A1A9G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	O2	sing	1.45Å	1.43Å
C5	C6	sing	1.54Å	1.54Å
O2	C4	sing	1.44Å	1.42Å
C3	C4	sing	1.53Å	1.58Å
C3	C2	sing	1.53Å	1.58Å
O1	C1	sing	1.43Å	1.40Å
C4	O3	sing	1.44Å	1.43Å
C1	C2	sing	1.53Å	1.57Å
C6	O3	sing	1.44Å	1.44Å
C2	N1	sing	1.47Å	1.46Å
N1	C7	sing	1.38Å	1.40Å
C7	C10	doub	1.40Å	1.41Å	Aromatic
C7	N2	sing	1.33Å	1.38Å	Aromatic
C11	C10	sing	1.46Å	1.45Å	Aromatic
C11	C12	doub	1.34Å	1.40Å	Aromatic
C10	C9	sing	1.41Å	1.43Å	Aromatic
N2	C8	doub	1.32Å	1.36Å	Aromatic
C12	N4	sing	1.37Å	1.37Å	Aromatic
C9	N4	sing	1.37Å	1.38Å	Aromatic
C9	N3	doub	1.33Å	1.36Å	Aromatic
C8	N3	sing	1.32Å	1.34Å	Aromatic
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C12	H15	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C11	H14	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C8	H13	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å
N4	H16	sing	0.97Å	1.00Å
O1	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C5	C6	105.5°	102.9°
C5	O2	C4	108.1°	103.3°
O2	C5	H8	110.5°	110.7°
O2	C5	H9	110.4°	110.7°
C5	C6	O3	103.9°	105.1°
C5	C6	H11	110.9°	110.3°
C5	C6	H10	110.8°	110.4°
C6	C5	H8	110.4°	110.7°
C6	C5	H9	110.5°	110.8°
O2	C4	C3	107.6°	110.1°
O2	C4	O3	105.7°	106.2°
O2	C4	H7	111.0°	110.1°
C4	C3	C2	114.2°	109.5°
C3	C4	O3	112.8°	110.1°
C4	C3	H6	108.3°	109.5°
C4	C3	H5	108.3°	109.5°
C3	C4	H7	108.9°	110.1°
C3	C2	C1	108.7°	109.5°
C3	C2	N1	112.1°	109.5°
C2	C3	H6	108.3°	109.5°
C2	C3	H5	108.3°	109.5°
C3	C2	H1	108.4°	109.5°
O1	C1	C2	106.5°	109.5°
O1	C1	H3	110.2°	109.5°
O1	C1	H4	110.2°	109.5°
C1	O1	H2	109.5°	114.0°
C4	O3	C6	107.2°	107.1°
O3	C4	H7	110.9°	110.1°
C1	C2	N1	109.1°	109.4°
C2	C1	H3	110.2°	109.5°
C2	C1	H4	110.2°	109.4°
C1	C2	H1	108.5°	109.5°
O3	C6	H11	110.8°	110.3°
O3	C6	H10	110.8°	110.3°
C2	N1	C7	122.6°	120.0°
N1	C2	H1	110.0°	109.5°
C2	N1	H12	106.1°	120.0°
N1	C7	C10	120.7°	120.8°
N1	C7	N2	119.2°	120.8°
C7	N1	H12	106.1°	120.0°
C10	C7	N2	120.1°	118.3°
C7	C10	C11	140.3°	135.1°
C7	C10	C9	113.9°	118.7°
C7	N2	C8	119.0°	121.0°
C10	C11	C12	107.5°	106.8°
C11	C10	C9	105.8°	106.2°
C10	C11	H14	126.2°	126.6°
C11	C12	N4	108.4°	109.8°
C11	C12	H15	125.8°	125.1°
C12	C11	H14	126.3°	126.5°
C10	C9	N4	107.9°	107.1°
C10	C9	N3	127.6°	118.5°
N2	C8	N3	127.0°	122.7°
N2	C8	H13	116.5°	118.6°
C12	N4	C9	110.5°	110.0°
N4	C12	H15	125.8°	125.1°
C12	N4	H16	124.8°	125.0°
N4	C9	N3	124.5°	134.3°
C9	N4	H16	124.8°	124.9°
C9	N3	C8	112.5°	120.8°
N3	C8	H13	116.5°	118.7°
H6	C3	H5	109.5°	109.5°
H11	C6	H10	109.5°	110.3°
H3	C1	H4	109.5°	109.5°
H8	C5	H9	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C5	C6	H8	119.4°	118.3°
O2	C5	C6	H9	119.3°	118.3°
C5	O2	C4	C3	93.2°	158.4°
C5	O2	C4	O3	27.5°	39.2°
O2	C5	C6	O3	6.7°	21.8°
O2	C5	C6	H11	112.4°	97.1°
O2	C5	C6	H10	125.8°	140.7°
C5	O2	C4	H7	147.8°	80.0°
O2	C5	H8	H9	121.8°	123.3°
C6	C5	O2	C4	12.6°	36.6°
C5	C6	O3	C4	23.5°	1.7°
C5	C6	O3	H11	119.1°	118.9°
C5	C6	O3	H10	119.1°	119.0°
C5	C6	H11	H10	122.6°	122.2°
C6	C5	H8	H9	121.9°	123.3°
