A1A8K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C4	sing	1.43Å	1.41Å
C4	C3	sing	1.55Å	1.52Å
C4	C5	sing	1.55Å	1.53Å
C3	C2	sing	1.54Å	1.53Å
O3	C1	doub	1.21Å	1.25Å
C5	N1	sing	1.48Å	1.46Å
C1	C2	sing	1.51Å	1.53Å
C1	O1	sing	1.34Å	1.25Å
C2	N1	sing	1.47Å	1.47Å
N1	C6	sing	1.38Å	1.41Å
C6	C9	doub	1.40Å	1.43Å	Aromatic
C6	N2	sing	1.33Å	1.36Å	Aromatic
C10	C9	sing	1.46Å	1.44Å	Aromatic
C10	C11	doub	1.34Å	1.37Å	Aromatic
C9	C8	sing	1.41Å	1.42Å	Aromatic
N2	C7	doub	1.32Å	1.32Å	Aromatic
C11	N4	sing	1.37Å	1.38Å	Aromatic
C7	N3	sing	1.32Å	1.32Å	Aromatic
C8	N4	sing	1.37Å	1.38Å	Aromatic
C8	N3	doub	1.33Å	1.36Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C10	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.08Å	1.08Å
N4	H11	sing	0.97Å	1.00Å
O1	H12	sing	0.97Å	0.95Å
O2	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C4	C3	113.5°	111.0°
O2	C4	C5	112.8°	111.0°
O2	C4	H2	109.7°	110.9°
C4	O2	H5	109.5°	114.0°
C3	C4	C5	104.3°	101.7°
C4	C3	C2	105.7°	103.0°
C4	C3	H3	110.4°	110.7°
C4	C3	H4	110.4°	110.8°
C3	C4	H2	108.2°	111.0°
C4	C5	N1	107.0°	104.8°
C5	C4	H2	108.1°	111.0°
C4	C5	H6	110.1°	110.4°
C4	C5	H7	110.1°	110.4°
C3	C2	C1	112.4°	109.9°
C3	C2	N1	108.0°	107.3°
C2	C3	H3	110.4°	110.7°
C2	C3	H4	110.4°	110.7°
C3	C2	H1	108.3°	109.8°
O3	C1	C2	118.4°	120.0°
O3	C1	O1	125.2°	120.0°
C5	N1	C2	107.8°	108.6°
C5	N1	C6	119.6°	111.0°
N1	C5	H6	110.1°	110.3°
N1	C5	H7	110.1°	110.4°
C2	C1	O1	116.4°	120.0°
C1	C2	N1	110.6°	109.9°
C1	C2	H1	108.3°	109.9°
C1	O1	H12	109.5°	117.0°
C2	N1	C6	112.3°	111.0°
N1	C2	H1	109.1°	110.0°
N1	C6	C9	125.0°	120.8°
N1	C6	N2	117.2°	120.9°
C9	C6	N2	117.8°	118.3°
C6	C9	C10	138.4°	135.1°
C6	C9	C8	114.5°	118.7°
C6	N2	C7	121.2°	121.0°
C9	C10	C11	107.1°	106.8°
C10	C9	C8	107.1°	106.3°
C9	C10	H9	126.4°	126.6°
C10	C11	N4	108.8°	109.8°
C11	C10	H9	126.4°	126.6°
C10	C11	H10	125.6°	125.1°
C9	C8	N4	106.9°	107.1°
C9	C8	N3	126.9°	118.6°
N2	C7	N3	127.4°	122.7°
N2	C7	H8	116.3°	118.6°
C11	N4	C8	110.1°	110.1°
N4	C11	H10	125.6°	125.1°
C11	N4	H11	124.9°	125.0°
C7	N3	C8	112.3°	120.7°
N3	C7	H8	116.3°	118.7°
N4	C8	N3	126.3°	134.3°
C8	N4	H11	125.0°	124.9°
H3	C3	H4	109.5°	110.7°
H6	C5	H7	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C4	C3	C5	123.2°	118.1°
O2	C4	C3	H2	122.0°	123.8°
O2	C4	C5	H2	121.5°	123.8°
O2	C4	C3	C2	142.2°	153.8°
O2	C4	C5	N1	150.8°	155.2°
O2	C4	C3	H3	98.4°	35.4°
O2	C4	C3	H4	22.8°	87.8°
O2	C4	C5	H6	31.1°	36.4°
O2	C4	C5	H7	89.6°	86.0°
C3	C4	C5	H2	114.9°	118.1°
C4	C3	C2	H3	119.4°	118.4°
C4	C3	C2	H4	119.4°	118.5°
C3	C4	C5	N1	27.2°	37.1°
C4	C3	C2	C1	117.6°	97.1°
C4	C3	C2	N1	4.7°	22.3°
