A1DX4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.53Å
C3	C2	sing	1.54Å	1.54Å
C3	N1	sing	1.48Å	1.45Å
C2	C11	sing	1.54Å	1.54Å
N1	C11	sing	1.48Å	1.45Å
N1	C4	sing	1.35Å	1.40Å
O2	C4	doub	1.21Å	1.23Å
C4	C5	sing	1.48Å	1.51Å
C5	N2	doub	1.33Å	1.36Å	Aromatic
C5	C10	sing	1.40Å	1.42Å	Aromatic
C9	C10	sing	1.46Å	1.44Å	Aromatic
C9	C8	doub	1.35Å	1.37Å	Aromatic
N2	C6	sing	1.32Å	1.34Å	Aromatic
C10	C7	doub	1.42Å	1.42Å	Aromatic
C8	N4	sing	1.37Å	1.39Å	Aromatic
C6	N3	doub	1.32Å	1.33Å	Aromatic
C7	N4	sing	1.37Å	1.38Å	Aromatic
C7	N3	sing	1.33Å	1.36Å	Aromatic
C11	H12	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C8	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
N4	H8	sing	0.97Å	1.00Å
O1	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C1	103.8°	112.9°
O1	C2	C3	114.3°	113.9°
O1	C2	C11	114.5°	113.8°
C2	O1	H4	109.5°	114.0°
C1	C2	C3	116.5°	113.7°
C1	C2	C11	118.0°	113.7°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H1	109.5°	109.4°
C2	C3	N1	85.2°	86.2°
C3	C2	C11	90.1°	86.3°
C2	C3	H5	115.1°	113.8°
C2	C3	H6	115.1°	113.7°
C3	N1	C11	97.9°	90.9°
C3	N1	C4	130.2°	134.5°
N1	C3	H5	115.2°	113.7°
N1	C3	H6	115.1°	113.8°
C2	C11	N1	85.3°	86.2°
C2	C11	H12	115.1°	113.8°
C2	C11	H11	115.1°	113.8°
C11	N1	C4	132.0°	134.6°
N1	C11	H12	115.1°	113.8°
N1	C11	H11	115.1°	113.8°
N1	C4	O2	120.2°	120.0°
N1	C4	C5	119.6°	120.0°
O2	C4	C5	120.1°	120.0°
C4	C5	N2	120.3°	120.9°
C4	C5	C10	121.6°	120.9°
N2	C5	C10	118.1°	118.2°
C5	N2	C6	120.0°	121.1°
C5	C10	C9	137.3°	135.3°
C5	C10	C7	115.4°	118.6°
C10	C9	C8	107.1°	106.8°
C9	C10	C7	107.4°	106.1°
C10	C9	H10	126.4°	126.6°
C9	C8	N4	108.8°	110.0°
C9	C8	H9	125.6°	124.9°
C8	C9	H10	126.4°	126.6°
N2	C6	N3	128.4°	122.9°
N2	C6	H7	115.8°	118.6°
C10	C7	N4	106.4°	107.0°
C10	C7	N3	126.5°	118.5°
C8	N4	C7	110.4°	110.0°
N4	C8	H9	125.6°	125.1°
C8	N4	H8	124.8°	125.0°
C6	N3	C7	111.7°	120.8°
N3	C6	H7	115.8°	118.5°
N4	C7	N3	127.1°	134.5°
C7	N4	H8	124.8°	125.0°
H12	C11	H11	109.4°	113.0°
H2	C1	H3	109.4°	109.5°
H2	C1	H1	109.4°	109.4°
H3	C1	H1	109.5°	109.5°
H5	C3	H6	109.5°	113.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C1	C3	126.6°	131.8°
O1	C2	C1	C11	127.9°	131.6°
O1	C2	C3	C11	117.2°	114.4°
O1	C2	C3	N1	126.1°	90.8°
O1	C2	C11	N1	125.9°	90.9°
O1	C2	C11	H12	10.3°	23.4°
O1	C2	C11	H11	118.4°	154.7°
O1	C2	C1	H2	180.0°	71.6°
O1	C2	C1	H3	60.0°	48.4°
O1	C2	C1	H1	60.0°	168.4°
O1	C2	C3	H5	118.3°	154.9°
O1	C2	C3	H6	10.5°	23.6°
C1	C2	C3	C11	121.6°	114.3°
C1	C2	C3	N1	112.7°	137.9°
