A1AKF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
O1	C	sing	1.34Å	1.30Å
C	C1	sing	1.51Å	1.53Å
C1	C2	sing	1.53Å	1.54Å
N	C2	sing	1.47Å	1.44Å
C3	N	sing	1.35Å	1.33Å
O2	C3	doub	1.21Å	1.23Å
C4	C3	sing	1.48Å	1.48Å
C4	N1	doub	1.33Å	1.34Å	Aromatic
N1	C5	sing	1.32Å	1.33Å	Aromatic
C5	N2	doub	1.32Å	1.33Å	Aromatic
N2	C6	sing	1.33Å	1.34Å	Aromatic
C6	N3	sing	1.37Å	1.37Å	Aromatic
N3	C7	sing	1.37Å	1.37Å	Aromatic
C7	C8	doub	1.35Å	1.36Å	Aromatic
C8	C9	sing	1.46Å	1.42Å	Aromatic
C9	C4	sing	1.40Å	1.40Å	Aromatic
C6	C9	doub	1.42Å	1.40Å	Aromatic
C2	C10	sing	1.51Å	1.51Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.36Å	Aromatic
C13	F	sing	1.35Å	1.33Å
C14	C13	sing	1.38Å	1.36Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C10	C15	sing	1.38Å	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
C15	H12	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
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
N	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	O1	121.6°	120.0°
O	C	C1	124.0°	120.0°
O1	C	C1	114.3°	120.0°
C	O1	H2	109.5°	117.0°
C	C1	C2	111.0°	109.5°
C	C1	H3	109.1°	109.5°
C	C1	H4	109.1°	109.4°
C1	C2	N	108.4°	109.5°
C1	C2	C10	118.1°	109.5°
C1	C2	H	106.7°	109.5°
C2	C1	H3	109.1°	109.5°
C2	C1	H4	109.1°	109.5°
C2	N	C3	121.7°	120.0°
N	C2	C10	108.5°	109.5°
N	C2	H	107.8°	109.5°
C2	N	H5	119.1°	120.0°
N	C3	O2	123.3°	120.0°
N	C3	C4	114.5°	120.0°
C3	N	H5	119.1°	120.1°
O2	C3	C4	122.2°	120.0°
C3	C4	N1	115.7°	120.9°
C3	C4	C9	123.3°	120.9°
C4	N1	C5	117.4°	121.1°
N1	C4	C9	120.9°	118.2°
N1	C5	N2	128.3°	122.8°
N1	C5	H6	115.8°	118.6°
C5	N2	C6	112.7°	120.8°
N2	C5	H6	115.9°	118.6°
N2	C6	N3	125.9°	134.4°
N2	C6	C9	125.8°	118.5°
C6	N3	C7	108.0°	110.0°
N3	C6	C9	108.3°	107.1°
C6	N3	H1	126.0°	125.0°
N3	C7	C8	110.4°	109.9°
C7	N3	H1	126.0°	125.0°
N3	C7	H7	124.8°	125.1°
C7	C8	C9	106.6°	106.9°
C8	C7	H7	124.8°	125.0°
C7	C8	H8	126.7°	126.6°
C8	C9	C4	138.4°	135.3°
C8	C9	C6	106.7°	106.1°
C9	C8	H8	126.7°	126.5°
C4	C9	C6	114.9°	118.6°
C2	C10	C11	122.3°	120.0°
C2	C10	C15	118.9°	119.9°
C10	C2	H	107.0°	109.4°
C10	C11	C12	121.0°	120.0°
C11	C10	C15	118.4°	120.1°
C10	C11	H9	119.5°	120.0°
C11	C12	C13	118.2°	120.0°
C11	C12	H10	120.9°	120.0°
C12	C11	H9	119.5°	120.0°
C12	C13	F	118.7°	120.0°
C12	C13	C14	123.0°	120.0°
C13	C12	H10	120.9°	120.0°
F	C13	C14	117.8°	120.0°
C13	C14	C15	118.1°	120.0°
C13	C14	H11	120.9°	120.0°
C14	C15	C10	121.1°	120.0°
C14	C15	H12	119.5°	120.0°
C15	C14	H11	121.0°	120.0°
C10	C15	H12	119.5°	120.0°
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	177.4°	179.9°
O	C	C1	C2	84.6°	6.7°
O	C	C1	H3	155.1°	126.7°
O	C	C1	H4	35.6°	113.3°
O	C	O1	H2	0.0°	0.1°
O1	C	C1	C2	92.7°	173.2°
O1	C	C1	H3	27.5°	53.2°
O1	C	C1	H4	147.1°	66.8°
C	C1	C2	H3	120.2°	120.0°
C	C1	C2	H4	120.2°	119.9°
C	C1	C2	N	37.5°	173.4°
C	C1	C2	C10	161.3°	66.6°