C4	C3	H3	H4	121.8°	123.3°
C4	C3	C2	H1	122.8°	141.9°
C3	C4	C5	H6	92.5°	81.7°
C3	C4	C5	H7	146.8°	155.9°
C3	C4	O2	H5	180.0°	180.0°
C5	C4	C3	C2	19.0°	35.7°
C4	C5	N1	H6	119.6°	118.8°
C4	C5	N1	H7	119.6°	118.8°
C4	C5	N1	C2	24.8°	24.1°
C4	C5	N1	C6	154.7°	146.3°
C5	C4	C3	H3	138.4°	82.7°
C5	C4	C3	H4	100.4°	154.1°
C4	C5	H6	H7	121.1°	122.4°
C5	C4	O2	H5	61.7°	67.7°
C3	C2	C1	O3	44.7°	118.6°
C3	C2	N1	C5	12.5°	0.9°
C3	C2	C1	N1	120.8°	117.8°
C3	C2	C1	H1	119.7°	121.0°
C3	C2	C1	O1	136.0°	61.4°
C3	C2	N1	H1	117.6°	119.4°
C3	C2	N1	C6	146.3°	123.2°
C2	C3	H3	H4	121.7°	123.1°
C2	C3	C4	H2	95.9°	82.4°
O3	C1	C2	O1	179.3°	180.0°
O3	C1	C2	N1	76.2°	0.8°
O3	C1	C2	H1	164.3°	120.4°
O3	C1	O1	H12	0.0°	0.0°
C5	N1	C2	C1	135.9°	120.4°
C5	N1	C2	C6	133.9°	122.2°
C5	N1	C6	C9	78.3°	59.2°
C5	N1	C6	N2	102.0°	120.9°
C5	N1	C2	H1	105.1°	118.5°
N1	C5	C4	H2	87.7°	81.1°
N1	C5	H6	H7	121.1°	122.3°
C1	C2	N1	H1	119.0°	121.1°
C1	C2	N1	C6	90.3°	117.4°
C1	C2	C3	H3	1.8°	144.5°
C1	C2	C3	H4	123.0°	21.4°
C2	C1	O1	H12	179.3°	180.0°
O1	C1	C2	N1	103.1°	179.2°
O1	C1	C2	H1	16.4°	59.6°
C2	N1	C6	C9	153.8°	180.0°
C2	N1	C6	N2	25.8°	0.1°
N1	C2	C3	H3	124.1°	96.1°
N1	C2	C3	H4	114.7°	140.8°
C2	N1	C5	H6	94.8°	94.7°
C2	N1	C5	H7	144.4°	142.9°
N1	C6	C9	N2	179.7°	179.9°
N1	C6	C9	C10	0.3°	0.0°
N1	C6	C9	C8	179.4°	180.0°
N1	C6	N2	C7	179.4°	180.0°
C6	N1	C2	H1	28.8°	3.8°
C6	N1	C5	H6	35.1°	27.5°
C6	N1	C5	H7	85.7°	94.8°
C6	C9	C10	C8	179.7°	180.0°
C6	C9	C10	C11	179.7°	180.0°
C9	C6	N2	C7	0.2°	0.1°
C6	C9	C8	N4	179.6°	180.0°
C6	C9	C8	N3	0.3°	0.0°
C6	C9	C10	H9	0.3°	0.0°
N2	C6	C9	C10	179.9°	180.0°
N2	C6	C9	C8	0.3°	0.0°
C6	N2	C7	N3	0.2°	0.2°
C6	N2	C7	H8	179.8°	180.0°
C9	C10	C11	H9	180.0°	180.0°
C9	C10	C11	N4	0.4°	0.0°
C10	C9	C8	N4	0.6°	0.0°
C10	C9	C8	N3	180.0°	180.0°
C9	C10	C11	H10	179.6°	179.9°
C11	C10	C9	C8	0.6°	0.0°
C10	C11	N4	H10	180.0°	179.9°
C10	C11	N4	C8	0.0°	0.0°
C10	C11	N4	H11	180.0°	180.0°
C9	C8	N4	C11	0.4°	0.0°
C9	C8	N3	C7	0.2°	0.1°
C9	C8	N4	N3	179.4°	180.0°
C8	C9	C10	H9	179.4°	180.0°
C9	C8	N4	H11	179.6°	180.0°
N2	C7	N3	H8	180.0°	179.9°
N2	C7	N3	C8	0.1°	0.2°
C11	N4	C8	H11	180.0°	180.0°
C11	N4	C8	N3	179.8°	179.9°
N4	C11	C10	H9	179.6°	180.0°
C7	N3	C8	N4	179.4°	179.9°
C8	N4	C11	H10	180.0°	180.0°
C8	N3	C7	H8	179.9°	180.0°
N3	C8	N4	H11	0.2°	0.0°
H3	C3	C2	H1	117.8°	23.5°
H3	C3	C4	H2	23.5°	159.2°
H4	C3	C2	H1	3.4°	99.6°
H4	C3	C4	H2	144.7°	36.0°
H9	C10	C11	H10	0.4°	0.1°
H10	C11	N4	H11	0.0°	0.1°
H2	C4	C5	H6	152.6°	160.2°
H2	C4	C5	H7	31.8°	37.8°
H2	C4	O2	H5	58.9°	56.1°

Release date:	2025-06-11
Definition date:	2024-09-20
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HDM