A1A9Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N5	sing	1.47Å	1.48Å
C3	N5	sing	1.47Å	1.49Å
C3	C4	sing	1.53Å	1.54Å
O1	C5	sing	1.43Å	1.41Å
N5	C2	sing	1.47Å	1.48Å
C5	C4	sing	1.53Å	1.54Å
C4	N1	sing	1.46Å	1.46Å
N1	C6	sing	1.38Å	1.40Å
C6	C9	doub	1.40Å	1.41Å	Aromatic
C6	N2	sing	1.33Å	1.36Å	Aromatic
C10	C9	sing	1.46Å	1.43Å	Aromatic
C10	C11	doub	1.34Å	1.37Å	Aromatic
C9	C8	sing	1.41Å	1.42Å	Aromatic
N2	C7	doub	1.32Å	1.33Å	Aromatic
C11	N4	sing	1.37Å	1.39Å	Aromatic
C7	N3	sing	1.32Å	1.33Å	Aromatic
C8	N4	sing	1.37Å	1.37Å	Aromatic
C8	N3	doub	1.33Å	1.36Å	Aromatic
C3	H9	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.08Å	1.08Å
C2	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C4	H1	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C7	H14	sing	1.08Å	1.08Å
N1	H13	sing	0.97Å	1.00Å
N4	H17	sing	0.97Å	1.00Å
O1	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N5	C3	112.2°	111.0°
C1	N5	C2	109.4°	111.0°
N5	C1	H2	109.5°	109.5°
N5	C1	H3	109.5°	109.4°
N5	C1	H4	109.5°	109.5°
N5	C3	C4	116.3°	109.5°
C3	N5	C2	112.5°	111.1°
N5	C3	H9	107.7°	109.5°
N5	C3	H8	107.7°	109.4°
C3	C4	C5	110.7°	109.5°
C3	C4	N1	111.1°	109.5°
C4	C3	H9	107.7°	109.5°
C4	C3	H8	107.7°	109.5°
C3	C4	H1	108.4°	109.5°
O1	C5	C4	110.0°	109.4°
O1	C5	H11	109.3°	109.5°
O1	C5	H10	109.3°	109.5°
C5	O1	H12	109.5°	114.0°
N5	C2	H6	109.5°	109.4°
N5	C2	H5	109.5°	109.5°
N5	C2	H7	109.5°	109.4°
C5	C4	N1	108.6°	109.4°
C5	C4	H1	108.5°	109.5°
C4	C5	H11	109.3°	109.5°
C4	C5	H10	109.4°	109.4°
C4	N1	C6	121.1°	120.0°
N1	C4	H1	109.6°	109.5°
C4	N1	H13	106.5°	120.0°
N1	C6	C9	120.6°	120.9°
N1	C6	N2	120.1°	120.8°
C6	N1	H13	106.5°	120.0°
C9	C6	N2	119.3°	118.3°
C6	C9	C10	136.7°	135.1°
C6	C9	C8	115.1°	118.7°
C6	N2	C7	119.3°	121.1°
C9	C10	C11	106.6°	106.8°
C10	C9	C8	108.2°	106.2°
C9	C10	H15	126.7°	126.6°
C10	C11	N4	108.8°	109.8°
C11	C10	H15	126.7°	126.6°
C10	C11	H16	125.6°	125.1°
C9	C8	N4	106.0°	107.2°
C9	C8	N3	126.1°	118.5°
N2	C7	N3	127.9°	122.7°
N2	C7	H14	116.1°	118.6°
C11	N4	C8	110.4°	110.0°
N4	C11	H16	125.6°	125.1°
C11	N4	H17	124.8°	125.0°
C7	N3	C8	112.4°	120.7°
N3	C7	H14	116.1°	118.7°
N4	C8	N3	128.0°	134.3°
C8	N4	H17	124.8°	125.0°
H9	C3	H8	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H2	C1	H4	109.5°	109.5°
H3	C1	H4	109.5°	109.4°
H6	C2	H5	109.5°	109.5°
H6	C2	H7	109.5°	109.4°
H5	C2	H7	109.4°	109.5°
H11	C5	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N5	C3	C2	123.9°	124.0°
C1	N5	C3	C4	152.2°	163.8°
C1	N5	C3	H9	31.2°	43.8°
C1	N5	C3	H8	86.9°	76.2°
N5	C1	H2	H3	120.0°	120.0°
N5	C1	H2	H4	120.0°	120.0°
N5	C1	H3	H4	120.0°	120.0°
C1	N5	C2	H6	180.0°	176.1°
C1	N5	C2	H5	60.0°	56.1°
C1	N5	C2	H7	60.0°	64.0°
N5	C3	C4	H9	121.0°	120.1°
N5	C3	C4	H8	121.0°	119.9°
