A1JWK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.53Å
C8	C10	sing	1.51Å	1.52Å
C8	N2	sing	1.46Å	1.47Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C10	C15	sing	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
N2	C7	sing	1.35Å	1.34Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
O1	C7	doub	1.22Å	1.23Å
C7	C6	sing	1.48Å	1.51Å
C6	N1	doub	1.32Å	1.35Å	Aromatic
C6	C5	sing	1.40Å	1.39Å	Aromatic
N1	C2	sing	1.32Å	1.34Å	Aromatic
N	C	sing	1.47Å	1.45Å
N	C1	sing	1.35Å	1.33Å
C5	C4	doub	1.39Å	1.38Å	Aromatic
C2	C1	sing	1.48Å	1.51Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C1	O	doub	1.21Å	1.23Å
C4	C3	sing	1.39Å	1.38Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.08Å	1.08Å
N	H13	sing	0.97Å	1.00Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
N2	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C10	113.1°	109.5°
C9	C8	N2	110.1°	109.5°
C9	C8	H2	107.2°	109.5°
C8	C9	H3	109.5°	109.4°
C8	C9	H4	109.5°	109.5°
C8	C9	H5	109.5°	109.5°
C10	C8	N2	110.9°	109.5°
C8	C10	C11	120.8°	120.0°
C8	C10	C15	120.5°	119.9°
C10	C8	H2	107.3°	109.5°
C8	N2	C7	121.5°	120.0°
N2	C8	H2	107.9°	109.4°
C8	N2	H17	119.3°	120.0°
C11	C10	C15	118.5°	120.0°
C10	C11	C12	120.6°	120.0°
C10	C11	H6	119.7°	120.0°
C10	C15	C14	120.7°	120.0°
C10	C15	H10	119.6°	120.0°
C11	C12	C13	120.2°	120.0°
C12	C11	H6	119.7°	120.0°
C11	C12	H7	119.9°	120.0°
C15	C14	C13	120.3°	120.0°
C15	C14	H9	119.8°	120.0°
C14	C15	H10	119.6°	120.0°
N2	C7	O1	122.3°	120.0°
N2	C7	C6	116.7°	120.0°
C7	N2	H17	119.2°	120.0°
C12	C13	C14	119.6°	120.0°
C13	C12	H7	120.0°	120.0°
C12	C13	H8	120.2°	120.0°
C14	C13	H8	120.2°	120.0°
C13	C14	H9	119.9°	120.0°
O1	C7	C6	121.0°	120.0°
C7	C6	N1	117.8°	119.6°
C7	C6	C5	119.2°	119.7°
N1	C6	C5	123.0°	120.7°
C6	N1	C2	117.7°	121.5°
C6	C5	C4	118.4°	119.2°
C6	C5	H11	120.8°	120.3°
N1	C2	C1	117.7°	119.7°
N1	C2	C3	122.8°	120.7°
C	N	C1	121.8°	120.0°
C	N	H13	119.1°	120.0°
N	C	H14	109.5°	109.4°
N	C	H15	109.5°	109.5°
N	C	H16	109.4°	109.5°
N	C1	C2	115.9°	120.0°
N	C1	O	122.8°	120.0°
C1	N	H13	119.1°	120.0°
C5	C4	C3	119.4°	118.6°
C4	C5	H11	120.8°	120.4°
C5	C4	H12	120.3°	120.7°
C1	C2	C3	119.2°	119.7°
C2	C1	O	121.3°	120.0°
C2	C3	C4	118.5°	119.3°
C2	C3	H1	120.7°	120.3°
C4	C3	H1	120.7°	120.4°
C3	C4	H12	120.3°	120.7°
H3	C9	H4	109.4°	109.5°
H3	C9	H5	109.5°	109.5°
H4	C9	H5	109.5°	109.5°
H14	C	H15	109.5°	109.5°
H14	C	H16	109.5°	109.5°
H15	C	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C10	N2	124.2°	120.0°
C9	C8	C10	H2	118.1°	120.0°
C9	C8	N2	H2	116.8°	120.0°
C9	C8	C10	C11	45.5°	100.0°
C9	C8	C10	C15	138.5°	80.3°
C9	C8	N2	C7	149.1°	84.9°
C8	C9	H3	H4	120.0°	120.0°
C8	C9	H3	H5	120.0°	119.9°
C8	C9	H4	H5	120.0°	120.0°
C9	C8	N2	H17	30.9°	95.0°
C10	C8	N2	H2	117.3°	120.0°
C8	C10	C11	C15	176.1°	179.7°
C8	C10	C11	C12	177.6°	180.0°
