A1AKG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.21Å
O1	C	sing	1.34Å	1.31Å
C	C1	sing	1.51Å	1.51Å
C1	C2	sing	1.53Å	1.56Å
C2	N	sing	1.47Å	1.47Å
N	C3	sing	1.35Å	1.36Å
C3	O2	doub	1.22Å	1.24Å
C4	C3	sing	1.48Å	1.51Å
C4	N1	doub	1.33Å	1.36Å	Aromatic
N1	C5	sing	1.32Å	1.33Å	Aromatic
C5	N2	doub	1.32Å	1.34Å	Aromatic
N2	C6	sing	1.33Å	1.34Å	Aromatic
C6	N3	sing	1.37Å	1.37Å	Aromatic
N3	C7	sing	1.37Å	1.38Å	Aromatic
C7	C8	doub	1.34Å	1.36Å	Aromatic
C8	C9	sing	1.46Å	1.43Å	Aromatic
C9	C4	sing	1.40Å	1.40Å	Aromatic
C6	C9	doub	1.42Å	1.40Å	Aromatic
C10	C2	sing	1.51Å	1.53Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C12	N4	doub	1.32Å	1.34Å	Aromatic
N4	C13	sing	1.32Å	1.33Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C14	C10	sing	1.39Å	1.39Å	Aromatic
N3	H1	sing	0.97Å	1.00Å
C5	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
N	H5	sing	0.97Å	1.00Å
C2	H	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
O1	H2	sing	0.97Å	0.95Å
C14	H12	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	122.9°	120.0°
O	C	C1	122.6°	120.0°
O1	C	C1	114.3°	120.0°
C	O1	H2	109.5°	117.0°
C	C1	C2	110.3°	109.5°
C	C1	H3	109.3°	109.5°
C	C1	H4	109.2°	109.5°
C1	C2	N	105.2°	109.5°
C1	C2	C10	109.5°	109.4°
C1	C2	H	109.0°	109.5°
C2	C1	H3	109.3°	109.5°
C2	C1	H4	109.3°	109.5°
C2	N	C3	125.7°	120.0°
N	C2	C10	113.3°	109.5°
C2	N	H5	117.2°	120.0°
N	C2	H	110.2°	109.5°
N	C3	O2	123.6°	120.0°
N	C3	C4	113.9°	120.0°
C3	N	H5	117.2°	120.0°
O2	C3	C4	121.3°	120.0°
C3	C4	N1	117.0°	120.9°
C3	C4	C9	122.4°	120.9°
C4	N1	C5	117.6°	121.1°
N1	C4	C9	120.0°	118.2°
N1	C5	N2	128.7°	122.8°
N1	C5	H6	115.7°	118.6°
C5	N2	C6	112.2°	120.8°
N2	C5	H6	115.7°	118.6°
N2	C6	N3	125.7°	134.5°
N2	C6	C9	126.0°	118.5°
C6	N3	C7	108.0°	110.0°
N3	C6	C9	108.3°	107.0°
C6	N3	H1	126.0°	125.0°
N3	C7	C8	110.3°	110.0°
C7	N3	H1	126.0°	124.9°
N3	C7	H7	124.8°	125.0°
C7	C8	C9	106.6°	106.9°
C8	C7	H7	124.8°	125.0°
C7	C8	H8	126.7°	126.6°
C8	C9	C4	137.7°	135.3°
C8	C9	C6	106.8°	106.1°
C9	C8	H8	126.7°	126.5°
C4	C9	C6	115.4°	118.6°
C2	C10	C11	122.4°	120.8°
C2	C10	C14	120.1°	120.8°
C10	C2	H	109.5°	109.5°
C10	C11	C12	119.1°	119.1°
C11	C10	C14	117.5°	118.5°
C10	C11	H9	120.4°	120.5°
C11	C12	N4	123.9°	120.8°
C11	C12	H10	118.0°	119.6°
C12	C11	H9	120.5°	120.4°
C12	N4	C13	116.6°	121.7°
N4	C12	H10	118.0°	119.6°
N4	C13	C14	123.6°	120.8°
N4	C13	H11	118.2°	119.6°
C13	C14	C10	119.3°	119.1°
C14	C13	H11	118.2°	119.6°
C13	C14	H12	120.4°	120.4°
C10	C14	H12	120.4°	120.4°
H3	C1	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	O1	C1	175.0°	180.0°
O	C	C1	C2	82.6°	5.5°
O	C	C1	H3	37.5°	125.6°
O	C	C1	H4	157.3°	114.5°
O	C	O1	H2	0.0°	0.0°
O1	C	C1	C2	92.4°	174.5°
O1	C	C1	H3	147.4°	54.5°
O1	C	C1	H4	27.7°	65.5°
C	C1	C2	H3	120.1°	120.0°