N5	C3	C4	C5	163.7°	176.0°
N5	C3	C4	N1	75.6°	56.1°
N5	C3	H9	H8	116.9°	119.9°
C3	N5	C1	H2	180.0°	65.0°
C3	N5	C1	H3	60.0°	175.0°
C3	N5	C1	H4	60.0°	55.1°
C3	N5	C2	H6	54.6°	60.0°
C3	N5	C2	H5	65.4°	180.0°
C3	N5	C2	H7	174.6°	60.0°
N5	C3	C4	H1	44.9°	64.0°
C3	C4	C5	O1	63.6°	54.9°
C4	C3	N5	C2	83.9°	72.2°
C3	C4	C5	N1	122.2°	120.0°
C3	C4	C5	H1	118.8°	120.0°
C3	C4	N1	H1	119.7°	120.0°
C3	C4	N1	C6	137.7°	151.5°
C4	C3	H9	H8	116.9°	120.0°
C3	C4	C5	H11	176.4°	175.0°
C3	C4	C5	H10	56.5°	65.0°
C3	C4	N1	H13	100.6°	28.5°
O1	C5	C4	H11	120.1°	120.0°
O1	C5	C4	H10	120.1°	120.0°
O1	C5	C4	N1	174.2°	65.0°
O1	C5	C4	H1	55.2°	175.0°
O1	C5	H11	H10	119.7°	120.1°
C2	N5	C3	H9	155.1°	167.7°
C2	N5	C3	H8	37.0°	47.7°
C2	N5	C1	H2	54.4°	59.0°
C2	N5	C1	H3	65.6°	61.0°
C2	N5	C1	H4	174.4°	179.1°
N5	C2	H6	H5	120.0°	120.0°
N5	C2	H6	H7	120.0°	119.9°
N5	C2	H5	H7	120.0°	120.0°
C5	C4	N1	H1	118.3°	120.0°
C5	C4	N1	C6	100.3°	88.5°
C5	C4	C3	H9	42.7°	56.0°
C5	C4	C3	H8	75.3°	64.0°
C4	C5	H11	H10	119.8°	119.9°
C5	C4	N1	H13	21.3°	91.5°
C4	C5	O1	H12	180.0°	180.0°
C4	N1	C6	H13	121.6°	180.0°
C4	N1	C6	C9	169.6°	180.0°
C4	N1	C6	N2	10.4°	0.1°
N1	C4	C3	H9	163.4°	64.0°
N1	C4	C3	H8	45.4°	176.0°
N1	C4	C5	H11	54.2°	55.0°
N1	C4	C5	H10	65.7°	175.0°
N1	C6	C9	N2	180.0°	179.9°
N1	C6	C9	C10	1.0°	0.1°
N1	C6	C9	C8	179.9°	179.9°
N1	C6	N2	C7	179.6°	180.0°
C6	N1	C4	H1	18.0°	31.4°
C6	C9	C10	C8	179.2°	180.0°
C6	C9	C10	C11	179.9°	180.0°
C9	C6	N2	C7	0.4°	0.0°
C6	C9	C8	N4	179.8°	180.0°
C6	C9	C8	N3	0.2°	0.1°
C6	C9	C10	H15	0.1°	0.0°
C9	C6	N1	H13	68.8°	0.0°
N2	C6	C9	C10	179.0°	180.0°
N2	C6	C9	C8	0.2°	0.0°
C6	N2	C7	N3	0.3°	0.0°
C6	N2	C7	H14	179.7°	180.0°
N2	C6	N1	H13	111.2°	180.0°
C9	C10	C11	H15	180.0°	180.0°
C9	C10	C11	N4	0.7°	0.0°
C10	C9	C8	N4	0.4°	0.0°
C10	C9	C8	N3	179.6°	180.0°
C9	C10	C11	H16	179.3°	180.0°
C11	C10	C9	C8	0.7°	0.0°
C10	C11	N4	H16	180.0°	180.0°
C10	C11	N4	C8	0.5°	0.0°
C10	C11	N4	H17	179.5°	179.9°
C9	C8	N4	C11	0.0°	0.0°
C9	C8	N3	C7	0.3°	0.1°
C9	C8	N4	N3	180.0°	179.9°
C8	C9	C10	H15	179.3°	180.0°
C9	C8	N4	H17	180.0°	179.9°
N2	C7	N3	H14	180.0°	180.0°
N2	C7	N3	C8	0.1°	0.0°
C11	N4	C8	H17	180.0°	180.0°
C11	N4	C8	N3	180.0°	179.9°
N4	C11	C10	H15	179.3°	180.0°
C7	N3	C8	N4	179.7°	180.0°
C8	N4	C11	H16	179.6°	180.0°
C8	N3	C7	H14	179.9°	179.9°
N3	C8	N4	H17	0.0°	0.0°
H9	C3	C4	H1	76.1°	176.0°
H8	C3	C4	H1	165.8°	56.0°
H2	C1	H3	H4	120.0°	120.0°
H15	C10	C11	H16	0.7°	0.0°
H16	C11	N4	H17	0.4°	0.1°
H6	C2	H5	H7	120.0°	120.0°
H1	C4	C5	H11	64.8°	65.0°
H1	C4	C5	H10	175.3°	55.0°
H1	C4	N1	H13	139.6°	148.5°
H11	C5	O1	H12	60.0°	60.0°
H10	C5	O1	H12	59.9°	60.1°

Release date:	2025-06-11
Definition date:	2024-09-24
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HEE