A1AJL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	1.43Å
O	C1	sing	1.43Å	1.43Å
C2	C1	sing	1.51Å	1.53Å
O1	C2	doub	1.21Å	1.21Å
O2	C2	sing	1.34Å	1.30Å
C1	C3	sing	1.55Å	1.52Å
C3	C4	sing	1.54Å	1.52Å
C4	N	sing	1.47Å	1.48Å
N	C5	sing	1.35Å	1.35Å
C5	O3	doub	1.22Å	1.23Å
C6	C5	sing	1.48Å	1.51Å
C6	N1	doub	1.33Å	1.35Å	Aromatic
N1	C7	sing	1.32Å	1.34Å	Aromatic
C7	N2	doub	1.32Å	1.33Å	Aromatic
N2	C8	sing	1.33Å	1.34Å	Aromatic
C8	N3	sing	1.37Å	1.36Å	Aromatic
N3	C9	sing	1.37Å	1.37Å	Aromatic
C9	C10	doub	1.35Å	1.36Å	Aromatic
C10	C11	sing	1.46Å	1.42Å	Aromatic
C11	C6	sing	1.40Å	1.41Å	Aromatic
C8	C11	doub	1.42Å	1.40Å	Aromatic
C12	N	sing	1.47Å	1.46Å
C1	C12	sing	1.55Å	1.54Å
N3	H	sing	0.97Å	1.00Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
O2	H4	sing	0.97Å	0.95Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	O	C1	116.2°	114.0°
O	C	H2	109.5°	109.5°
O	C	H1	109.5°	109.5°
O	C	H3	109.5°	109.5°
O	C1	C2	107.3°	110.9°
O	C1	C3	109.8°	111.0°
O	C1	C12	111.1°	111.0°
C1	C2	O1	118.3°	120.0°
C1	C2	O2	118.7°	120.0°
C2	C1	C3	114.4°	111.0°
C2	C1	C12	113.4°	111.0°
O1	C2	O2	122.9°	120.0°
C2	O2	H4	109.5°	117.0°
C1	C3	C4	103.7°	102.9°
C3	C1	C12	100.9°	101.6°
C1	C3	H5	110.9°	110.7°
C1	C3	H6	110.9°	110.9°
C3	C4	N	104.0°	107.3°
C3	C4	H7	110.8°	109.9°
C3	C4	H8	110.8°	110.1°
C4	C3	H5	110.9°	110.7°
C4	C3	H6	110.9°	110.7°
C4	N	C5	123.6°	125.6°
C4	N	C12	110.3°	108.7°
N	C4	H7	110.8°	109.8°
N	C4	H8	110.8°	109.9°
N	C5	O3	122.3°	120.0°
N	C5	C6	118.9°	120.0°
C5	N	C12	125.9°	125.7°
O3	C5	C6	118.7°	120.0°
C5	C6	N1	117.2°	120.9°
C5	C6	C11	122.0°	120.9°
C6	N1	C7	117.0°	121.1°
N1	C6	C11	120.8°	118.2°
N1	C7	N2	128.7°	122.9°
N1	C7	H9	115.7°	118.6°
C7	N2	C8	112.9°	120.8°
N2	C7	H9	115.7°	118.6°
N2	C8	N3	126.2°	134.5°
N2	C8	C11	125.5°	118.5°
C8	N3	C9	108.0°	110.1°
N3	C8	C11	108.3°	107.0°
C8	N3	H	126.0°	125.0°
N3	C9	C10	110.3°	109.9°
C9	N3	H	126.0°	125.0°
N3	C9	H10	124.8°	125.0°
C9	C10	C11	106.7°	106.9°
C9	C10	H11	126.7°	126.6°
C10	C9	H10	124.9°	125.0°
C10	C11	C6	138.1°	135.3°
C10	C11	C8	106.7°	106.1°
C11	C10	H11	126.7°	126.6°
C6	C11	C8	115.2°	118.5°
N	C12	C1	101.4°	104.8°
N	C12	H12	111.4°	110.3°
N	C12	H13	111.5°	110.4°
C1	C12	H12	111.4°	110.4°
C1	C12	H13	111.5°	110.5°
H7	C4	H8	109.5°	109.9°
H5	C3	H6	109.5°	110.7°
H12	C12	H13	109.5°	110.3°
H2	C	H1	109.5°	109.5°
H2	C	H3	109.5°	109.5°
H1	C	H3	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	O	C1	C2	59.4°	60.9°
C	O	C1	C3	175.7°	63.0°
C	O	C1	C12	65.0°	175.2°
O	C	H2	H1	120.0°	120.1°
O	C	H2	H3	120.0°	120.0°
O	C	H1	H3	120.0°	120.0°
O	C1	C2	C3	122.1°	123.8°
O	C1	C2	C12	123.0°	123.9°
O	C1	C2	O1	75.3°	148.1°
O	C1	C2	O2	100.7°	32.0°
O	C1	C3	C12	117.3°	118.1°
O	C1	C3	C4	158.5°	82.6°
O	C1	C12	N	158.8°	81.1°
O	C1	C3	H5	39.4°	159.1°
O	C1	C3	H6	82.4°	35.8°
O	C1	C12	H12	40.1°	37.7°
O	C1	C12	H13	82.5°	160.0°
C1	O	C	H2	180.0°	53.9°