C	C1	C2	H	78.3°	53.3°
C	C1	H3	H4	119.3°	120.0°
C1	C	O1	H2	177.4°	180.0°
C1	C2	N	C10	129.4°	120.0°
C1	C2	N	H	115.1°	120.0°
C1	C2	N	C3	137.9°	85.9°
C1	C2	C10	H	120.2°	120.0°
C1	C2	C10	C11	53.5°	100.0°
C1	C2	C10	C15	133.4°	79.8°
C2	C1	H3	H4	119.3°	120.0°
C1	C2	N	H5	42.1°	94.1°
C2	N	C3	H5	180.0°	180.0°
C2	N	C3	O2	8.3°	5.0°
C2	N	C3	C4	175.2°	175.0°
N	C2	C10	H	116.1°	120.0°
N	C2	C10	C11	70.2°	140.0°
N	C2	C10	C15	102.8°	40.3°
N	C2	C1	H3	82.7°	66.6°
N	C2	C1	H4	157.8°	53.4°
N	C3	O2	C4	176.3°	180.0°
N	C3	C4	N1	0.7°	0.0°
N	C3	C4	C9	176.0°	180.0°
C3	N	C2	C10	92.7°	154.1°
C3	N	C2	H	22.8°	34.1°
O2	C3	C4	N1	175.9°	180.0°
O2	C3	C4	C9	7.4°	0.0°
O2	C3	N	H5	171.7°	175.0°
C3	C4	N1	C9	176.8°	180.0°
C3	C4	N1	C5	175.5°	180.0°
C3	C4	C9	C8	3.3°	0.1°
C3	C4	C9	C6	176.0°	180.0°
C4	C3	N	H5	4.8°	5.0°
C4	N1	C5	N2	1.4°	0.0°
N1	C4	C9	C8	179.8°	179.9°
N1	C4	C9	C6	0.6°	0.0°
C4	N1	C5	H6	178.6°	179.9°
N1	C5	N2	H6	180.0°	180.0°
N1	C5	N2	C6	0.7°	0.0°
C5	N1	C4	C9	1.3°	0.0°
C5	N2	C6	N3	179.5°	179.9°
C5	N2	C6	C9	0.2°	0.0°
N2	C6	N3	C9	179.8°	179.9°
N2	C6	N3	C7	179.7°	179.9°
N2	C6	C9	C8	179.3°	179.9°
N2	C6	C9	C4	0.2°	0.0°
N2	C6	N3	H1	0.3°	0.1°
C6	N2	C5	H6	179.3°	180.0°
C6	N3	C7	H1	180.0°	179.9°
C6	N3	C7	C8	0.0°	0.0°
N3	C6	C9	C8	1.0°	0.0°
N3	C6	C9	C4	179.5°	179.9°
C6	N3	C7	H7	179.9°	180.0°
N3	C7	C8	H7	180.0°	180.0°
N3	C7	C8	C9	0.7°	0.0°
C7	N3	C6	C9	0.6°	0.0°
N3	C7	C8	H8	179.3°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C4	179.7°	179.9°
C7	C8	C9	C6	1.0°	0.0°
C8	C7	N3	H1	179.9°	180.0°
C8	C9	C4	C6	179.2°	179.9°
C9	C8	C7	H7	179.3°	180.0°
C4	C9	C8	H8	0.3°	0.1°
C9	C6	N3	H1	179.4°	179.9°
C6	C9	C8	H8	179.0°	180.0°
C2	C10	C11	C15	173.1°	179.8°
C2	C10	C11	C12	177.2°	179.7°
C2	C10	C15	C14	175.6°	179.8°
C2	C10	C15	H12	4.4°	0.2°
C2	C10	C11	H9	2.8°	0.2°
C10	C2	C1	H3	41.1°	53.4°
C10	C2	C1	H4	78.5°	173.5°
C10	C2	N	H5	87.3°	25.9°
C10	C11	C12	H9	180.0°	180.0°
C10	C11	C12	C13	1.8°	0.0°
C11	C10	C15	C14	2.2°	0.0°
C11	C10	C15	H12	177.7°	180.0°
C10	C11	C12	H10	178.2°	179.9°
C11	C10	C2	H	173.7°	19.9°
C11	C12	C13	H10	180.0°	179.9°
C11	C12	C13	F	169.7°	179.9°
C11	C12	C13	C14	2.6°	0.0°
C12	C11	C10	C15	4.1°	0.0°
C12	C13	F	C14	172.8°	179.9°
C12	C13	C14	C15	4.5°	0.1°
C13	C12	C11	H9	178.2°	180.0°
C12	C13	C14	H11	175.6°	179.9°
F	C13	C14	C15	168.0°	180.0°
F	C13	C12	H10	10.3°	0.2°
F	C13	C14	H11	12.0°	0.2°
C13	C14	C15	H11	180.0°	179.8°
C13	C14	C15	C10	1.9°	0.1°
C13	C14	C15	H12	178.1°	179.9°
C14	C13	C12	H10	177.4°	180.0°
C14	C15	C10	H12	180.0°	180.0°
C15	C10	C11	H9	175.9°	180.0°
C10	C15	C14	H11	178.1°	179.9°
C15	C10	C2	H	13.2°	160.3°
H1	N3	C7	H7	0.1°	0.1°
H7	C7	C8	H8	0.7°	0.0°
H12	C15	C14	H11	1.9°	0.1°
H10	C12	C11	H9	1.8°	0.0°
H	C2	C1	H3	161.5°	173.4°
H	C2	C1	H4	41.9°	66.6°
H	C2	N	H5	157.2°	145.9°

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