C8	C10	C15	C14	178.6°	179.8°
C10	C8	N2	C7	84.9°	155.0°
C10	C8	C9	H3	180.0°	60.0°
C10	C8	C9	H4	60.0°	180.0°
C10	C8	C9	H5	60.0°	60.0°
C8	C10	C11	H6	2.3°	0.1°
C8	C10	C15	H10	1.4°	0.0°
C10	C8	N2	H17	95.0°	25.1°
N2	C8	C10	C11	78.7°	140.0°
N2	C8	C10	C15	97.3°	39.8°
C8	N2	C7	H17	180.0°	179.9°
C8	N2	C7	O1	11.3°	0.0°
C8	N2	C7	C6	169.7°	180.0°
N2	C8	C9	H3	55.4°	60.0°
N2	C8	C9	H4	175.3°	60.0°
N2	C8	C9	H5	64.6°	180.0°
C10	C11	C12	H6	180.0°	179.9°
C11	C10	C15	C14	2.5°	0.5°
C10	C11	C12	C13	0.8°	0.1°
C11	C10	C8	H2	163.6°	20.0°
C10	C11	C12	H7	179.1°	180.0°
C11	C10	C15	H10	177.5°	179.7°
C15	C10	C11	C12	1.6°	0.3°
C10	C15	C14	H10	180.0°	179.8°
C10	C15	C14	C13	2.7°	0.4°
C15	C10	C8	H2	20.4°	159.7°
C15	C10	C11	H6	178.4°	179.8°
C10	C15	C14	H9	177.2°	179.7°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	C14	1.0°	0.0°
C11	C12	C13	H8	179.0°	180.0°
C15	C14	C13	C12	2.0°	0.2°
C15	C14	C13	H9	180.0°	179.9°
C15	C14	C13	H8	178.0°	179.9°
N2	C7	O1	C6	179.0°	179.9°
N2	C7	C6	N1	4.8°	0.1°
N2	C7	C6	C5	173.2°	180.0°
C7	N2	C8	H2	32.4°	35.0°
C12	C13	C14	H8	180.0°	180.0°
C13	C12	C11	H6	179.1°	180.0°
C12	C13	C14	H9	178.0°	180.0°
C14	C13	C12	H7	178.9°	180.0°
C13	C14	C15	H10	177.2°	179.7°
O1	C7	C6	N1	176.1°	180.0°
O1	C7	C6	C5	5.8°	0.1°
O1	C7	N2	H17	168.7°	180.0°
C7	C6	N1	C5	178.0°	179.9°
C7	C6	N1	C2	177.8°	180.0°
C7	C6	C5	C4	179.9°	179.8°
C7	C6	C5	H11	0.1°	0.1°
C6	C7	N2	H17	10.3°	0.1°
N1	C6	C5	C4	1.9°	0.3°
C6	N1	C2	C1	176.6°	180.0°
C6	N1	C2	C3	2.8°	0.2°
N1	C6	C5	H11	178.1°	180.0°
C5	C6	N1	C2	0.2°	0.1°
C6	C5	C4	H11	180.0°	179.7°
C6	C5	C4	C3	1.4°	0.3°
C6	C5	C4	H12	178.6°	179.8°
N1	C2	C1	N	10.2°	0.5°
N1	C2	C1	C3	174.0°	179.8°
N1	C2	C1	O	168.0°	179.8°
N1	C2	C3	C4	3.3°	0.2°
N1	C2	C3	H1	176.7°	179.8°
C	N	C1	H13	180.0°	180.0°
C	N	C1	C2	179.7°	179.7°
C	N	C1	O	1.4°	0.0°
N	C	H14	H15	120.0°	120.0°
N	C	H14	H16	120.0°	120.0°
N	C	H15	H16	119.9°	120.0°
N	C1	C2	O	178.3°	179.7°
N	C1	C2	C3	175.7°	179.7°
C1	N	C	H14	180.0°	179.9°
C1	N	C	H15	60.0°	60.0°
C1	N	C	H16	60.0°	60.0°
C5	C4	C3	C2	1.0°	0.1°
C5	C4	C3	H12	180.0°	179.9°
C5	C4	C3	H1	179.0°	180.0°
C1	C2	C3	C4	177.0°	180.0°
C1	C2	C3	H1	3.0°	0.0°
C2	C1	N	H13	0.3°	0.3°
C3	C2	C1	O	6.0°	0.0°
C2	C3	C4	H1	180.0°	180.0°
C2	C3	C4	H12	179.0°	180.0°
O	C1	N	H13	178.6°	180.0°
C3	C4	C5	H11	178.6°	180.0°
H1	C3	C4	H12	1.0°	0.1°
H2	C8	C9	H3	61.8°	180.0°
H2	C8	C9	H4	58.1°	60.0°
H2	C8	C9	H5	178.2°	60.1°
H2	C8	N2	H17	147.6°	145.0°
H3	C9	H4	H5	120.0°	120.0°
H6	C11	C12	H7	0.9°	0.1°
H7	C12	C13	H8	1.1°	0.0°
H8	C13	C14	H9	2.0°	0.0°
H9	C14	C15	H10	2.8°	0.1°
H11	C5	C4	H12	1.4°	0.1°
H13	N	C	H14	0.0°	0.0°
H13	N	C	H15	120.0°	120.0°
H13	N	C	H16	120.1°	120.0°
H14	C	H15	H16	120.0°	120.1°

Release date:	2026-06-24
Definition date:	2025-12-12
Last modified:	2026-06-19
Release status:	REL
Processing site:	PDBE
Derived from:	9TK2