C1	O	C	H1	60.0°	66.1°
C1	O	C	H3	60.0°	173.9°
C1	C2	O1	O2	175.9°	179.9°
C2	C1	C3	C12	122.0°	118.1°
C2	C1	C3	C4	80.8°	153.6°
C2	C1	C12	N	80.3°	155.1°
C2	C1	C3	H5	160.1°	35.3°
C2	C1	C3	H6	38.3°	88.0°
C2	C1	C12	H12	161.0°	86.1°
C2	C1	C12	H13	38.4°	36.2°
C1	C2	O2	H4	175.9°	180.0°
O1	C2	C1	C3	46.7°	24.2°
O1	C2	C1	C12	161.7°	88.0°
O1	C2	O2	H4	0.0°	0.1°
O2	C2	C1	C3	137.2°	155.9°
O2	C2	C1	C12	22.3°	91.9°
C1	C3	C4	H5	119.1°	118.3°
C1	C3	C4	H6	119.1°	118.6°
C1	C3	C4	N	24.1°	22.2°
C3	C1	C12	N	42.5°	37.0°
C1	C3	C4	H7	143.2°	141.5°
C1	C3	C4	H8	95.1°	97.3°
C1	C3	H5	H6	122.7°	123.4°
C3	C1	C12	H12	76.2°	155.8°
C3	C1	C12	H13	161.2°	81.9°
C3	C4	N	H7	119.1°	119.4°
C3	C4	N	H8	119.1°	119.6°
C3	C4	N	C5	171.6°	178.9°
C3	C4	N	C12	3.4°	1.0°
C4	C3	C1	C12	41.2°	35.5°
C3	C4	H7	H8	122.6°	121.3°
C4	C3	H5	H6	122.6°	123.1°
C4	N	C5	C12	174.1°	180.0°
C4	N	C5	O3	175.9°	180.0°
C4	N	C5	C6	0.1°	0.0°
C4	N	C12	C1	28.9°	24.1°
N	C4	H7	H8	122.6°	121.0°
N	C4	C3	H5	95.0°	96.1°
N	C4	C3	H6	143.2°	140.8°
C4	N	C12	H12	89.8°	143.0°
C4	N	C12	H13	147.6°	94.9°
N	C5	O3	C6	176.0°	180.0°
N	C5	C6	N1	55.3°	0.0°
N	C5	C6	C11	123.9°	180.0°
C5	N	C12	C1	145.9°	155.9°
C5	N	C4	H7	69.3°	61.7°
C5	N	C4	H8	52.4°	59.3°
C5	N	C12	H12	95.4°	37.0°
C5	N	C12	H13	27.2°	85.1°
O3	C5	C6	N1	128.6°	179.9°
O3	C5	C6	C11	52.2°	0.0°
O3	C5	N	C12	1.8°	0.0°
C5	C6	N1	C11	179.2°	180.0°
C5	C6	N1	C7	178.3°	179.9°
C5	C6	C11	C10	2.7°	0.1°
C5	C6	C11	C8	178.0°	180.0°
C6	C5	N	C12	174.2°	180.0°
C6	N1	C7	N2	0.5°	0.1°
N1	C6	C11	C10	178.1°	179.9°
N1	C6	C11	C8	1.1°	0.0°
C6	N1	C7	H9	179.5°	180.0°
N1	C7	N2	H9	180.0°	179.9°
N1	C7	N2	C8	1.4°	0.1°
C7	N1	C6	C11	0.9°	0.1°
C7	N2	C8	N3	177.8°	180.0°
C7	N2	C8	C11	1.0°	0.0°
N2	C8	N3	C11	179.0°	180.0°
N2	C8	N3	C9	179.2°	179.9°
N2	C8	C11	C10	179.3°	180.0°
N2	C8	C11	C6	0.2°	0.0°
N2	C8	N3	H	0.8°	0.0°
C8	N2	C7	H9	178.6°	179.9°
C8	N3	C9	H	180.0°	180.0°
C8	N3	C9	C10	0.1°	0.0°
N3	C8	C11	C10	0.3°	0.0°
N3	C8	C11	C6	179.2°	180.0°
C8	N3	C9	H10	179.9°	180.0°
N3	C9	C10	H10	180.0°	180.0°
N3	C9	C10	C11	0.1°	0.0°
C9	N3	C8	C11	0.3°	0.0°
N3	C9	C10	H11	179.9°	180.0°
C9	C10	C11	H11	180.0°	180.0°
C9	C10	C11	C6	179.0°	180.0°
C9	C10	C11	C8	0.3°	0.0°
C10	C9	N3	H	179.9°	180.0°
C10	C11	C6	C8	179.2°	179.9°
C11	C10	C9	H10	179.9°	180.0°
C6	C11	C10	H11	1.0°	0.1°
C11	C8	N3	H	179.8°	180.0°
C8	C11	C10	H11	179.7°	180.0°
N	C12	C1	H12	118.7°	118.8°
N	C12	C1	H13	118.7°	118.9°
C12	N	C4	H7	115.8°	118.4°
C12	N	C4	H8	122.5°	120.6°
N	C12	H12	H13	123.7°	122.2°
C12	C1	C3	H5	77.9°	82.8°
C12	C1	C3	H6	160.3°	153.9°
C1	C12	H12	H13	123.8°	122.4°
H	N3	C9	H10	0.1°	0.0°
H7	C4	C3	H5	24.1°	23.2°
H7	C4	C3	H6	97.7°	99.9°
H8	C4	C3	H5	145.8°	144.4°
H8	C4	C3	H6	24.0°	21.3°
H11	C10	C9	H10	0.1°	0.0°
H2	C	H1	H3	120.0°	120.0°

Release date:	2024-05-15
Definition date:	2024-04-03
Last modified:	2024-05-10
Release status:	REL
Processing site:	RCSB
Derived from:	7GZ6