°	179.8°
N1	C10	N3	C13	180.0°	179.8°
N1	C10	C11	N2	179.7°	180.0°
C10	N1	C2	H4	176.0°	179.9°
C10	N1	C4	H8	37.9°	150.0°
C10	N1	C4	H9	158.5°	30.0°
N1	C10	C11	H19	0.3°	0.0°
C16	C15	C14	H20	180.0°	180.0°
C16	C15	C14	C13	179.7°	180.0°
C15	C16	C17	H22	179.0°	180.0°
C3	C2	C1	H4	117.3°	119.9°
C3	C2	C1	H1	55.6°	59.9°
C3	C2	C1	H2	175.6°	180.0°
C3	C2	C1	H3	64.4°	60.1°
C2	C3	H5	H6	120.0°	120.0°
C2	C3	H5	H7	120.0°	120.0°
C2	C3	H6	H7	120.0°	120.1°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	119.9°
C1	C2	C3	H5	55.1°	60.1°
C1	C2	C3	H6	64.9°	180.0°
C1	C2	C3	H7	175.1°	59.9°
C10	N3	C13	C14	179.6°	179.7°
C10	N3	C13	C12	0.3°	0.4°
N3	C10	C11	N2	0.4°	0.1°
N3	C10	C11	H19	179.6°	179.8°
N3	C13	C14	C15	130.0°	45.0°
N3	C13	C14	C12	179.2°	179.9°
C13	N3	C10	C11	0.1°	0.4°
N3	C13	C12	N2	0.5°	0.1°
N3	C13	C12	C20	179.9°	179.8°
C15	C14	C13	C12	49.2°	134.9°
C14	C15	C16	H21	178.5°	180.0°
C15	C14	C19	H24	178.4°	179.9°
C14	C13	C12	N2	179.6°	180.0°
C14	C13	C12	C20	0.9°	0.1°
C13	C14	C15	H20	0.3°	0.0°
C13	C14	C19	H24	0.5°	0.2°
C10	C11	N2	H19	180.0°	179.9°
C10	C11	N2	C12	0.3°	0.1°
C13	C12	N2	C11	0.2°	0.1°
C13	C12	N2	C20	179.5°	179.9°
C13	C12	C20	C25	38.5°	45.3°
C13	C12	C20	C21	142.5°	135.0°
C11	N2	C12	C20	179.7°	180.0°
N2	C12	C20	C25	140.9°	134.6°
N2	C12	C20	C21	38.0°	45.1°
C12	N2	C11	H19	179.7°	179.9°
C12	C20	C25	C21	178.9°	179.7°
C12	C20	C25	C24	179.9°	179.7°
C12	C20	C21	C22	179.5°	180.0°
C12	C20	C21	H25	0.5°	0.0°
C12	C20	C25	H29	0.1°	0.0°
C20	C25	C24	H29	180.0°	179.6°
C20	C25	C24	C23	1.1°	0.6°
C25	C20	C21	C22	0.5°	0.3°
C25	C20	C21	H25	179.5°	179.7°
C20	C25	C24	H28	179.0°	179.6°
C24	C25	C20	C21	1.2°	0.6°
C25	C24	C23	H28	180.0°	179.7°
C25	C24	C23	C22	0.3°	0.3°
C25	C24	C23	H27	179.7°	179.7°
C20	C21	C22	H25	180.0°	180.0°
C20	C21	C22	C23	0.2°	0.1°
C20	C21	C22	H26	179.8°	180.0°
C21	C20	C25	H29	178.8°	179.7°
C24	C23	C22	C21	0.3°	0.1°
C24	C23	C22	H27	180.0°	180.0°
C24	C23	C22	H26	179.7°	180.0°
C23	C24	C25	H29	178.9°	179.7°
C21	C22	C23	H26	180.0°	179.9°
C21	C22	C23	H27	179.7°	180.0°
C23	C22	C21	H25	179.8°	179.9°
C22	C23	C24	H28	179.7°	180.0°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	61.7°	60.0°
H2	C1	C2	H4	58.3°	60.1°
H3	C1	C2	H4	178.3°	180.0°
H4	C2	C3	H5	62.2°	180.0°
H4	C2	C3	H6	177.8°	60.1°
H4	C2	C3	H7	57.8°	60.0°
H5	C3	H6	H7	120.0°	120.0°
H8	C4	C5	H10	161.0°	60.0°
H8	C4	C5	H11	78.8°	180.0°
H9	C4	C5	H10	40.4°	179.9°
H9	C4	C5	H11	160.5°	60.0°
H10	C5	C6	H12	53.3°	180.0°
H10	C5	C6	H13	173.7°	60.0°
H11	C5	C6	H12	66.9°	60.0°
H11	C5	C6	H13	53.5°	180.0°
H12	C6	C7	H14	24.8°	179.9°
H12	C6	C7	H15	144.9°	60.0°
H13	C6	C7	H14	95.6°	60.0°
H13	C6	C7	H15	24.5°	179.9°
H20	C15	C16	H21	1.5°	0.0°
H21	C16	C17	H22	1.0°	0.0°
H22	C17	C18	H23	0.7°	0.0°
H23	C18	C19	H24	1.0°	0.2°
H25	C21	C22	H26	0.2°	0.0°
H26	C22	C23	H27	0.3°	0.0°
H27	C23	C24	H28	0.3°	0.0°
H28	C24	C25	H29	1.0°	0.0°

Release date:	2024-03-06
Definition date:	2023-11-28
Last modified:	2024-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	8X79