A1B8K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.23Å
C1	N1	sing	1.35Å	1.36Å
N1	C2	sing	1.40Å	1.42Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C8	sing	1.51Å	1.50Å
C8	N2	sing	1.48Å	1.47Å
N2	C9	sing	1.48Å	1.47Å
C1	C10	sing	1.47Å	1.50Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C11	N3	sing	1.32Å	1.34Å	Aromatic
N3	C12	doub	1.32Å	1.33Å	Aromatic
C12	C13	sing	1.39Å	1.38Å	Aromatic
C13	N4	sing	1.37Å	1.35Å	Aromatic
N4	N5	sing	1.40Å	1.36Å	Aromatic
N5	C14	doub	1.30Å	1.32Å	Aromatic
C14	C15	sing	1.41Å	1.41Å	Aromatic
C2	C7	sing	1.39Å	1.40Å	Aromatic
C10	C15	sing	1.42Å	1.42Å	Aromatic
C5	C9	sing	1.51Å	1.50Å
C13	C15	doub	1.41Å	1.41Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C3	H2	sing	1.08Å	1.08Å
N2	H7	sing	1.01Å	1.00Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
N4	H12	sing	0.97Å	1.00Å
C14	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	123.7°	120.0°
O1	C1	C10	119.9°	120.0°
C1	N1	C2	128.9°	120.0°
N1	C1	C10	116.3°	120.0°
C1	N1	H1	115.5°	120.0°
N1	C2	C3	119.7°	120.1°
N1	C2	C7	119.7°	120.1°
C2	N1	H1	115.6°	120.0°
C2	C3	C4	120.4°	119.9°
C3	C2	C7	120.6°	119.8°
C2	C3	H2	119.8°	120.0°
C3	C4	C5	119.1°	120.2°
C3	C4	H3	120.5°	119.9°
C4	C3	H2	119.8°	120.1°
C4	C5	C6	120.7°	120.1°
C4	C5	C9	129.9°	131.7°
C5	C4	H3	120.4°	119.9°
C5	C6	C7	120.8°	120.0°
C5	C6	C8	109.0°	108.3°
C6	C5	C9	109.3°	108.2°
C7	C6	C8	130.2°	131.7°
C6	C7	C2	118.4°	120.0°
C6	C7	H4	120.8°	120.0°
C6	C8	N2	101.5°	105.7°
C6	C8	H5	111.4°	110.2°
C6	C8	H6	111.4°	110.2°
C8	N2	C9	107.7°	103.9°
N2	C8	H5	111.4°	110.2°
N2	C8	H6	111.4°	110.2°
C8	N2	H7	109.9°	111.0°
N2	C9	C5	101.3°	105.7°
C9	N2	H7	109.9°	111.0°
N2	C9	H8	111.5°	110.2°
N2	C9	H9	111.5°	110.2°
C1	C10	C11	119.5°	120.8°
C1	C10	C15	122.7°	120.8°
C10	C11	N3	122.9°	121.1°
C11	C10	C15	117.7°	118.4°
C10	C11	H10	118.6°	119.5°
C11	N3	C12	119.8°	122.7°
N3	C11	H10	118.6°	119.4°
N3	C12	C13	121.7°	120.8°
N3	C12	H11	119.2°	119.7°
C12	C13	N4	133.5°	134.6°
C12	C13	C15	119.7°	118.9°
C13	C12	H11	119.1°	119.6°
C13	N4	N5	111.0°	108.0°
N4	C13	C15	106.8°	106.5°
C13	N4	H12	124.5°	126.0°
N4	N5	C14	106.9°	109.7°
N5	N4	H12	124.5°	126.0°
N5	C14	C15	110.6°	108.7°
N5	C14	H13	124.7°	125.6°
C14	C15	C10	137.2°	134.7°
C14	C15	C13	104.7°	107.1°
C15	C14	H13	124.7°	125.7°
C2	C7	H4	120.8°	120.0°
C10	C15	C13	118.1°	118.2°
C5	C9	H8	111.5°	110.2°
C5	C9	H9	111.5°	110.2°
H5	C8	H6	109.5°	110.2°
H8	C9	H9	109.4°	110.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	C10	178.0°	180.0°
O1	C1	N1	C2	9.9°	4.6°
O1	C1	C10	C11	151.9°	180.0°
O1	C1	C10	C15	31.4°	0.0°
O1	C1	N1	H1	170.1°	175.6°
C1	N1	C2	H1	180.0°	179.7°
C1	N1	C2	C3	25.7°	145.0°
N1	C1	C10	C11	30.0°	0.0°
C1	N1	C2	C7	151.5°	35.6°
N1	C1	C10	C15	146.7°	180.0°
N1	C2	C3	C7	177.2°	179.4°
N1	C2	C3	C4	179.9°	180.0°
N1	C2	C7	C6	179.3°	179.7°
C2	N1	C1	C10	172.1°	175.4°
