A1A85

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.41Å
C2	C1	sing	1.53Å	1.57Å
C2	C3	sing	1.53Å	1.55Å
C1	C11	sing	1.53Å	1.59Å
C3	C4	sing	1.53Å	1.56Å
C11	N1	sing	1.47Å	1.49Å
C4	N1	sing	1.47Å	1.48Å
N1	C5	sing	1.38Å	1.44Å
C5	N2	doub	1.33Å	1.36Å	Aromatic
C5	C8	sing	1.40Å	1.45Å	Aromatic
C9	C8	sing	1.46Å	1.48Å	Aromatic
C9	C10	doub	1.34Å	1.40Å	Aromatic
N2	C6	sing	1.32Å	1.38Å	Aromatic
C8	C7	doub	1.41Å	1.44Å	Aromatic
C10	N4	sing	1.37Å	1.35Å	Aromatic
C6	N3	doub	1.32Å	1.33Å	Aromatic
C7	N4	sing	1.37Å	1.36Å	Aromatic
C7	N3	sing	1.33Å	1.35Å	Aromatic
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C10	H11	sing	1.08Å	1.08Å
C11	H14	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
N4	H12	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)
O1	C1	C2	110.1°	109.6°
O1	C1	C11	109.0°	109.5°
O1	C1	H1	110.8°	109.5°
C1	O1	H2	109.5°	114.0°
C1	C2	C3	112.8°	109.2°
C2	C1	C11	109.9°	109.3°
C2	C1	H1	108.7°	109.5°
C1	C2	H4	108.6°	109.6°
C1	C2	H3	108.7°	109.5°
C2	C3	C4	111.5°	109.3°
C2	C3	H6	108.9°	109.5°
C2	C3	H5	109.0°	109.5°
C3	C2	H4	108.6°	109.5°
C3	C2	H3	108.6°	109.5°
C1	C11	N1	111.3°	109.5°
C11	C1	H1	108.4°	109.5°
C1	C11	H14	109.0°	109.4°
C1	C11	H13	109.0°	109.5°
C3	C4	N1	111.5°	109.5°
C4	C3	H6	109.0°	109.5°
C4	C3	H5	108.9°	109.5°
C3	C4	H7	109.0°	109.4°
C3	C4	H8	109.0°	109.5°
C11	N1	C4	117.6°	111.2°
C11	N1	C5	120.9°	111.0°
N1	C11	H14	109.0°	109.5°
N1	C11	H13	109.0°	109.5°
C4	N1	C5	121.5°	111.0°
N1	C4	H7	109.0°	109.5°
N1	C4	H8	109.0°	109.5°
N1	C5	N2	117.9°	120.8°
N1	C5	C8	122.5°	120.9°
N2	C5	C8	119.6°	118.3°
C5	N2	C6	120.2°	121.0°
C5	C8	C9	141.5°	135.1°
C5	C8	C7	113.3°	118.7°
C8	C9	C10	107.1°	106.8°
C9	C8	C7	105.2°	106.2°
C8	C9	H10	126.5°	126.6°
C9	C10	N4	107.3°	109.8°
C10	C9	H10	126.4°	126.6°
C9	C10	H11	126.3°	125.1°
N2	C6	N3	125.4°	122.8°
N2	C6	H9	117.3°	118.6°
C8	C7	N4	106.3°	107.2°
C8	C7	N3	126.8°	118.5°
C10	N4	C7	114.1°	110.0°
N4	C10	H11	126.4°	125.1°
C10	N4	H12	123.0°	125.0°
C6	N3	C7	114.8°	120.7°
N3	C6	H9	117.3°	118.7°
N4	C7	N3	126.9°	134.3°
C7	N4	H12	123.0°	125.0°
H6	C3	H5	109.5°	109.5°
H14	C11	H13	109.5°	109.5°
H4	C2	H3	109.5°	109.6°
H7	C4	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C11	120.0°	120.0°
O1	C1	C2	H1	121.5°	120.1°
O1	C1	C2	C3	172.4°	177.6°
O1	C1	C11	H1	120.6°	120.1°
O1	C1	C11	N1	170.5°	179.2°
O1	C1	C11	H14	50.2°	59.1°
O1	C1	C11	H13	69.2°	60.8°
O1	C1	C2	H4	67.1°	57.7°
O1	C1	C2	H3	52.0°	62.5°
C1	C2	C3	H4	120.5°	120.0°
C1	C2	C3	H3	120.5°	119.8°
C2	C1	C11	H1	118.6°	119.9°
C1	C2	C3	C4	53.3°	57.7°
C2	C1	C11	N1	49.8°	59.2°
C1	C2	C3	H6	67.0°	62.3°
C1	C2	C3	H5	173.6°	177.6°
C2	C1	C11	H14	70.5°	60.9°
C2	C1	C11	H13	170.1°	179.2°
