A1A6Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	N1	sing	1.32Å	1.42Å	Aromatic
C5	C4	doub	1.34Å	1.38Å	Aromatic
N1	C6	doub	1.29Å	1.32Å	Aromatic
C3	C4	sing	1.51Å	1.51Å
C3	C2	sing	1.53Å	1.59Å
C4	S1	sing	1.76Å	1.76Å	Aromatic
C6	S1	sing	1.71Å	1.75Å	Aromatic
O1	C1	sing	1.43Å	1.40Å
C1	C2	sing	1.53Å	1.57Å
C2	N2	sing	1.46Å	1.47Å
N2	C7	sing	1.38Å	1.39Å
C7	C10	doub	1.40Å	1.43Å	Aromatic
C7	N3	sing	1.33Å	1.37Å	Aromatic
C11	C10	sing	1.46Å	1.45Å	Aromatic
C11	C12	doub	1.34Å	1.39Å	Aromatic
C10	C9	sing	1.41Å	1.43Å	Aromatic
N3	C8	doub	1.32Å	1.37Å	Aromatic
C12	N5	sing	1.37Å	1.37Å	Aromatic
C8	N4	sing	1.32Å	1.33Å	Aromatic
C9	N5	sing	1.37Å	1.36Å	Aromatic
C9	N4	doub	1.33Å	1.37Å	Aromatic
N2	H9	sing	0.97Å	1.00Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
N5	H13	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)
N1	C5	C4	117.5°	114.5°
C5	N1	C6	110.9°	117.1°
N1	C5	H7	121.2°	122.7°
C5	C4	C3	128.3°	126.1°
C5	C4	S1	106.6°	107.9°
C4	C5	H7	121.3°	122.7°
N1	C6	S1	113.0°	110.2°
N1	C6	H8	123.5°	124.9°
C4	C3	C2	117.6°	109.5°
C3	C4	S1	125.1°	126.0°
C4	C3	H6	107.4°	109.4°
C4	C3	H5	107.4°	109.5°
C3	C2	C1	107.6°	109.5°
C3	C2	N2	111.0°	109.5°
C2	C3	H6	107.4°	109.4°
C2	C3	H5	107.4°	109.5°
C3	C2	H1	108.2°	109.5°
C4	S1	C6	91.9°	90.3°
S1	C6	H8	123.5°	124.9°
O1	C1	C2	107.5°	109.5°
O1	C1	H3	110.0°	109.4°
O1	C1	H4	110.0°	109.5°
C1	O1	H2	109.5°	114.1°
C1	C2	N2	111.7°	109.5°
C2	C1	H3	110.0°	109.5°
C2	C1	H4	110.0°	109.5°
C1	C2	H1	108.5°	109.4°
C2	N2	C7	124.8°	120.0°
C2	N2	H9	105.5°	120.1°
N2	C2	H1	109.7°	109.5°
N2	C7	C10	123.5°	120.8°
N2	C7	N3	117.5°	120.8°
C7	N2	H9	105.5°	120.0°
C10	C7	N3	119.0°	118.4°
C7	C10	C11	140.0°	135.1°
C7	C10	C9	115.3°	118.7°
C7	N3	C8	119.3°	121.0°
C10	C11	C12	108.0°	106.8°
C11	C10	C9	104.6°	106.2°
C10	C11	H11	126.0°	126.6°
C11	C12	N5	108.4°	109.8°
C11	C12	H12	125.8°	125.1°
C12	C11	H11	126.0°	126.6°
C10	C9	N5	108.6°	107.2°
C10	C9	N4	126.0°	118.5°
N3	C8	N4	127.3°	122.7°
N3	C8	H10	116.4°	118.7°
C12	N5	C9	110.4°	110.0°
N5	C12	H12	125.8°	125.1°
C12	N5	H13	124.8°	125.0°
C8	N4	C9	113.1°	120.7°
N4	C8	H10	116.3°	118.7°
N5	C9	N4	125.4°	134.3°
C9	N5	H13	124.8°	125.0°
H6	C3	H5	109.5°	109.5°
H3	C1	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C5	C4	H7	180.0°	179.5°
N1	C5	C4	C3	179.4°	179.9°
N1	C5	C4	S1	0.2°	0.6°
C5	N1	C6	S1	0.3°	0.0°
C5	N1	C6	H8	179.8°	179.7°
C4	C5	N1	C6	0.1°	0.4°
C5	C4	C3	S1	179.1°	179.4°
C5	C4	C3	C2	129.3°	89.4°
C5	C4	S1	C6	0.3°	0.5°
C5	C4	C3	H6	8.1°	30.6°
C5	C4	C3	H5	109.5°	150.6°
N1	C6	S1	C4	0.3°	0.3°
