A1EKE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	N23	sing	1.47Å	1.42Å
C24	C25	sing	1.53Å	1.64Å
C22	C21	doub	1.36Å	1.40Å	Aromatic
C22	N23	sing	1.33Å	1.32Å	Aromatic
C21	C20	sing	1.41Å	1.42Å	Aromatic
N23	C27	doub	1.31Å	1.31Å	Aromatic
O26	C25	sing	1.43Å	1.44Å
C27	C28	sing	1.40Å	1.43Å	Aromatic
C20	C28	doub	1.42Å	1.35Å	Aromatic
C20	C19	sing	1.40Å	1.49Å	Aromatic
C28	C29	sing	1.41Å	1.43Å	Aromatic
C19	C18	doub	1.38Å	1.42Å	Aromatic
C29	C30	doub	1.36Å	1.47Å	Aromatic
C18	C30	sing	1.40Å	1.40Å	Aromatic
C18	C03	sing	1.48Å	1.57Å
C01	C02	sing	1.51Å	1.55Å
C03	C02	doub	1.39Å	1.39Å	Aromatic
C03	C04	sing	1.39Å	1.38Å	Aromatic
O15	C14	sing	1.43Å	1.43Å
O15	C10	sing	1.36Å	1.41Å
C02	C07	sing	1.39Å	1.37Å	Aromatic
C14	C13	sing	1.53Å	1.55Å
C04	C05	doub	1.38Å	1.39Å	Aromatic
C09	C10	doub	1.38Å	1.41Å	Aromatic
C09	C08	sing	1.39Å	1.44Å	Aromatic
C10	C11	sing	1.39Å	1.38Å	Aromatic
C07	C08	sing	1.48Å	1.54Å
C07	C06	doub	1.39Å	1.40Å	Aromatic
C05	C06	sing	1.38Å	1.37Å	Aromatic
C08	C17	doub	1.39Å	1.41Å	Aromatic
C13	O12	sing	1.43Å	1.43Å
C11	O12	sing	1.36Å	1.45Å
C11	C16	doub	1.39Å	1.45Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.09Å	1.10Å
C24	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C01	H10	sing	1.09Å	1.10Å
C04	H11	sing	1.08Å	1.08Å
C05	H12	sing	1.08Å	1.08Å
C06	H13	sing	1.08Å	1.08Å
C09	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C16	H17	sing	1.08Å	1.08Å
C19	H18	sing	1.08Å	1.08Å
C25	H19	sing	1.09Å	1.10Å
C25	H20	sing	1.09Å	1.10Å
C27	H21	sing	1.08Å	1.08Å
C29	H22	sing	1.08Å	1.08Å
C30	H23	sing	1.08Å	1.08Å
O26	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N23	C24	C25	109.2°	109.5°
C24	N23	C22	118.4°	118.6°
C24	N23	C27	118.5°	118.6°
N23	C24	H6	109.6°	109.5°
N23	C24	H7	109.5°	109.5°
C24	C25	O26	107.8°	109.5°
C25	C24	H6	109.5°	109.5°
C25	C24	H7	109.6°	109.4°
C24	C25	H19	109.9°	109.5°
C24	C25	H20	109.9°	109.4°
C21	C22	N23	121.6°	121.8°
C22	C21	C20	117.0°	118.7°
C22	C21	H4	121.5°	120.6°
C21	C22	H5	119.2°	119.1°
C22	N23	C27	123.0°	122.8°
N23	C22	H5	119.2°	119.1°
C21	C20	C28	119.4°	118.2°
C21	C20	C19	119.0°	122.1°
C20	C21	H4	121.5°	120.7°
N23	C27	C28	118.5°	120.0°
N23	C27	H21	120.8°	120.0°
O26	C25	H19	109.9°	109.5°
O26	C25	H20	109.9°	109.5°
C25	O26	H24	109.5°	114.1°
C27	C28	C20	120.4°	118.5°
C27	C28	C29	118.2°	121.9°
C28	C27	H21	120.7°	120.0°
C28	C20	C19	121.6°	119.7°
C20	C28	C29	121.4°	119.6°
C20	C19	C18	117.6°	119.3°
C20	C19	H18	121.2°	120.3°