C1	C2	H4	H3	118.5°	120.1°
C2	C1	O1	H2	180.0°	60.2°
C3	C2	C1	C11	52.4°	57.6°
C2	C3	C4	H6	120.3°	120.0°
C2	C3	C4	H5	120.3°	120.0°
C2	C3	C4	N1	51.0°	59.2°
C2	C3	H6	H5	119.1°	120.1°
C3	C2	C1	H1	66.1°	62.3°
C3	C2	H4	H3	118.5°	120.2°
C2	C3	C4	H7	171.3°	179.2°
C2	C3	C4	H8	69.3°	60.8°
C1	C11	N1	H14	120.3°	120.0°
C1	C11	N1	H13	120.3°	120.0°
C1	C11	N1	C4	52.3°	61.8°
C1	C11	N1	C5	127.3°	174.2°
C1	C11	H14	H13	119.1°	119.9°
C11	C1	C2	H4	172.9°	62.3°
C11	C1	C2	H3	68.1°	177.5°
C11	C1	O1	H2	59.4°	180.0°
C3	C4	N1	C11	52.5°	61.8°
C3	C4	N1	H7	120.3°	120.0°
C3	C4	N1	H8	120.3°	120.0°
C3	C4	N1	C5	127.1°	174.2°
C4	C3	H6	H5	119.0°	120.0°
C4	C3	C2	H4	173.8°	62.3°
C4	C3	C2	H3	67.2°	177.6°
C3	C4	H7	H8	119.1°	120.0°
C11	N1	C4	C5	179.6°	124.0°
C11	N1	C5	N2	141.5°	0.0°
C11	N1	C5	C8	38.1°	180.0°
N1	C11	C1	H1	68.8°	60.7°
N1	C11	H14	H13	119.2°	120.0°
C11	N1	C4	H7	172.8°	178.2°
C11	N1	C4	H8	67.9°	58.2°
C4	N1	C5	N2	38.1°	124.2°
C4	N1	C5	C8	142.4°	55.9°
N1	C4	C3	H6	69.3°	60.8°
N1	C4	C3	H5	171.3°	179.2°
C4	N1	C11	H14	68.0°	58.2°
C4	N1	C11	H13	172.5°	178.2°
N1	C4	H7	H8	119.1°	120.0°
N1	C5	N2	C8	179.5°	179.9°
N1	C5	C8	C9	0.9°	0.1°
N1	C5	N2	C6	179.7°	180.0°
N1	C5	C8	C7	179.7°	180.0°
C5	N1	C11	H14	112.4°	65.8°
C5	N1	C11	H13	7.0°	54.2°
C5	N1	C4	H7	6.8°	54.2°
C5	N1	C4	H8	112.6°	65.8°
N2	C5	C8	C9	179.6°	180.0°
N2	C5	C8	C7	0.2°	0.0°
C5	N2	C6	N3	0.5°	0.0°
C5	N2	C6	H9	179.5°	180.0°
C5	C8	C9	C7	179.4°	180.0°
C5	C8	C9	C10	179.4°	180.0°
C8	C5	N2	C6	0.2°	0.0°
C5	C8	C7	N4	179.4°	180.0°
C5	C8	C7	N3	0.4°	0.0°
C5	C8	C9	H10	0.6°	0.0°
C8	C9	C10	H10	180.0°	179.9°
C8	C9	C10	N4	0.2°	0.0°
C9	C8	C7	N4	0.2°	0.0°
C9	C8	C7	N3	180.0°	179.9°
C8	C9	C10	H11	179.8°	180.0°
C10	C9	C8	C7	0.0°	0.0°
C9	C10	N4	H11	180.0°	180.0°
C9	C10	N4	C7	0.3°	0.0°
C9	C10	N4	H12	179.7°	180.0°
N2	C6	N3	H9	180.0°	180.0°
N2	C6	N3	C7	0.6°	0.0°
C8	C7	N4	C10	0.3°	0.0°
C8	C7	N3	C6	0.6°	0.0°
C8	C7	N4	N3	179.8°	180.0°
C7	C8	C9	H10	180.0°	179.9°
C8	C7	N4	H12	179.7°	180.0°
C10	N4	C7	H12	180.0°	180.0°
C10	N4	C7	N3	179.9°	179.9°
N4	C10	C9	H10	179.8°	179.9°
C6	N3	C7	N4	179.2°	180.0°
C7	N4	C10	H11	179.7°	180.0°
C7	N3	C6	H9	179.4°	179.9°
N3	C7	N4	H12	0.2°	0.0°
H6	C3	C2	H4	53.5°	177.8°
H6	C3	C2	H3	172.5°	57.6°
H6	C3	C4	H7	51.0°	59.2°
H6	C3	C4	H8	170.4°	179.2°
H5	C3	C2	H4	65.9°	57.7°
H5	C3	C2	H3	53.1°	62.5°
H5	C3	C4	H7	68.4°	60.8°
H5	C3	C4	H8	51.0°	59.2°
H10	C9	C10	H11	0.2°	0.1°
H1	C1	C11	H14	170.9°	179.2°
H1	C1	C11	H13	51.5°	59.3°
H1	C1	C2	H4	54.4°	177.8°
H1	C1	C2	H3	173.4°	57.6°
H1	C1	O1	H2	59.8°	59.9°
H11	C10	N4	H12	0.4°	0.0°

Release date:	2025-06-11
Definition date:	2024-09-22
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HDW