C1	C2	C11	N1	111.4°	137.9°
C1	C2	C11	H12	132.9°	107.8°
C1	C2	C11	H11	4.2°	23.6°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H1	120.0°	119.9°
C2	C1	H3	H1	120.0°	120.0°
C1	C2	C3	H5	2.9°	23.7°
C1	C2	C3	H6	131.7°	107.7°
C1	C2	O1	H4	180.0°	50.3°
C2	C3	N1	H5	115.6°	114.3°
C2	C3	N1	H6	115.6°	114.3°
C2	C3	N1	C11	9.6°	24.6°
C2	C3	N1	C4	169.7°	155.4°
C3	C2	C11	H12	106.7°	137.9°
C3	C2	C11	H11	124.6°	90.8°
C3	C2	C1	H2	53.4°	156.6°
C3	C2	C1	H3	173.4°	83.3°
C3	C2	C1	H1	66.6°	36.7°
C2	C3	H5	H6	131.6°	131.7°
C3	C2	O1	H4	52.0°	81.3°
C3	N1	C11	C4	179.4°	179.9°
C3	N1	C4	O2	0.3°	0.0°
C3	N1	C4	C5	179.7°	180.0°
C3	N1	C11	H12	106.0°	138.9°
C3	N1	C11	H11	125.3°	89.8°
N1	C3	H5	H6	131.6°	131.8°
C2	C11	N1	H12	115.6°	114.4°
C2	C11	N1	H11	115.6°	114.4°
C2	C11	N1	C4	169.7°	155.4°
C2	C11	H12	H11	131.5°	131.7°
C11	C2	C1	H2	52.1°	59.9°
C11	C2	C1	H3	67.9°	180.0°
C11	C2	C1	H1	172.1°	60.0°
C11	C2	C3	H5	124.5°	90.7°
C11	C2	C3	H6	106.6°	137.9°
C11	C2	O1	H4	50.0°	178.1°
C11	N1	C4	O2	179.4°	179.9°
C11	N1	C4	C5	0.6°	0.1°
N1	C11	H12	H11	131.5°	131.7°
C11	N1	C3	H5	125.2°	89.7°
C11	N1	C3	H6	105.9°	138.8°
N1	C4	O2	C5	180.0°	180.0°
N1	C4	C5	N2	33.9°	0.1°
N1	C4	C5	C10	146.4°	179.9°
C4	N1	C11	H12	74.7°	41.0°
C4	N1	C11	H11	54.1°	90.3°
C4	N1	C3	H5	54.2°	90.3°
C4	N1	C3	H6	74.7°	41.1°
O2	C4	C5	N2	146.1°	180.0°
O2	C4	C5	C10	33.6°	0.1°
C4	C5	N2	C10	179.7°	179.9°
C4	C5	C10	C9	0.8°	0.3°
C4	C5	N2	C6	179.8°	180.0°
C4	C5	C10	C7	179.9°	180.0°
N2	C5	C10	C9	179.4°	179.6°
N2	C5	C10	C7	0.3°	0.1°
C5	N2	C6	N3	0.2°	0.0°
C5	N2	C6	H7	179.8°	180.0°
C5	C10	C9	C7	179.1°	179.7°
C5	C10	C9	C8	179.4°	179.8°
C10	C5	N2	C6	0.1°	0.1°
C5	C10	C7	N4	179.5°	180.0°
C5	C10	C7	N3	0.4°	0.1°
C5	C10	C9	H10	0.6°	0.3°
C10	C9	C8	H10	180.0°	180.0°
C10	C9	C8	N4	0.4°	0.2°
C9	C10	C7	N4	0.1°	0.2°
C9	C10	C7	N3	179.8°	179.7°
C10	C9	C8	H9	179.6°	179.8°
C8	C9	C10	C7	0.3°	0.0°
C9	C8	N4	H9	180.0°	179.6°
C9	C8	N4	C7	0.3°	0.4°
C9	C8	N4	H8	179.7°	180.0°
N2	C6	N3	H7	180.0°	180.0°
N2	C6	N3	C7	0.2°	0.0°
C10	C7	N4	C8	0.1°	0.3°
C10	C7	N3	C6	0.2°	0.0°
C10	C7	N4	N3	179.9°	179.9°
C7	C10	C9	H10	179.7°	180.0°
C10	C7	N4	H8	179.9°	180.0°
C8	N4	C7	H8	180.0°	179.7°
C8	N4	C7	N3	180.0°	179.6°
N4	C8	C9	H10	179.6°	179.8°
C6	N3	C7	N4	179.7°	179.9°
C7	N4	C8	H9	179.7°	180.0°
C7	N3	C6	H7	179.8°	180.0°
N3	C7	N4	H8	0.0°	0.1°
H2	C1	H3	H1	119.9°	120.0°
H9	C8	C9	H10	0.4°	0.1°
H9	C8	N4	H8	0.3°	0.3°

Release date:	2026-11-04
Definition date:	2026-08-25
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15GH