A1IDE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	N1	doub	1.33Å	1.34Å	Aromatic
C5	C4	sing	1.37Å	1.35Å	Aromatic
N2	N1	sing	1.40Å	1.31Å	Aromatic
N2	C6	sing	1.36Å	1.34Å	Aromatic
N1	C13	sing	1.34Å	1.35Å	Aromatic
C4	C3	doub	1.40Å	1.38Å	Aromatic
C6	C7	doub	1.36Å	1.40Å	Aromatic
C13	C7	sing	1.47Å	1.37Å	Aromatic
C13	N4	doub	1.33Å	1.31Å	Aromatic
C3	N4	sing	1.33Å	1.34Å	Aromatic
C3	C2	sing	1.48Å	1.40Å
C7	C8	sing	1.48Å	1.48Å
C14	C2	sing	1.41Å	1.40Å	Aromatic
C14	N5	doub	1.31Å	1.32Å	Aromatic
C2	C1	doub	1.37Å	1.38Å	Aromatic
C8	C12	doub	1.40Å	1.40Å	Aromatic
C8	C9	sing	1.40Å	1.40Å	Aromatic
N5	N	sing	1.40Å	1.35Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C1	N	sing	1.35Å	1.34Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
N	C	sing	1.47Å	1.46Å
C11	N3	doub	1.32Å	1.35Å	Aromatic
C10	N3	sing	1.32Å	1.34Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C4	H8	sing	1.08Å	1.08Å
C6	H9	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
C12	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C5	C4	116.8°	119.6°
C5	N1	N2	125.0°	131.2°
C5	N1	C13	121.1°	120.5°
N1	C5	H7	121.6°	120.2°
C5	C4	C3	120.2°	118.8°
C4	C5	H7	121.6°	120.2°
C5	C4	H8	119.9°	120.6°
N1	N2	C6	103.7°	109.4°
N2	N1	C13	113.8°	108.3°
N1	N2	H10	128.1°	125.3°
N2	C6	C7	112.6°	108.5°
N2	C6	H9	123.7°	125.7°
C6	N2	H10	128.1°	125.3°
N1	C13	C7	106.6°	106.9°
N1	C13	N4	123.6°	121.4°
C4	C3	N4	122.4°	119.1°
C4	C3	C2	125.1°	120.4°
C3	C4	H8	119.9°	120.6°
C6	C7	C13	103.2°	106.8°
C6	C7	C8	129.9°	126.6°
C7	C6	H9	123.7°	125.8°
C7	C13	N4	129.6°	131.7°
C13	C7	C8	126.8°	126.6°
C13	N4	C3	116.0°	120.6°
N4	C3	C2	112.6°	120.5°
C3	C2	C14	129.2°	126.3°
C3	C2	C1	126.1°	126.2°
C7	C8	C12	121.5°	120.9°
C7	C8	C9	120.0°	120.9°
C2	C14	N5	111.9°	108.1°
C14	C2	C1	104.5°	107.5°
C2	C14	H2	124.0°	126.0°
C14	N5	N	104.6°	108.5°
N5	C14	H2	124.1°	125.9°
C2	C1	N	106.9°	107.6°
C2	C1	H6	126.6°	126.2°
C12	C8	C9	118.4°	118.2°
C8	C12	C11	118.4°	119.0°
C8	C12	H11	120.8°	120.5°
C8	C9	C10	119.0°	119.0°
C8	C9	H13	120.5°	120.5°
N5	N	C1	112.2°	108.3°
N5	N	C	120.3°	125.9°
C12	C11	N3	123.4°	120.8°
C12	C11	H1	118.3°	119.6°
C11	C12	H11	120.8°	120.4°
C1	N	C	127.4°	125.8°
N	C1	H6	126.5°	126.2°
C9	C10	N3	123.4°	120.9°
C9	C10	H12	118.3°	119.5°
C10	C9	H13	120.5°	120.5°
N	C	H3	109.5°	109.5°
N	C	H4	109.4°	109.5°
N	C	H5	109.5°	109.5°
C11	N3	C10	117.4°	122.0°
N3	C11	H1	118.3°	119.5°
N3	C10	H12	118.3°	119.5°
H3	C	H4	109.5°	109.5°
H3	C	H5	109.5°	109.5°
H4	C	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C5	C4	H7	180.0°	179.9°
C5	N1	N2	C13	177.0°	180.0°
C5	N1	N2	C6	174.9°	179.7°
N1	C5	C4	C3	1.6°	0.1°
C5	N1	C13	C7	174.0°	180.0°
C5	N1	C13	N4	0.9°	0.3°
N1	C5	C4	H8	178.4°	180.0°
C5	N1	N2	H10	5.1°	0.1°