O2	C4	C3	O3	116.1°	116.7°
O2	C4	C3	H7	120.4°	121.6°
O2	C4	C3	C2	169.3°	68.2°
O2	C4	O3	H7	120.4°	119.2°
O2	C4	O3	C6	32.1°	25.1°
O2	C4	C3	H6	70.0°	171.8°
O2	C4	C3	H5	48.7°	51.8°
C4	O2	C5	H8	106.7°	81.7°
C4	O2	C5	H9	132.0°	155.0°
C4	C3	C2	H6	120.7°	120.0°
C4	C3	C2	H5	120.7°	120.0°
C3	C4	O3	H7	122.3°	121.6°
C4	C3	C2	C1	160.8°	175.0°
C3	C4	O3	C6	85.2°	144.3°
C4	C3	C2	N1	78.5°	65.0°
C4	C3	H6	H5	117.9°	120.0°
C4	C3	C2	H1	43.1°	55.0°
C3	C2	C1	O1	58.8°	55.0°
C2	C3	C4	O3	53.2°	175.0°
C3	C2	C1	N1	122.5°	120.0°
C3	C2	C1	H1	117.7°	120.0°
C3	C2	N1	H1	120.6°	120.0°
C3	C2	N1	C7	139.5°	155.0°
C2	C3	H6	H5	117.8°	120.0°
C3	C2	C1	H3	178.3°	175.0°
C3	C2	C1	H4	60.8°	65.0°
C2	C3	C4	H7	70.3°	53.4°
C3	C2	N1	H12	98.7°	24.9°
O1	C1	C2	H3	119.5°	120.0°
O1	C1	C2	H4	119.5°	120.0°
O1	C1	C2	N1	178.7°	65.0°
O1	C1	H3	H4	121.4°	120.0°
O1	C1	C2	H1	58.9°	175.0°
O3	C4	C3	H6	173.9°	55.0°
O3	C4	C3	H5	67.5°	65.0°
C4	O3	C6	H11	95.6°	120.6°
C4	O3	C6	H10	142.6°	117.2°
C1	C2	N1	H1	118.9°	120.0°
C1	C2	N1	C7	100.0°	85.0°
C1	C2	C3	H6	40.1°	65.0°
C1	C2	C3	H5	78.5°	55.0°
C2	C1	H3	H4	121.4°	120.0°
C1	C2	N1	H12	21.8°	95.0°
C2	C1	O1	H2	180.0°	180.0°
O3	C6	H11	H10	122.5°	122.2°
C6	O3	C4	H7	152.5°	94.1°
O3	C6	C5	H8	126.1°	96.6°
O3	C6	C5	H9	112.6°	140.1°
C2	N1	C7	H12	121.8°	179.9°
C2	N1	C7	C10	175.5°	180.0°
C2	N1	C7	N2	3.6°	0.0°
N1	C2	C3	H6	160.8°	55.0°
N1	C2	C3	H5	42.2°	175.0°
N1	C2	C1	H3	59.2°	55.1°
N1	C2	C1	H4	61.7°	175.0°
N1	C7	C10	N2	179.1°	180.0°
N1	C7	C10	C11	0.0°	0.0°
N1	C7	C10	C9	179.7°	180.0°
N1	C7	N2	C8	179.9°	179.9°
C7	N1	C2	H1	18.9°	35.0°
C7	C10	C11	C9	179.7°	180.0°
C7	C10	C11	C12	179.7°	180.0°
C10	C7	N2	C8	0.7°	0.0°
C7	C10	C9	N4	180.0°	180.0°
C7	C10	C9	N3	0.2°	0.0°
C7	C10	C11	H14	0.3°	0.0°
C10	C7	N1	H12	53.7°	0.1°
N2	C7	C10	C11	179.1°	180.0°
N2	C7	C10	C9	0.5°	0.0°
C7	N2	C8	N3	0.7°	0.0°
C7	N2	C8	H13	179.4°	180.0°
N2	C7	N1	H12	125.4°	180.0°
C10	C11	C12	H14	180.0°	180.0°
C10	C11	C12	N4	0.8°	0.0°
C11	C10	C9	N4	0.2°	0.0°
C11	C10	C9	N3	179.6°	180.0°
C10	C11	C12	H15	179.2°	180.0°
C12	C11	C10	C9	0.6°	0.0°
C11	C12	N4	H15	180.0°	180.0°
C11	C12	N4	C9	0.7°	0.0°
C11	C12	N4	H16	179.3°	179.9°
C10	C9	N4	C12	0.3°	0.0°
C10	C9	N4	N3	179.8°	180.0°
C10	C9	N3	C8	0.1°	0.0°
C9	C10	C11	H14	179.4°	180.0°
C10	C9	N4	H16	179.7°	179.9°
N2	C8	N3	C9	0.3°	0.0°
N2	C8	N3	H13	180.0°	179.9°
C12	N4	C9	H16	180.0°	179.9°
C12	N4	C9	N3	179.9°	180.0°
N4	C12	C11	H14	179.2°	180.0°
N4	C9	N3	C8	179.9°	180.0°
C9	N4	C12	H15	179.4°	180.0°
C9	N3	C8	H13	179.7°	180.0°
N3	C9	N4	H16	0.0°	0.1°
H6	C3	C2	H1	77.6°	175.0°
H6	C3	C4	H7	50.4°	66.6°
H5	C3	C2	H1	163.8°	65.0°
H5	C3	C4	H7	169.1°	173.4°
H11	C6	C5	H8	7.0°	144.5°
H11	C6	C5	H9	128.3°	21.2°
H10	C6	C5	H8	114.8°	22.4°
H10	C6	C5	H9	6.5°	100.9°
H15	C12	C11	H14	0.8°	0.0°
H15	C12	N4	H16	0.6°	0.1°
H3	C1	C2	H1	60.7°	65.0°
H3	C1	O1	H2	60.5°	60.0°
H4	C1	C2	H1	178.4°	55.0°
H4	C1	O1	H2	60.4°	60.0°
H1	C2	N1	H12	140.7°	144.9°

Release date:	2025-06-11
Definition date:	2024-09-23
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HE4