C	C1	C2	H4	120.1°	120.0°
C	C1	C2	N	47.7°	65.6°
C	C1	C2	C10	74.3°	174.4°
C	C1	C2	H	165.9°	54.4°
C	C1	H3	H4	119.6°	120.0°
C1	C	O1	H2	175.0°	180.0°
C1	C2	N	C10	119.6°	120.0°
C1	C2	N	H	117.4°	120.0°
C1	C2	N	C3	166.9°	158.8°
C1	C2	C10	H	119.4°	120.0°
C1	C2	C10	C11	118.1°	100.0°
C1	C2	C10	C14	61.8°	80.3°
C1	C2	N	H5	13.1°	21.3°
C2	C1	H3	H4	119.6°	120.0°
C2	N	C3	H5	180.0°	179.9°
C2	N	C3	O2	0.2°	4.9°
C2	N	C3	C4	167.5°	175.1°
N	C2	C10	H	123.5°	120.0°
N	C2	C10	C11	1.0°	140.0°
N	C2	C10	C14	178.9°	39.7°
N	C2	C1	H3	72.4°	54.4°
N	C2	C1	H4	167.9°	174.4°
N	C3	O2	C4	166.7°	180.0°
N	C3	C4	N1	25.6°	0.0°
N	C3	C4	C9	145.8°	180.0°
C3	N	C2	C10	73.5°	81.3°
C3	N	C2	H	49.6°	38.8°
O2	C3	C4	N1	166.5°	180.0°
O2	C3	C4	C9	22.2°	0.0°
O2	C3	N	H5	179.8°	175.1°
C3	C4	N1	C9	171.6°	180.0°
C3	C4	N1	C5	172.0°	180.0°
C3	C4	C9	C8	8.7°	0.0°
C3	C4	C9	C6	170.2°	180.0°
C4	C3	N	H5	12.6°	4.9°
C4	N1	C5	N2	2.6°	0.0°
N1	C4	C9	C8	179.9°	180.0°
N1	C4	C9	C6	1.0°	0.0°
C4	N1	C5	H6	177.3°	180.0°
N1	C5	N2	H6	180.0°	180.0°
N1	C5	N2	C6	2.9°	0.0°
C5	N1	C4	C9	0.4°	0.0°
C5	N2	C6	N3	179.5°	180.0°
C5	N2	C6	C9	1.1°	0.0°
N2	C6	N3	C9	179.4°	179.9°
N2	C6	N3	C7	178.9°	180.0°
N2	C6	C9	C8	179.8°	180.0°
N2	C6	C9	C4	0.6°	0.0°
N2	C6	N3	H1	1.1°	0.1°
C6	N2	C5	H6	177.1°	180.0°
C6	N3	C7	H1	180.0°	179.9°
C6	N3	C7	C8	1.3°	0.0°
N3	C6	C9	C8	0.4°	0.0°
N3	C6	C9	C4	178.8°	180.0°
C6	N3	C7	H7	178.7°	180.0°
N3	C7	C8	H7	180.0°	180.0°
N3	C7	C8	C9	1.5°	0.0°
C7	N3	C6	C9	0.5°	0.0°
N3	C7	C8	H8	178.5°	179.9°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C4	177.8°	180.0°
C7	C8	C9	C6	1.2°	0.0°
C8	C7	N3	H1	178.7°	180.0°
C8	C9	C4	C6	178.9°	180.0°
C9	C8	C7	H7	178.5°	180.0°
C4	C9	C8	H8	2.2°	0.0°
C9	C6	N3	H1	179.5°	180.0°
C6	C9	C8	H8	178.9°	179.9°
C2	C10	C11	C14	179.9°	179.7°
C2	C10	C11	C12	178.4°	180.0°
C2	C10	C14	C13	177.5°	180.0°
C10	C2	N	H5	106.5°	98.7°
C10	C2	C1	H3	165.5°	65.6°
C10	C2	C1	H4	45.8°	54.4°
C2	C10	C14	H12	2.5°	0.1°
C2	C10	C11	H9	1.6°	0.0°
C10	C11	C12	H9	180.0°	179.9°
C10	C11	C12	N4	0.1°	0.0°
C11	C10	C14	C13	2.6°	0.3°
C11	C10	C2	H	122.5°	20.0°
C11	C10	C14	H12	177.4°	179.7°
C10	C11	C12	H10	179.9°	179.7°
C11	C12	N4	H10	180.0°	179.7°
C11	C12	N4	C13	0.4°	0.4°
C12	C11	C10	C14	1.7°	0.3°
C12	N4	C13	C14	0.6°	0.4°
C12	N4	C13	H11	179.4°	179.7°
N4	C12	C11	H9	179.8°	180.0°
N4	C13	C14	H11	180.0°	179.9°
N4	C13	C14	C10	2.2°	0.0°
N4	C13	C14	H12	177.8°	179.9°
C13	N4	C12	H10	179.6°	180.0°
C13	C14	C10	H12	180.0°	179.9°
C10	C14	C13	H11	177.8°	180.0°
C14	C10	C2	H	57.6°	159.7°
C14	C10	C11	H9	178.3°	179.6°
H1	N3	C7	H7	1.3°	0.0°
H7	C7	C8	H8	1.5°	0.0°
H11	C13	C14	H12	2.2°	0.0°
H5	N	C2	H	130.4°	141.3°
H	C2	C1	H3	45.8°	174.4°
H	C2	C1	H4	73.9°	65.6°
H10	C12	C11	H9	0.1°	0.4°

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