A1DUX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C7	sing	1.43Å	1.41Å
C8	C9	doub	1.38Å	1.40Å	Aromatic
C8	C6	sing	1.38Å	1.41Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C9	C3	sing	1.38Å	1.41Å	Aromatic
C6	C5	doub	1.38Å	1.41Å	Aromatic
C3	C2	sing	1.51Å	1.53Å
C3	C4	doub	1.38Å	1.42Å	Aromatic
C5	C4	sing	1.38Å	1.41Å	Aromatic
C2	N1	sing	1.47Å	1.45Å
O1	C1	doub	1.21Å	1.23Å
N1	C1	sing	1.35Å	1.35Å
C1	C10	sing	1.48Å	1.49Å
C10	N2	doub	1.33Å	1.35Å	Aromatic
C10	C15	sing	1.40Å	1.42Å	Aromatic
C14	C15	sing	1.46Å	1.44Å	Aromatic
C14	C13	doub	1.34Å	1.37Å	Aromatic
N2	C11	sing	1.32Å	1.33Å	Aromatic
C15	C12	doub	1.41Å	1.41Å	Aromatic
C13	N4	sing	1.37Å	1.38Å	Aromatic
C11	N3	doub	1.32Å	1.33Å	Aromatic
C12	N4	sing	1.37Å	1.38Å	Aromatic
C12	N3	sing	1.33Å	1.35Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
N4	H12	sing	0.97Å	1.00Å
O2	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C7	C6	111.4°	109.5°
O2	C7	H7	109.0°	109.5°
O2	C7	H6	109.0°	109.5°
C7	O2	H8	109.5°	114.0°
C9	C8	C6	120.3°	120.0°
C8	C9	C3	120.3°	120.0°
C9	C8	H9	119.9°	120.0°
C8	C9	H10	119.9°	120.1°
C8	C6	C7	119.2°	120.0°
C8	C6	C5	120.1°	120.0°
C6	C8	H9	119.9°	120.0°
C7	C6	C5	120.7°	120.0°
C6	C7	H7	109.0°	109.4°
C6	C7	H6	109.0°	109.5°
C9	C3	C2	119.8°	120.0°
C9	C3	C4	119.2°	120.0°
C3	C9	H10	119.8°	119.9°
C6	C5	C4	119.7°	120.0°
C6	C5	H5	120.2°	120.1°
C2	C3	C4	121.0°	120.0°
C3	C2	N1	112.5°	109.5°
C3	C2	H2	108.7°	109.5°
C3	C2	H3	108.7°	109.5°
C3	C4	C5	120.5°	120.0°
C3	C4	H4	119.7°	120.0°
C5	C4	H4	119.7°	120.0°
C4	C5	H5	120.2°	119.9°
C2	N1	C1	124.6°	120.0°
N1	C2	H2	108.7°	109.5°
N1	C2	H3	108.7°	109.4°
C2	N1	H1	117.7°	120.0°
O1	C1	N1	124.0°	120.1°
O1	C1	C10	121.7°	120.0°
N1	C1	C10	114.2°	120.0°
C1	N1	H1	117.7°	120.0°
C1	C10	N2	118.5°	120.9°
C1	C10	C15	122.1°	120.9°
N2	C10	C15	119.3°	118.2°
C10	N2	C11	119.4°	121.1°
C10	C15	C14	137.9°	135.3°
C10	C15	C12	114.7°	118.6°
C15	C14	C13	106.6°	106.9°
C14	C15	C12	107.4°	106.1°
C15	C14	H14	126.7°	126.5°
C14	C13	N4	109.2°	110.0°
C14	C13	H13	125.4°	125.1°
C13	C14	H14	126.7°	126.6°
N2	C11	N3	127.9°	122.9°
N2	C11	H11	116.1°	118.6°
C15	C12	N4	106.7°	107.0°
C15	C12	N3	126.4°	118.5°
C13	N4	C12	110.0°	110.0°
N4	C13	H13	125.4°	125.0°
C13	N4	H12	125.0°	125.0°
C11	N3	C12	112.3°	120.7°
N3	C11	H11	116.0°	118.6°
N4	C12	N3	126.8°	134.4°
C12	N4	H12	125.0°	125.0°
H2	C2	H3	109.5°	109.5°
H7	C7	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C7	C6	C8	50.8°	89.9°
O2	C7	C6	H7	120.3°	120.0°
O2	C7	C6	H6	120.3°	120.1°
O2	C7	C6	C5	129.0°	90.0°
O2	C7	H7	H6	119.1°	120.0°
C9	C8	C6	H9	180.0°	179.6°
C9	C8	C6	C7	179.7°	179.8°
C8	C9	C3	H10	180.0°	179.5°
C9	C8	C6	C5	0.6°	0.1°
C8	C9	C3	C2	179.5°	179.8°
C8	C9	C3	C4	1.0°	0.5°
