A1KEP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N10	N9	sing	1.29Å	1.29Å	Aromatic
N10	C11	doub	1.31Å	1.31Å	Aromatic
C12	C11	sing	1.51Å	1.51Å
N9	C8	doub	1.32Å	1.32Å	Aromatic
C11	N7	sing	1.35Å	1.34Å	Aromatic
C8	N7	sing	1.37Å	1.37Å	Aromatic
C8	C6	sing	1.41Å	1.41Å	Aromatic
N7	N1	sing	1.40Å	1.40Å	Aromatic
C13	C6	sing	1.51Å	1.51Å
C6	C5	doub	1.36Å	1.37Å	Aromatic
N1	C4	doub	1.31Å	1.31Å	Aromatic
C5	C4	sing	1.41Å	1.42Å	Aromatic
C4	N2	sing	1.39Å	1.40Å
C19	N16	doub	1.32Å	1.33Å	Aromatic
C19	C20	sing	1.38Å	1.39Å	Aromatic
N16	C14	sing	1.32Å	1.33Å	Aromatic
C20	C18	doub	1.39Å	1.39Å	Aromatic
C14	C17	sing	1.51Å	1.52Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
N2	C17	sing	1.47Å	1.47Å
N2	C3	sing	1.47Å	1.47Å
C18	C15	sing	1.39Å	1.40Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C20	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.08Å	1.08Å
C19	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N9	N10	C11	110.5°	110.1°
N10	N9	C8	108.6°	109.3°
N10	C11	C12	127.7°	126.2°
N10	C11	N7	107.4°	107.6°
C12	C11	N7	124.9°	126.2°
C11	C12	H12	109.5°	109.5°
C11	C12	H13	109.5°	109.5°
C11	C12	H14	109.5°	109.5°
N9	C8	N7	106.7°	106.8°
N9	C8	C6	134.5°	133.8°
C11	N7	C8	106.7°	106.1°
C11	N7	N1	132.1°	133.8°
N7	C8	C6	118.7°	119.4°
C8	N7	N1	121.1°	120.1°
C8	C6	C13	120.1°	120.4°
C8	C6	C5	118.9°	119.1°
N7	N1	C4	120.6°	120.5°
C13	C6	C5	120.9°	120.4°
C6	C13	H2	109.5°	109.5°
C6	C13	H3	109.5°	109.4°
C6	C13	H4	109.5°	109.5°
C6	C5	C4	120.7°	120.1°
C6	C5	H1	119.7°	119.9°
N1	C4	C5	119.8°	120.8°
N1	C4	N2	119.0°	119.6°
C5	C4	N2	121.1°	119.6°
C4	C5	H1	119.6°	120.0°
C4	N2	C17	120.7°	120.0°
C4	N2	C3	120.3°	120.0°
N16	C19	C20	120.8°	120.8°
C19	N16	C14	122.2°	121.7°
N16	C19	H16	119.6°	119.6°
C19	C20	C18	118.8°	119.2°
C19	C20	H8	120.6°	120.4°
C20	C19	H16	119.6°	119.6°
N16	C14	C17	119.4°	119.6°
N16	C14	C15	120.0°	120.8°
C20	C18	C15	118.6°	118.4°
C18	C20	H8	120.6°	120.4°
C20	C18	H15	120.7°	120.8°
C17	C14	C15	120.5°	119.6°
C14	C17	N2	112.3°	109.5°
C14	C17	H6	108.8°	109.5°
C14	C17	H7	108.8°	109.5°
C14	C15	C18	119.6°	119.1°
C14	C15	H5	120.2°	120.4°
C17	N2	C3	119.0°	120.0°
N2	C17	H6	108.8°	109.4°
N2	C17	H7	108.8°	109.4°
N2	C3	H9	109.5°	109.5°
N2	C3	H10	109.5°	109.5°
N2	C3	H11	109.5°	109.4°
C18	C15	H5	120.2°	120.4°
C15	C18	H15	120.7°	120.8°
H2	C13	H3	109.5°	109.4°
H2	C13	H4	109.5°	109.5°
H3	C13	H4	109.5°	109.5°
H6	C17	H7	109.5°	109.5°
H9	C3	H10	109.4°	109.5°
H9	C3	H11	109.4°	109.5°
H10	C3	H11	109.5°	109.5°
H12	C12	H13	109.5°	109.5°
H12	C12	H14	109.4°	109.5°
H13	C12	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N9	N10	C11	C12	179.9°	180.0°
N9	N10	C11	N7	1.9°	0.1°
N10	N9	C8	N7	0.1°	0.1°
N10	N9	C8	C6	178.9°	180.0°
N10	C11	C12	N7	177.7°	179.8°
C11	N10	N9	C8	1.2°	0.1°
N10	C11	N7	C8	1.7°	0.1°
N10	C11	N7	N1	175.6°	179.9°
N10	C11	C12	H12	0.0°	89.9°
N10	C11	C12	H13	120.0°	150.0°
N10	C11	C12	H14	120.0°	30.1°
