A1AJH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.26Å
O1	C	sing	1.34Å	1.35Å
C	C1	sing	1.51Å	1.53Å
C1	C2	sing	1.55Å	1.54Å
C2	C3	sing	1.55Å	1.54Å
C3	C4	sing	1.50Å	1.52Å
C4	C5	sing	1.53Å	1.50Å
C5	C6	sing	1.46Å	1.51Å
C6	N	sing	1.50Å	1.46Å
C1	N	sing	1.43Å	1.47Å
N	C7	sing	1.35Å	1.34Å
C7	O2	doub	1.22Å	1.22Å
C8	C7	sing	1.48Å	1.50Å
C8	N1	doub	1.33Å	1.34Å	Aromatic
N1	C9	sing	1.32Å	1.33Å	Aromatic
C9	N2	doub	1.32Å	1.33Å	Aromatic
N2	C10	sing	1.33Å	1.33Å	Aromatic
C10	N3	sing	1.37Å	1.37Å	Aromatic
N3	C11	sing	1.37Å	1.37Å	Aromatic
C11	C12	doub	1.35Å	1.36Å	Aromatic
C12	C13	sing	1.46Å	1.43Å	Aromatic
C13	C8	sing	1.40Å	1.41Å	Aromatic
C10	C13	doub	1.42Å	1.40Å	Aromatic
N3	H	sing	0.97Å	1.00Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C12	H15	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	125.2°	119.9°
O	C	C1	118.7°	120.0°
O1	C	C1	116.1°	120.1°
C	O1	H1	109.5°	117.0°
C	C1	C2	116.8°	108.1°
C	C1	N	109.1°	108.2°
C	C1	H2	105.4°	107.9°
C1	C2	C3	116.3°	110.1°
C2	C1	N	113.3°	116.1°
C2	C1	H2	105.2°	108.1°
C1	C2	H4	107.7°	109.3°
C1	C2	H3	107.8°	109.4°
C2	C3	C4	119.2°	110.8°
C2	C3	H6	107.0°	109.2°
C2	C3	H5	107.0°	109.1°
C3	C2	H4	107.8°	109.4°
C3	C2	H3	107.7°	109.4°
C3	C4	C5	118.4°	105.5°
C3	C4	H8	107.2°	110.3°
C3	C4	H7	107.2°	110.4°
C4	C3	H6	107.0°	109.3°
C4	C3	H5	107.0°	109.2°
C4	C5	C6	118.7°	114.3°
C5	C4	H8	107.2°	110.2°
C5	C4	H7	107.2°	110.3°
C4	C5	H10	107.1°	108.5°
C4	C5	H9	107.1°	108.6°
C5	C6	N	113.6°	107.6°
C6	C5	H10	107.1°	108.5°
C6	C5	H9	107.1°	108.5°
C5	C6	H12	108.4°	109.9°
C5	C6	H11	108.4°	109.9°
C6	N	C1	119.6°	118.9°
C6	N	C7	119.3°	120.5°
N	C6	H12	108.5°	109.8°
N	C6	H11	108.4°	109.8°
C1	N	C7	120.9°	120.6°
N	C1	H2	106.0°	108.2°
N	C7	O2	121.9°	120.0°
N	C7	C8	119.4°	120.0°
O2	C7	C8	118.6°	120.0°
C7	C8	N1	111.6°	120.9°
C7	C8	C13	127.3°	120.9°
C8	N1	C9	116.9°	121.1°
N1	C8	C13	121.1°	118.2°
N1	C9	N2	128.7°	122.9°
N1	C9	H13	115.7°	118.6°
C9	N2	C10	113.1°	120.8°
N2	C9	H13	115.6°	118.5°
N2	C10	N3	126.2°	134.5°
N2	C10	C13	125.4°	118.5°
C10	N3	C11	108.0°	110.1°
N3	C10	C13	108.4°	107.0°
C10	N3	H	126.0°	125.0°