C8	C6	C7	C5	179.7°	179.9°
C6	C8	C9	C3	1.1°	0.4°
C8	C6	C5	C4	0.0°	0.1°
C8	C6	C5	H5	180.0°	180.0°
C8	C6	C7	H7	171.1°	30.1°
C8	C6	C7	H6	69.5°	150.0°
C6	C8	C9	H10	178.9°	180.0°
C7	C6	C5	C4	179.7°	180.0°
C7	C6	C5	H5	0.3°	0.1°
C6	C7	H7	H6	119.1°	120.0°
C7	C6	C8	H9	0.3°	0.2°
C6	C7	O2	H8	180.0°	180.0°
C9	C3	C2	C4	179.5°	179.7°
C9	C3	C4	C5	0.3°	0.3°
C9	C3	C2	N1	136.2°	90.3°
C9	C3	C2	H2	15.7°	29.7°
C9	C3	C2	H3	103.4°	149.8°
C9	C3	C4	H4	179.7°	179.7°
C3	C9	C8	H9	178.9°	180.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	H4	179.9°	180.0°
C5	C6	C7	H7	8.7°	150.0°
C5	C6	C7	H6	110.8°	30.1°
C5	C6	C8	H9	179.4°	179.7°
C2	C3	C4	C5	179.8°	180.0°
C3	C2	N1	H2	120.5°	120.0°
C3	C2	N1	H3	120.4°	120.0°
C3	C2	N1	C1	94.9°	180.0°
C3	C2	H2	H3	118.6°	120.0°
C2	C3	C4	H4	0.1°	0.0°
C2	C3	C9	H10	0.5°	0.2°
C3	C2	N1	H1	85.1°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C4	C3	C2	N1	43.3°	90.0°
C4	C3	C2	H2	163.8°	150.0°
C4	C3	C2	H3	77.1°	30.0°
C3	C4	C5	H5	179.9°	180.0°
C4	C3	C9	H10	179.1°	179.9°
C2	N1	C1	O1	3.2°	0.0°
C2	N1	C1	H1	180.0°	180.0°
C2	N1	C1	C10	178.4°	180.0°
N1	C2	H2	H3	118.6°	120.0°
O1	C1	N1	C10	175.2°	180.0°
O1	C1	C10	N2	167.7°	180.0°
O1	C1	C10	C15	15.0°	0.0°
O1	C1	N1	H1	176.7°	180.0°
N1	C1	C10	N2	17.0°	0.0°
N1	C1	C10	C15	160.3°	180.0°
C1	N1	C2	H2	144.7°	60.0°
C1	N1	C2	H3	25.6°	60.0°
C1	C10	N2	C15	177.5°	180.0°
C1	C10	C15	C14	2.3°	0.6°
C1	C10	N2	C11	178.1°	180.0°
C1	C10	C15	C12	177.6°	180.0°
C10	C1	N1	H1	1.6°	0.0°
N2	C10	C15	C14	179.7°	179.4°
N2	C10	C15	C12	0.2°	0.1°
C10	N2	C11	N3	1.6°	0.0°
C10	N2	C11	H11	178.4°	180.0°
C10	C15	C14	C12	179.9°	179.5°
C10	C15	C14	C13	179.1°	179.8°
C15	C10	N2	C11	0.6°	0.1°
C10	C15	C12	N4	179.3°	180.0°
C10	C15	C12	N3	0.5°	0.1°
C10	C15	C14	H14	0.9°	0.2°
C15	C14	C13	H14	180.0°	180.0°
C15	C14	C13	N4	0.6°	0.0°
C14	C15	C12	N4	0.6°	0.4°
C14	C15	C12	N3	179.4°	179.6°
C15	C14	C13	H13	179.4°	179.8°
C13	C14	C15	C12	0.7°	0.2°
C14	C13	N4	H13	180.0°	179.8°
C14	C13	N4	C12	0.3°	0.2°
C14	C13	N4	H12	179.7°	179.7°
N2	C11	N3	H11	180.0°	180.0°
N2	C11	N3	C12	1.8°	0.0°
C15	C12	N4	C13	0.2°	0.4°
C15	C12	N3	C11	1.2°	0.0°
C15	C12	N4	N3	178.8°	179.9°
C12	C15	C14	H14	179.3°	179.7°
C15	C12	N4	H12	179.8°	179.6°
C13	N4	C12	H12	180.0°	180.0°
C13	N4	C12	N3	179.0°	179.5°
N4	C13	C14	H14	179.4°	180.0°
C11	N3	C12	N4	179.8°	180.0°
C12	N4	C13	H13	179.7°	180.0°
C12	N3	C11	H11	178.2°	180.0°
N3	C12	N4	H12	1.0°	0.5°
H13	C13	C14	H14	0.6°	0.3°
H13	C13	N4	H12	0.3°	0.0°
H2	C2	N1	H1	35.3°	120.0°
H3	C2	N1	H1	154.4°	120.0°
H4	C4	C5	H5	0.1°	0.1°
H7	C7	O2	H8	59.7°	60.0°
H6	C7	O2	H8	59.7°	60.0°
H9	C8	C9	H10	1.1°	0.4°

Release date:	2026-11-04
Definition date:	2026-08-21
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15IO