C28	C29	C30	117.8°	119.8°
C28	C29	H22	121.1°	120.0°
C19	C18	C30	120.6°	120.6°
C19	C18	C03	122.6°	119.7°
C18	C19	H18	121.2°	120.3°
C29	C30	C18	121.1°	121.0°
C30	C29	H22	121.1°	120.1°
C29	C30	H23	119.5°	119.5°
C30	C18	C03	116.8°	119.7°
C18	C30	H23	119.5°	119.5°
C18	C03	C02	123.4°	120.0°
C18	C03	C04	116.1°	120.1°
C01	C02	C03	121.7°	120.1°
C01	C02	C07	119.2°	120.1°
C02	C01	H8	109.5°	109.5°
C02	C01	H9	109.5°	109.5°
C02	C01	H10	109.5°	109.4°
C02	C03	C04	120.4°	119.9°
C03	C02	C07	119.0°	119.7°
C03	C04	C05	120.2°	120.1°
C03	C04	H11	119.9°	119.9°
C14	O15	C10	114.3°	116.7°
O15	C14	C13	111.6°	108.3°
O15	C14	H15	108.9°	109.6°
O15	C14	H16	109.0°	109.8°
O15	C10	C09	114.0°	119.3°
O15	C10	C11	124.4°	120.8°
C02	C07	C08	122.1°	120.1°
C02	C07	C06	120.4°	119.9°
C14	C13	O12	111.3°	108.3°
C14	C13	H1	109.0°	109.7°
C14	C13	H2	109.0°	109.8°
C13	C14	H15	109.0°	109.7°
C13	C14	H16	108.9°	109.7°
C04	C05	C06	119.4°	120.3°
C05	C04	H11	119.9°	120.0°
C04	C05	H12	120.3°	119.8°
C10	C09	C08	118.7°	119.9°
C09	C10	C11	121.5°	119.9°
C10	C09	H14	120.7°	120.0°
C09	C08	C07	118.4°	120.0°
C09	C08	C17	120.3°	119.9°
C08	C09	H14	120.7°	120.1°
C10	C11	O12	120.3°	120.7°
C10	C11	C16	119.7°	120.0°
C08	C07	C06	117.5°	120.0°
C07	C08	C17	121.2°	120.1°
C07	C06	C05	120.4°	120.1°
C07	C06	H13	119.8°	120.0°
C06	C05	H12	120.3°	119.9°
C05	C06	H13	119.8°	120.0°
C08	C17	C16	120.0°	120.0°
C08	C17	H3	120.0°	120.0°
C13	O12	C11	111.8°	116.7°
O12	C13	H1	109.0°	109.7°
O12	C13	H2	109.0°	109.7°
O12	C11	C16	120.0°	119.3°
C11	C16	C17	119.7°	120.2°
C11	C16	H17	120.2°	119.9°
C16	C17	H3	120.0°	120.0°
C17	C16	H17	120.2°	119.9°
H1	C13	H2	109.5°	109.7°
H6	C24	H7	109.5°	109.5°
H8	C01	H9	109.5°	109.5°
H8	C01	H10	109.5°	109.5°
H9	C01	H10	109.4°	109.5°
H15	C14	H16	109.5°	109.7°
H19	C25	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N23	C24	C25	H6	120.0°	120.0°
N23	C24	C25	H7	119.9°	120.0°
C24	N23	C22	C21	179.7°	180.0°
C24	N23	C22	C27	179.8°	179.7°
N23	C24	C25	O26	56.5°	180.0°
C24	N23	C27	C28	179.8°	179.7°
C24	N23	C22	H5	0.3°	0.0°
N23	C24	H6	H7	120.1°	120.0°
N23	C24	C25	H19	176.3°	60.0°
N23	C24	C25	H20	63.2°	60.0°
C24	N23	C27	H21	0.2°	0.2°
C25	C24	N23	C22	94.5°	90.0°
C25	C24	N23	C27	85.3°	90.2°
C24	C25	O26	H19	119.7°	120.0°
C24	C25	O26	H20	119.7°	120.0°
C25	C24	H6	H7	120.1°	120.0°
C24	C25	H19	H20	120.8°	120.0°
C24	C25	O26	H24	180.0°	180.0°
C21	C22	N23	H5	180.0°	180.0°
C22	C21	C20	H4	180.0°	180.0°
C21	C22	N23	C27	0.1°	0.3°