N3	C11	C12	110.3°	109.9°
C11	N3	H	126.0°	125.0°
N3	C11	H14	124.9°	125.0°
C11	C12	C13	106.7°	106.9°
C11	C12	H15	126.7°	126.6°
C12	C11	H14	124.9°	125.0°
C12	C13	C8	138.5°	135.3°
C12	C13	C10	106.6°	106.1°
C13	C12	H15	126.7°	126.5°
C8	C13	C10	114.8°	118.6°
H8	C4	H7	109.5°	110.1°
H10	C5	H9	109.5°	108.3°
H12	C6	H11	109.5°	109.9°
H6	C3	H5	109.5°	109.2°
H4	C2	H3	109.4°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	179.0°	180.0°
O	C	C1	C2	161.6°	155.8°
O	C	C1	N	31.5°	29.4°
O	C	C1	H2	82.0°	87.5°
O	C	O1	H1	0.0°	0.0°
O1	C	C1	C2	19.3°	24.2°
O1	C	C1	N	149.4°	150.7°
O1	C	C1	H2	97.1°	92.5°
C	C1	C2	N	128.1°	121.7°
C	C1	C2	H2	116.5°	116.5°
C	C1	C2	C3	62.1°	163.1°
C	C1	N	C6	45.1°	146.8°
C	C1	N	H2	113.1°	116.6°
C	C1	N	C7	131.1°	33.3°
C1	C	O1	H1	179.0°	180.0°
C	C1	C2	H4	58.9°	42.9°
C	C1	C2	H3	176.9°	76.7°
C1	C2	C3	H4	121.0°	120.2°
C1	C2	C3	H3	121.0°	120.2°
C1	C2	C3	C4	3.5°	38.9°
C2	C1	N	C6	86.9°	91.5°
C2	C1	N	H2	114.9°	121.7°
C2	C1	N	C7	96.9°	88.4°
C1	C2	C3	H6	117.9°	159.2°
C1	C2	C3	H5	124.9°	81.5°
C1	C2	H4	H3	116.9°	119.7°
C2	C3	C4	H6	121.4°	120.3°
C2	C3	C4	H5	121.4°	120.3°
C2	C3	C4	C5	59.4°	97.7°
C3	C2	C1	N	66.1°	41.4°
C2	C3	C4	H8	61.9°	21.3°
C2	C3	C4	H7	179.4°	143.3°
C3	C2	C1	H2	178.6°	80.4°
C2	C3	H6	H5	115.6°	119.2°
C3	C2	H4	H3	116.9°	119.7°
C3	C4	C5	H8	121.3°	119.0°
C3	C4	C5	H7	121.3°	119.2°
C3	C4	C5	C6	75.4°	89.4°
C3	C4	H8	H7	116.0°	122.1°
C3	C4	C5	H10	163.3°	31.9°
C3	C4	C5	H9	45.9°	149.3°
C4	C3	H6	H5	115.6°	119.4°
C4	C3	C2	H4	124.5°	159.0°
C4	C3	C2	H3	117.5°	81.4°
C4	C5	C6	H10	121.3°	121.3°
C4	C5	C6	H9	121.3°	121.3°
C4	C5	C6	N	55.1°	58.4°
C5	C4	H8	H7	116.0°	121.9°
C4	C5	H10	H9	115.9°	117.6°
C4	C5	C6	H12	65.5°	177.9°
C4	C5	C6	H11	175.7°	61.1°
C5	C4	C3	H6	179.3°	142.0°
C5	C4	C3	H5	62.0°	22.6°
C5	C6	N	H12	120.6°	119.5°
C5	C6	N	H11	120.6°	119.5°
C5	C6	N	C1	62.1°	70.4°
C5	C6	N	C7	121.6°	109.5°
C6	C5	C4	H8	45.9°	29.6°
C6	C5	C4	H7	163.4°	151.5°
C6	C5	H10	H9	115.8°	117.6°
C5	C6	H12	H11	118.1°	121.0°
C6	N	C1	C7	176.2°	180.0°
C6	N	C7	O2	25.9°	172.0°
C6	N	C7	C8	158.3°	8.1°
N	C6	C5	H10	176.4°	62.9°