C12	C11	N7	C8	179.8°	179.9°
C12	C11	N7	N1	2.4°	0.1°
C11	C12	H12	H13	120.0°	120.1°
C11	C12	H12	H14	120.0°	120.0°
C11	C12	H13	H14	120.0°	120.0°
N9	C8	N7	C11	1.0°	0.0°
N9	C8	N7	C6	179.2°	180.0°
N9	C8	N7	N1	176.7°	180.0°
N9	C8	C6	C13	1.7°	0.1°
N9	C8	C6	C5	177.8°	180.0°
C11	N7	C8	N1	177.7°	180.0°
C11	N7	C8	C6	179.8°	180.0°
C11	N7	N1	C4	178.7°	179.9°
N7	C11	C12	H12	177.7°	89.9°
N7	C11	C12	H13	62.3°	30.2°
N7	C11	C12	H14	57.7°	150.1°
N7	C8	C6	C13	179.3°	179.9°
N7	C8	C6	C5	1.1°	0.0°
C8	N7	N1	C4	1.7°	0.1°
C6	C8	N7	N1	2.5°	0.1°
C8	C6	C13	C5	179.5°	179.9°
C8	C6	C5	C4	1.0°	0.0°
C8	C6	C5	H1	179.0°	180.0°
C8	C6	C13	H2	89.8°	180.0°
C8	C6	C13	H3	150.2°	60.0°
C8	C6	C13	H4	30.2°	59.9°
N7	N1	C4	C5	0.5°	0.1°
N7	N1	C4	N2	177.7°	180.0°
C13	C6	C5	C4	178.5°	179.9°
C13	C6	C5	H1	1.5°	0.1°
C6	C13	H2	H3	120.0°	119.9°
C6	C13	H2	H4	120.0°	120.1°
C6	C13	H3	H4	120.0°	120.0°
C6	C5	C4	N1	1.8°	0.0°
C6	C5	C4	H1	180.0°	180.0°
C6	C5	C4	N2	176.3°	180.0°
C5	C6	C13	H2	89.8°	0.1°
C5	C6	C13	H3	30.3°	120.1°
C5	C6	C13	H4	150.2°	120.0°
N1	C4	C5	N2	178.2°	180.0°
N1	C4	N2	C17	15.1°	0.0°
N1	C4	N2	C3	165.7°	180.0°
N1	C4	C5	H1	178.2°	179.9°
C5	C4	N2	C17	163.1°	180.0°
C5	C4	N2	C3	16.1°	0.0°
C4	N2	C17	C14	63.8°	90.0°
C4	N2	C17	C3	179.2°	180.0°
N2	C4	C5	H1	3.7°	0.0°
C4	N2	C17	H6	175.8°	150.0°
C4	N2	C17	H7	56.6°	30.0°
C4	N2	C3	H9	180.0°	90.0°
C4	N2	C3	H10	60.0°	150.0°
C4	N2	C3	H11	60.0°	30.0°
N16	C19	C20	H16	180.0°	179.8°
N16	C19	C20	C18	1.2°	0.2°
C19	N16	C14	C17	179.6°	180.0°
C19	N16	C14	C15	0.7°	0.1°
N16	C19	C20	H8	178.9°	179.6°
C20	C19	N16	C14	0.6°	0.3°
C19	C20	C18	H8	180.0°	179.8°
C19	C20	C18	C15	1.8°	0.1°
C19	C20	C18	H15	178.2°	179.9°
N16	C14	C17	C15	179.7°	179.9°
N16	C14	C17	N2	131.5°	84.9°
N16	C14	C15	C18	1.3°	0.2°
N16	C14	C15	H5	178.6°	180.0°
N16	C14	C17	H6	108.1°	155.1°
N16	C14	C17	H7	11.0°	35.0°
C14	N16	C19	H16	179.4°	179.9°
C20	C18	C15	C14	1.9°	0.3°
C20	C18	C15	H15	180.0°	180.0°
C20	C18	C15	H5	178.1°	180.0°
C18	C20	C19	H16	178.8°	180.0°
C14	C17	N2	H6	120.4°	120.0°
C14	C17	N2	H7	120.4°	120.0°
C14	C17	N2	C3	115.4°	90.0°
C17	C14	C15	C18	179.0°	179.8°
C17	C14	C15	H5	1.1°	0.0°
C14	C17	H6	H7	118.7°	120.0°
C15	C14	C17	N2	48.2°	95.0°
C14	C15	C18	H5	180.0°	179.8°
C15	C14	C17	H6	72.2°	25.0°
C15	C14	C17	H7	168.6°	145.0°
C14	C15	C18	H15	178.1°	179.7°
N2	C17	H6	H7	118.7°	119.9°
C17	N2	C3	H9	0.8°	90.0°
C17	N2	C3	H10	120.8°	30.0°
C17	N2	C3	H11	119.2°	150.0°
C3	N2	C17	H6	5.0°	30.0°
C3	N2	C17	H7	124.2°	150.0°
N2	C3	H9	H10	120.0°	120.0°
N2	C3	H9	H11	120.0°	120.0°
N2	C3	H10	H11	120.0°	120.0°
C15	C18	C20	H8	178.2°	179.9°
H2	C13	H3	H4	120.0°	120.0°
H5	C15	C18	H15	1.9°	0.1°
H8	C20	C18	H15	1.8°	0.1°
H8	C20	C19	H16	1.2°	0.2°
H9	C3	H10	H11	120.0°	120.0°
H12	C12	H13	H14	119.9°	120.0°

Release date:	2026-08-05
Definition date:	2026-07-21
Last modified:	2026-07-31
Release status:	REL
Processing site:	PDBE
Derived from:	32PP