N1	C2	C7	H4	0.7°	0.2°
N1	C2	C3	H2	0.0°	0.0°
C2	C3	C4	H2	180.0°	180.0°
C2	C3	C4	C5	3.1°	0.6°
C3	C2	C7	C6	2.2°	0.2°
C3	C2	N1	H1	154.3°	34.7°
C2	C3	C4	H3	176.9°	179.7°
C3	C2	C7	H4	177.8°	179.7°
C3	C4	C5	H3	180.0°	179.7°
C3	C4	C5	C6	2.7°	0.3°
C4	C3	C2	C7	2.9°	0.6°
C3	C4	C5	C9	178.9°	179.7°
C4	C5	C6	C9	176.9°	180.0°
C4	C5	C6	C7	2.0°	0.1°
C4	C5	C6	C8	177.6°	180.0°
C4	C5	C9	N2	163.3°	162.5°
C5	C4	C3	H2	176.9°	179.4°
C4	C5	C9	H8	78.0°	78.5°
C4	C5	C9	H9	44.7°	43.5°
C5	C6	C7	C8	179.5°	179.9°
C5	C6	C8	N2	19.1°	17.5°
C6	C5	C9	N2	20.1°	17.5°
C5	C6	C7	C2	1.7°	0.1°
C6	C5	C4	H3	177.3°	179.9°
C5	C6	C7	H4	178.2°	180.0°
C5	C6	C8	H5	99.6°	136.6°
C5	C6	C8	H6	137.8°	101.5°
C6	C5	C9	H8	98.6°	101.5°
C6	C5	C9	H9	138.8°	136.5°
C7	C6	C8	N2	161.3°	162.5°
C6	C7	C2	H4	180.0°	179.9°
C7	C6	C5	C9	179.0°	180.0°
C7	C6	C8	H5	80.0°	43.5°
C7	C6	C8	H6	42.6°	78.5°
C6	C8	N2	H5	118.7°	119.1°
C6	C8	N2	H6	118.7°	119.1°
C6	C8	N2	C9	32.3°	27.6°
C8	C6	C7	C2	177.8°	180.0°
C8	C6	C5	C9	0.6°	0.0°
C8	C6	C7	H4	2.2°	0.1°
C6	C8	H5	H6	123.7°	121.9°
C6	C8	N2	H7	152.1°	91.7°
C8	N2	C9	H7	119.7°	119.4°
C8	N2	C9	C5	32.6°	27.6°
N2	C8	H5	H6	123.7°	121.8°
C8	N2	C9	H8	86.0°	91.4°
C8	N2	C9	H9	151.3°	146.6°
N2	C9	C5	H8	118.7°	119.0°
N2	C9	C5	H9	118.7°	119.0°
C9	N2	C8	H5	86.4°	146.7°
C9	N2	C8	H6	151.0°	91.4°
N2	C9	H8	H9	123.8°	121.8°
C1	C10	C11	C15	176.9°	180.0°
C1	C10	C11	N3	178.4°	179.9°
C1	C10	C15	C14	0.7°	0.0°
C1	C10	C15	C13	179.2°	179.9°
C10	C1	N1	H1	7.9°	4.3°
C1	C10	C11	H10	1.6°	0.1°
C10	C11	N3	H10	180.0°	180.0°
C10	C11	N3	C12	5.1°	0.0°
C11	C10	C15	C14	177.5°	180.0°
C11	C10	C15	C13	2.4°	0.0°
C11	N3	C12	C13	3.1°	0.0°
N3	C11	C10	C15	4.8°	0.0°
C11	N3	C12	H11	176.9°	180.0°
N3	C12	C13	H11	180.0°	180.0°
N3	C12	C13	N4	178.8°	179.9°
N3	C12	C13	C15	0.9°	0.0°
C12	N3	C11	H10	174.9°	180.0°
C12	C13	N4	C15	179.7°	179.9°
C12	C13	N4	N5	179.0°	180.0°
C12	C13	C15	C14	179.3°	180.0°
C12	C13	C15	C10	0.6°	0.0°
C12	C13	N4	H12	1.0°	0.0°
C13	N4	N5	H12	180.0°	180.0°
C13	N4	N5	C14	1.1°	0.0°
N4	C13	C15	C14	0.9°	0.1°
N4	C13	C15	C10	179.2°	180.0°
N4	C13	C12	H11	1.2°	0.0°
N4	N5	C14	C15	0.4°	0.0°
N5	N4	C13	C15	1.3°	0.0°
N4	N5	C14	H13	179.6°	180.0°
N5	C14	C15	H13	180.0°	180.0°
N5	C14	C15	C10	179.8°	180.0°
N5	C14	C15	C13	0.3°	0.1°
C14	N5	N4	H12	179.0°	180.0°
C14	C15	C10	C13	179.9°	179.9°
C7	C2	N1	H1	28.5°	144.7°
C7	C2	C3	H2	177.1°	179.5°
C15	C10	C11	H10	175.2°	180.0°
C10	C15	C14	H13	0.2°	0.0°
C9	C5	C4	H3	1.1°	0.0°
C5	C9	N2	H7	152.4°	91.7°
C5	C9	H8	H9	123.8°	121.9°
C15	C13	C12	H11	179.1°	180.0°
C15	C13	N4	H12	178.8°	180.0°
C13	C15	C14	H13	179.7°	179.9°
H3	C4	C3	H2	3.1°	0.2°
H5	C8	N2	H7	33.4°	27.4°
H6	C8	N2	H7	89.2°	149.2°
H7	N2	C9	H8	33.7°	149.2°
H7	N2	C9	H9	88.9°	27.3°

Release date:	2025-04-23
Definition date:	2025-04-11
Last modified:	2025-04-18
Release status:	REL
Processing site:	RCSB
Derived from:	7IA1