C22	C21	C20	C28	0.0°	0.0°
C22	C21	C20	C19	179.8°	179.7°
N23	C22	C21	C20	0.1°	0.0°
C22	N23	C27	C28	0.0°	0.5°
N23	C22	C21	H4	179.9°	180.0°
C22	N23	C24	H6	25.4°	30.0°
C22	N23	C24	H7	145.5°	150.0°
C22	N23	C27	H21	180.0°	180.0°
C21	C20	C28	C27	0.0°	0.2°
C21	C20	C28	C19	179.8°	179.7°
C21	C20	C28	C29	179.9°	179.7°
C21	C20	C19	C18	179.6°	179.8°
C20	C21	C22	H5	179.9°	180.0°
C21	C20	C19	H18	0.4°	0.3°
N23	C27	C28	H21	180.0°	179.5°
N23	C27	C28	C20	0.0°	0.5°
N23	C27	C28	C29	179.9°	179.4°
C27	N23	C22	H5	179.9°	179.8°
C27	N23	C24	H6	154.7°	149.8°
C27	N23	C24	H7	34.7°	29.7°
O26	C25	C24	H6	63.4°	60.0°
O26	C25	C24	H7	176.5°	60.0°
O26	C25	H19	H20	120.8°	120.0°
C27	C28	C20	C29	179.9°	179.9°
C27	C28	C20	C19	179.8°	180.0°
C27	C28	C29	C30	179.9°	180.0°
C27	C28	C29	H22	0.1°	0.1°
C28	C20	C19	C18	0.6°	0.0°
C20	C28	C29	C30	0.2°	0.0°
C28	C20	C21	H4	180.0°	180.0°
C28	C20	C19	H18	179.4°	180.0°
C20	C28	C27	H21	179.9°	180.0°
C20	C28	C29	H22	179.8°	180.0°
C19	C20	C28	C29	0.3°	0.0°
C20	C19	C18	H18	180.0°	179.9°
C20	C19	C18	C30	0.9°	0.1°
C20	C19	C18	C03	179.7°	180.0°
C19	C20	C21	H4	0.2°	0.3°
C28	C29	C30	H22	180.0°	180.0°
C28	C29	C30	C18	0.5°	0.1°
C29	C28	C27	H21	0.0°	0.1°
C28	C29	C30	H23	179.5°	180.0°
C19	C18	C30	C29	0.9°	0.1°
C19	C18	C30	C03	178.9°	179.8°
C19	C18	C03	C02	46.8°	123.8°
C19	C18	C03	C04	134.6°	56.2°
C19	C18	C30	H23	179.1°	180.0°
C29	C30	C18	H23	180.0°	179.9°
C29	C30	C18	C03	179.8°	180.0°
C30	C18	C03	C02	134.3°	56.1°
C30	C18	C03	C04	44.3°	123.9°
C30	C18	C19	H18	179.1°	179.9°
C18	C30	C29	H22	179.5°	179.9°
C18	C03	C02	C01	1.0°	0.1°
C18	C03	C02	C04	178.6°	180.0°
C18	C03	C02	C07	179.2°	179.8°
C18	C03	C04	C05	179.3°	180.0°
C18	C03	C04	H11	0.7°	0.1°
C03	C18	C19	H18	0.2°	0.1°
C03	C18	C30	H23	0.2°	0.1°
C01	C02	C03	C07	179.8°	179.8°
C01	C02	C03	C04	179.6°	180.0°
C01	C02	C07	C08	0.3°	0.0°
C01	C02	C07	C06	179.9°	179.8°
C02	C01	H8	H9	120.0°	120.0°
C02	C01	H8	H10	120.0°	120.0°
C02	C01	H9	H10	120.0°	120.0°
C02	C03	C04	C05	0.7°	0.0°
C03	C02	C07	C08	179.5°	179.7°
C03	C02	C07	C06	0.1°	0.5°
C03	C02	C01	H8	90.1°	91.3°
C03	C02	C01	H9	149.9°	28.8°
C03	C02	C01	H10	29.9°	148.8°
C02	C03	C04	H11	179.4°	179.9°
C04	C03	C02	C07	0.6°	0.2°
C03	C04	C05	H11	180.0°	179.9°
C03	C04	C05	C06	0.1°	0.0°
C03	C04	C05	H12	179.9°	180.0°
O15	C14	C13	H15	120.3°	119.6°
O15	C14	C13	H16	120.3°	119.8°
C14	O15	C10	C09	171.0°	163.0°
C14	O15	C10	C11	9.2°	17.3°
O15	C14	C13	O12	59.5°	59.7°
O15	C14	C13	H1	60.8°	59.9°