C4	C5	N1	N2	176.0°	180.0°
C4	C5	N1	C13	0.7°	0.1°
C5	C4	C3	H8	180.0°	179.9°
C5	C4	C3	N4	1.1°	0.0°
C5	C4	C3	C2	179.1°	179.8°
N1	N2	C6	H10	180.0°	179.7°
N1	N2	C6	C7	0.2°	0.4°
N2	N1	C13	C7	3.1°	0.0°
N2	N1	C13	N4	178.0°	179.7°
N2	N1	C5	H7	4.0°	0.0°
N1	N2	C6	H9	179.8°	180.0°
C6	N2	N1	C13	2.0°	0.3°
N2	C6	C7	H9	180.0°	179.6°
N2	C6	C7	C13	1.6°	0.4°
N2	C6	C7	C8	175.8°	179.5°
N1	C13	C7	C6	2.6°	0.3°
N1	C13	C7	N4	174.4°	179.7°
N1	C13	N4	C3	1.4°	0.3°
N1	C13	C7	C8	174.8°	179.7°
C13	N1	C5	H7	179.3°	180.0°
C13	N1	N2	H10	177.9°	179.9°
C4	C3	N4	C13	0.4°	0.2°
C4	C3	N4	C2	178.3°	179.8°
C4	C3	C2	C14	3.2°	5.2°
C4	C3	C2	C1	177.3°	174.9°
C3	C4	C5	H7	178.4°	179.8°
C6	C7	C13	C8	177.5°	180.0°
C6	C7	C13	N4	177.1°	179.9°
C6	C7	C8	C12	3.6°	50.0°
C6	C7	C8	C9	179.6°	129.4°
C7	C6	N2	H10	179.8°	179.9°
C7	C13	N4	C3	172.2°	180.0°
C13	C7	C8	C12	173.2°	130.0°
C13	C7	C8	C9	3.6°	50.5°
C13	C7	C6	H9	178.4°	180.0°
C13	N4	C3	C2	177.8°	180.0°
N4	C13	C7	C8	0.4°	0.0°
N4	C3	C2	C14	175.0°	175.0°
N4	C3	C2	C1	1.0°	5.0°
N4	C3	C4	H8	178.9°	180.0°
C3	C2	C14	C1	175.0°	180.0°
C3	C2	C14	N5	174.7°	180.0°
C3	C2	C1	N	174.6°	180.0°
C3	C2	C14	H2	5.3°	0.2°
C3	C2	C1	H6	5.4°	0.0°
C2	C3	C4	H8	0.9°	0.1°
C7	C8	C12	C9	176.9°	179.5°
C7	C8	C12	C11	175.5°	180.0°
C7	C8	C9	C10	175.5°	179.7°
C8	C7	C6	H9	4.2°	0.0°
C7	C8	C12	H11	4.5°	0.0°
C7	C8	C9	H13	4.5°	0.5°
C2	C14	N5	H2	180.0°	179.8°
C2	C14	N5	N	0.1°	0.0°
C14	C2	C1	N	0.7°	0.0°
C14	C2	C1	H6	179.3°	180.0°
N5	C14	C2	C1	0.3°	0.0°
C14	N5	N	C1	0.6°	0.0°
C14	N5	N	C	177.8°	180.0°
C2	C1	N	N5	0.8°	0.0°
C2	C1	N	H6	180.0°	180.0°
C2	C1	N	C	177.8°	180.0°
C1	C2	C14	H2	179.6°	179.8°
C8	C12	C11	H11	180.0°	180.0°
C12	C8	C9	C10	1.4°	0.8°
C8	C12	C11	N3	0.4°	0.0°
C8	C12	C11	H1	179.6°	179.7°
C12	C8	C9	H13	178.6°	180.0°
C9	C8	C12	C11	1.3°	0.5°
C8	C9	C10	H13	180.0°	179.2°
C8	C9	C10	N3	0.6°	0.5°
C9	C8	C12	H11	178.7°	179.5°
C8	C9	C10	H12	179.5°	179.5°
N5	N	C1	C	177.0°	179.9°
N	N5	C14	H2	179.9°	179.7°
N5	N	C	H3	0.0°	90.0°
N5	N	C	H4	120.0°	149.9°
N5	N	C	H5	120.0°	30.0°
N5	N	C1	H6	179.2°	180.0°
C12	C11	N3	H1	180.0°	179.7°
C12	C11	N3	C10	0.4°	0.3°
C1	N	C	H3	176.8°	90.0°
C1	N	C	H4	56.8°	30.0°
C1	N	C	H5	63.2°	150.0°
C9	C10	N3	C11	0.4°	0.1°
C9	C10	N3	H12	180.0°	180.0°
N	C	H3	H4	120.0°	120.0°
N	C	H3	H5	120.0°	120.0°
N	C	H4	H5	120.0°	120.0°
C	N	C1	H6	2.2°	0.0°
N3	C11	C12	H11	179.6°	180.0°
C11	N3	C10	H12	179.6°	180.0°
C10	N3	C11	H1	179.6°	180.0°
N3	C10	C9	H13	179.5°	179.7°
H1	C11	C12	H11	0.4°	0.2°
H3	C	H4	H5	120.0°	120.0°
H7	C5	C4	H8	1.6°	0.1°
H9	C6	N2	H10	0.2°	0.3°
H12	C10	C9	H13	0.5°	0.2°

Release date:	2024-10-16
Definition date:	2024-06-05
Last modified:	2024-10-11
Release status:	REL
Processing site:	PDBE
Derived from:	9FLR