N	C6	C5	H9	66.2°	179.7°
N	C6	H12	H11	118.1°	120.9°
C6	N	C1	H2	158.2°	30.2°
C1	N	C7	O2	157.9°	8.0°
C1	N	C7	C8	17.9°	171.9°
C1	N	C6	H12	58.5°	170.1°
C1	N	C6	H11	177.3°	49.1°
N	C1	C2	H4	172.9°	78.8°
N	C1	C2	H3	54.9°	161.6°
N	C7	O2	C8	175.9°	179.9°
N	C7	C8	N1	117.4°	7.4°
N	C7	C8	C13	66.0°	172.6°
C7	N	C6	H12	117.8°	10.0°
C7	N	C6	H11	1.0°	130.9°
C7	N	C1	H2	18.1°	149.9°
O2	C7	C8	N1	58.6°	172.6°
O2	C7	C8	C13	118.1°	7.5°
C7	C8	N1	C13	176.9°	180.0°
C7	C8	N1	C9	174.3°	179.9°
C7	C8	C13	C12	5.4°	0.0°
C7	C8	C13	C10	175.1°	179.9°
C8	N1	C9	N2	1.7°	0.0°
N1	C8	C13	C12	178.3°	180.0°
N1	C8	C13	C10	1.2°	0.0°
C8	N1	C9	H13	178.3°	180.0°
N1	C9	N2	H13	180.0°	180.0°
N1	C9	N2	C10	0.5°	0.1°
C9	N1	C8	C13	2.6°	0.0°
C9	N2	C10	N3	178.6°	180.0°
C9	N2	C10	C13	2.1°	0.1°
N2	C10	N3	C13	179.4°	179.9°
N2	C10	N3	C11	179.0°	180.0°
N2	C10	C13	C12	179.1°	180.0°
N2	C10	C13	C8	1.2°	0.1°
N2	C10	N3	H	0.9°	0.1°
C10	N2	C9	H13	179.5°	180.0°
C10	N3	C11	H	180.0°	180.0°
C10	N3	C11	C12	0.3°	0.0°
N3	C10	C13	C12	0.4°	0.1°
N3	C10	C13	C8	179.3°	180.0°
C10	N3	C11	H14	179.7°	179.9°
N3	C11	C12	H14	180.0°	179.9°
N3	C11	C12	C13	0.1°	0.0°
C11	N3	C10	C13	0.4°	0.0°
N3	C11	C12	H15	179.9°	180.0°
C11	C12	C13	H15	180.0°	179.9°
C11	C12	C13	C8	179.4°	180.0°
C11	C12	C13	C10	0.2°	0.1°
C12	C11	N3	H	179.7°	180.0°
C12	C13	C8	C10	179.5°	179.9°
C13	C12	C11	H14	179.9°	180.0°
C8	C13	C12	H15	0.6°	0.1°
C13	C10	N3	H	179.6°	180.0°
C10	C13	C12	H15	179.8°	180.0°
H	N3	C11	H14	0.3°	0.0°
H8	C4	C5	H10	75.4°	150.9°
H8	C4	C5	H9	167.2°	91.7°
H8	C4	C3	H6	59.4°	99.0°
H8	C4	C3	H5	176.7°	141.6°
H7	C4	C5	H10	42.1°	87.3°
H7	C4	C5	H9	75.3°	30.2°
H7	C4	C3	H6	58.0°	22.9°
H7	C4	C3	H5	59.2°	96.5°
H10	C5	C6	H12	55.8°	56.6°
H10	C5	C6	H11	63.0°	177.6°
H9	C5	C6	H12	173.1°	60.8°
H9	C5	C6	H11	54.4°	60.2°
H15	C12	C11	H14	0.0°	0.1°
H2	C1	C2	H4	57.6°	159.4°
H2	C1	C2	H3	60.4°	39.9°
H6	C3	C2	H4	3.1°	80.6°
H6	C3	C2	H3	121.1°	39.0°
H5	C3	C2	H4	114.2°	38.7°
H5	C3	C2	H3	3.8°	158.3°

Release date:	2024-05-15
Definition date:	2024-04-03
Last modified:	2024-05-10
Release status:	REL
Processing site:	RCSB
Derived from:	7GZ2