N1	C6	S1	H8	180.0°	179.7°
C6	N1	C5	H7	179.9°	179.9°
C4	C3	C2	H6	121.2°	120.0°
C4	C3	C2	H5	121.2°	120.1°
C3	C4	S1	C6	179.5°	180.0°
C4	C3	C2	C1	175.8°	175.0°
C4	C3	C2	N2	61.7°	65.0°
C4	C3	H6	H5	116.3°	120.0°
C4	C3	C2	H1	58.7°	55.0°
C3	C4	C5	H7	0.6°	0.4°
C2	C3	C4	S1	51.6°	90.0°
C3	C2	C1	O1	59.6°	55.1°
C3	C2	C1	N2	122.1°	120.0°
C3	C2	C1	H1	116.9°	120.0°
C3	C2	N2	H1	119.6°	120.0°
C3	C2	N2	C7	149.1°	155.0°
C3	C2	N2	H9	88.9°	25.3°
C2	C3	H6	H5	116.3°	120.0°
C3	C2	C1	H3	179.3°	175.0°
C3	C2	C1	H4	60.1°	64.9°
S1	C4	C3	H6	172.8°	150.1°
S1	C4	C3	H5	69.6°	30.1°
C4	S1	C6	H8	179.7°	180.0°
S1	C4	C5	H7	179.8°	179.9°
O1	C1	C2	H3	119.7°	119.9°
O1	C1	C2	H4	119.7°	120.0°
O1	C1	C2	N2	178.3°	64.9°
O1	C1	H3	H4	120.9°	120.0°
O1	C1	C2	H1	57.3°	175.0°
C1	C2	N2	H1	120.3°	120.0°
C1	C2	N2	C7	90.8°	85.0°
C1	C2	N2	H9	31.2°	94.7°
C1	C2	C3	H6	54.6°	65.1°
C1	C2	C3	H5	63.1°	54.9°
C2	C1	H3	H4	121.0°	120.1°
C2	C1	O1	H2	180.0°	180.0°
C2	N2	C7	H9	122.1°	179.7°
C2	N2	C7	C10	176.2°	179.7°
C2	N2	C7	N3	3.8°	0.3°
N2	C2	C3	H6	177.1°	55.0°
N2	C2	C3	H5	59.4°	175.0°
N2	C2	C1	H3	58.6°	54.9°
N2	C2	C1	H4	62.0°	175.0°
N2	C7	C10	N3	180.0°	180.0°
N2	C7	C10	C11	0.7°	0.0°
N2	C7	C10	C9	180.0°	180.0°
N2	C7	N3	C8	179.9°	180.0°
C7	N2	C2	H1	29.5°	35.0°
C7	C10	C11	C9	179.4°	180.0°
C7	C10	C11	C12	180.0°	180.0°
C10	C7	N3	C8	0.1°	0.0°
C7	C10	C9	N5	179.7°	180.0°
C7	C10	C9	N4	0.1°	0.2°
C10	C7	N2	H9	61.7°	0.0°
C7	C10	C11	H11	0.0°	0.1°
N3	C7	C10	C11	179.4°	180.0°
N3	C7	C10	C9	0.0°	0.0°
C7	N3	C8	N4	0.1°	0.3°
N3	C7	N2	H9	118.3°	180.0°
C7	N3	C8	H10	179.9°	179.7°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	N5	0.9°	0.0°
C11	C10	C9	N5	0.1°	0.0°
C11	C10	C9	N4	179.7°	179.8°
C10	C11	C12	H12	179.1°	180.0°
C12	C11	C10	C9	0.6°	0.0°
C11	C12	N5	H12	180.0°	179.9°
C11	C12	N5	C9	0.8°	0.0°
C11	C12	N5	H13	179.2°	179.7°
C10	C9	N5	C12	0.4°	0.0°
C10	C9	N4	C8	0.1°	0.4°
C10	C9	N5	N4	179.8°	179.7°
C9	C10	C11	H11	179.3°	179.9°
C10	C9	N5	H13	179.6°	179.7°
N3	C8	N4	H10	180.0°	179.4°
N3	C8	N4	C9	0.0°	0.5°
C12	N5	C9	H13	180.0°	179.7°
C12	N5	C9	N4	179.7°	179.7°
N5	C12	C11	H11	179.1°	179.9°
C8	N4	C9	N5	179.7°	179.9°
C9	N5	C12	H12	179.2°	180.0°
C9	N4	C8	H10	180.0°	179.9°
N4	C9	N5	H13	0.3°	0.0°
H9	N2	C2	H1	151.6°	145.3°
H6	C3	C2	H1	62.4°	175.0°
H5	C3	C2	H1	179.9°	65.0°
H12	C12	C11	H11	0.9°	0.1°
H12	C12	N5	H13	0.8°	0.3°
H3	C1	C2	H1	62.4°	65.1°
H3	C1	O1	H2	60.3°	60.0°
H4	C1	C2	H1	177.0°	55.0°
H4	C1	O1	H2	60.3°	60.0°

Release date:	2025-06-11
Definition date:	2024-09-16
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HD0