O15	C14	C13	H2	179.8°	179.5°
O15	C14	H15	H16	119.0°	120.7°
C10	O15	C14	C13	37.0°	46.2°
O15	C10	C09	C11	179.9°	179.8°
O15	C10	C09	C08	179.7°	179.6°
O15	C10	C11	O12	0.1°	0.5°
O15	C10	C11	C16	179.8°	179.6°
O15	C10	C09	H14	0.3°	0.4°
C10	O15	C14	H15	157.4°	73.5°
C10	O15	C14	H16	83.3°	165.9°
C02	C07	C08	C09	111.8°	130.1°
C02	C07	C08	C06	179.6°	179.8°
C02	C07	C06	C05	0.4°	0.5°
C02	C07	C08	C17	69.7°	49.9°
C07	C02	C01	H8	90.1°	88.5°
C07	C02	C01	H9	29.9°	151.4°
C07	C02	C01	H10	149.9°	31.5°
C02	C07	C06	H13	179.6°	179.8°
C14	C13	O12	H1	120.2°	119.6°
C14	C13	O12	H2	120.3°	119.8°
C14	C13	O12	C11	49.4°	46.3°
C14	C13	H1	H2	119.2°	120.7°
C13	C14	H15	H16	119.0°	120.5°
C04	C05	C06	C07	0.4°	0.3°
C04	C05	C06	H12	180.0°	179.9°
C04	C05	C06	H13	179.6°	180.0°
C10	C09	C08	H14	180.0°	180.0°
C10	C09	C08	C07	179.4°	180.0°
C10	C09	C08	C17	1.0°	0.1°
C09	C10	C11	O12	179.7°	179.7°
C09	C10	C11	C16	0.0°	0.2°
C08	C09	C10	C11	0.4°	0.1°
C09	C08	C07	C17	178.5°	180.0°
C09	C08	C07	C06	67.8°	49.8°
C09	C08	C17	C16	1.0°	0.0°
C09	C08	C17	H3	179.0°	180.0°
C10	C11	O12	C13	21.5°	17.4°
C10	C11	O12	C16	179.7°	179.9°
C10	C11	C16	C17	0.0°	0.1°
C11	C10	C09	H14	179.5°	179.9°
C10	C11	C16	H17	180.0°	179.9°
C08	C07	C06	C05	180.0°	179.7°
C07	C08	C17	C16	179.5°	180.0°
C07	C08	C17	H3	0.5°	0.1°
C08	C07	C06	H13	0.0°	0.0°
C07	C08	C09	H14	0.5°	0.0°
C07	C06	C05	H13	180.0°	179.7°
C06	C07	C08	C17	110.7°	130.2°
C07	C06	C05	H12	179.6°	179.8°
C06	C05	C04	H11	179.9°	179.9°
C08	C17	C16	C11	0.6°	0.0°
C08	C17	C16	H3	180.0°	180.0°
C17	C08	C09	H14	179.0°	180.0°
C08	C17	C16	H17	179.5°	180.0°
C13	O12	C11	C16	158.2°	162.7°
O12	C13	H1	H2	119.2°	120.6°
O12	C13	C14	H15	179.8°	59.9°
O12	C13	C14	H16	60.8°	179.6°
O12	C11	C16	C17	179.7°	179.8°
C11	O12	C13	H1	70.9°	73.3°
C11	O12	C13	H2	169.6°	166.1°
O12	C11	C16	H17	0.3°	0.2°
C11	C16	C17	H17	180.0°	180.0°
C11	C16	C17	H3	179.4°	180.0°
H1	C13	C14	H15	59.5°	179.5°
H1	C13	C14	H16	178.9°	59.9°
H2	C13	C14	H15	59.9°	59.8°
H2	C13	C14	H16	59.4°	60.7°
H3	C17	C16	H17	0.6°	0.0°
H4	C21	C22	H5	0.1°	0.0°
H6	C24	C25	H19	56.3°	60.0°
H6	C24	C25	H20	176.8°	180.0°
H7	C24	C25	H19	63.8°	180.0°
H7	C24	C25	H20	56.8°	60.0°
H8	C01	H9	H10	120.0°	120.0°
H11	C04	C05	H12	0.1°	0.0°
H12	C05	C06	H13	0.4°	0.1°
H19	C25	O26	H24	60.3°	59.9°
H20	C25	O26	H24	60.3°	60.0°
H22	C29	C30	H23	0.5°	0.0°

Release date:	2026-06-10
Definition date:	2025-01-19
Last modified:	2026-06-05
Release status:	REL
Processing site:	PDBC
Derived from:	9KSB