5KE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C20	doub	1.38Å	1.41Å	Aromatic
C21	C22	sing	1.39Å	1.39Å	Aromatic
C20	C19	sing	1.38Å	1.37Å	Aromatic
O23	C22	sing	1.36Å	1.36Å
C22	C24	doub	1.39Å	1.36Å	Aromatic
C17	C18	sing	1.53Å	1.49Å
C17	C16	sing	1.53Å	1.49Å
C19	C18	sing	1.51Å	1.52Å
C19	C25	doub	1.38Å	1.38Å	Aromatic
C26	C18	sing	1.53Å	1.49Å
C26	C14	sing	1.51Å	1.47Å
C15	C16	sing	1.53Å	1.49Å
C15	C14	sing	1.51Å	1.49Å
C24	C25	sing	1.38Å	1.38Å	Aromatic
C14	C06	doub	1.34Å	1.40Å
C13	C12	doub	1.38Å	1.37Å	Aromatic
C13	C07	sing	1.39Å	1.37Å	Aromatic
C12	C10	sing	1.39Å	1.38Å	Aromatic
C06	C07	sing	1.48Å	1.51Å
C06	C05	sing	1.48Å	1.49Å
C04	C05	doub	1.39Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.37Å	Aromatic
C07	C08	doub	1.39Å	1.37Å	Aromatic
C05	C27	sing	1.39Å	1.36Å	Aromatic
C03	C02	doub	1.39Å	1.38Å	Aromatic
C10	O11	sing	1.36Å	1.35Å
C10	C09	doub	1.39Å	1.37Å	Aromatic
C27	C28	doub	1.38Å	1.38Å	Aromatic
C02	C28	sing	1.39Å	1.37Å	Aromatic
C02	O01	sing	1.36Å	1.34Å
C08	C09	sing	1.38Å	1.37Å	Aromatic
O01	H1	sing	0.97Å	0.95Å
C03	H2	sing	1.08Å	1.08Å
C04	H3	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
O11	H7	sing	0.97Å	0.95Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C17	H15	sing	1.09Å	1.10Å
C17	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.09Å	1.10Å
C20	H18	sing	1.08Å	1.08Å
C21	H19	sing	1.08Å	1.08Å
O23	H20	sing	0.97Å	0.95Å
C24	H21	sing	1.08Å	1.08Å
C25	H22	sing	1.08Å	1.08Å
C26	H23	sing	1.09Å	1.10Å
C26	H24	sing	1.09Å	1.10Å
C27	H25	sing	1.08Å	1.08Å
C28	H26	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C21	C22	120.3°	119.9°
C21	C20	C19	120.0°	120.0°
C21	C20	H18	120.0°	120.0°
C20	C21	H19	119.8°	120.0°
C21	C22	O23	121.4°	120.0°
C21	C22	C24	119.1°	119.9°
C22	C21	H19	119.9°	120.0°
C20	C19	C18	120.5°	119.9°
C20	C19	C25	118.8°	120.1°
C19	C20	H18	120.0°	120.0°
O23	C22	C24	119.5°	120.1°
C22	O23	H20	109.5°	114.0°
C22	C24	C25	120.2°	119.9°
C22	C24	H21	119.9°	120.0°
C18	C17	C16	114.6°	109.8°
C17	C18	C19	110.0°	109.5°
C17	C18	C26	113.4°	109.5°
C18	C17	H15	108.2°	109.4°
C18	C17	H16	108.2°	109.4°
C17	C18	H17	100.8°	109.5°
C17	C16	C15	113.9°	109.4°
C17	C16	H13	108.4°	109.5°
C17	C16	H14	108.4°	109.5°
C16	C17	H15	108.2°	109.3°
C16	C17	H16	108.2°	109.5°
C18	C19	C25	120.6°	120.0°
C19	C18	C26	126.3°	109.6°
C19	C18	H17	100.6°	109.4°
C19	C25	C24	121.5°	120.1°
C19	C25	H22	119.2°	120.0°
C18	C26	C14	115.8°	108.7°
C26	C18	H17	100.8°	109.3°
C18	C26	H23	107.9°	109.6°
C18	C26	H24	107.9°	109.6°
C26	C14	C15	114.9°	118.3°
C26	C14	C06	119.4°	120.9°
C14	C26	H23	107.8°	109.7°
C14	C26	H24	107.8°	109.4°
C16	C15	C14	113.7°	108.5°
C16	C15	H11	108.4°	109.6°
C16	C15	H12	108.4°	109.6°
C15	C16	H13	108.3°	109.4°
C15	C16	H14	108.3°	109.5°
C15	C14	C06	125.4°	120.8°
C14	C15	H11	108.4°	109.6°
C14	C15	H12	108.4°	109.6°
C25	C24	H21	119.9°	120.1°
C24	C25	H22	119.3°	120.0°
C14	C06	C07	121.7°	120.0°
C14	C06	C05	120.8°	120.0°
C12	C13	C07	119.5°	119.9°
C13	C12	C10	120.6°	120.1°
C13	C12	H8	119.7°	119.9°
C12	C13	H9	120.3°	120.0°
C13	C07	C06	121.4°	120.0°
C13	C07	C08	120.1°	119.9°
C07	C13	H9	120.2°	120.1°
C12	C10	O11	121.5°	119.9°
C12	C10	C09	119.5°	120.2°
C10	C12	H8	119.7°	120.0°
C07	C06	C05	117.4°	120.0°
C06	C07	C08	118.5°	120.1°
C06	C05	C04	120.1°	120.0°
C06	C05	C27	120.0°	120.1°
C05	C04	C03	119.4°	119.9°
C04	C05	C27	119.9°	119.9°
C05	C04	H3	120.3°	120.1°
C04	C03	C02	120.7°	120.0°
C04	C03	H2	119.6°	120.0°
C03	C04	H3	120.3°	120.0°
C07	C08	C09	120.3°	119.9°
C07	C08	H5	119.9°	120.0°
C05	C27	C28	120.8°	119.9°
C05	C27	H25	119.6°	120.0°
C03	C02	C28	119.7°	120.1°
C03	C02	O01	120.3°	119.9°
C02	C03	H2	119.6°	120.0°
O11	C10	C09	118.9°	119.9°
C10	O11	H7	109.5°	113.9°
C10	C09	C08	120.0°	120.1°
C10	C09	H6	120.0°	120.0°
C27	C28	C02	119.4°	120.1°
C28	C27	H25	119.6°	120.1°
C27	C28	H26	120.3°	120.0°
C28	C02	O01	120.0°	119.9°
C02	C28	H26	120.3°	120.0°
C02	O01	H1	109.5°	114.0°
C09	C08	H5	119.8°	120.0°
C08	C09	H6	120.0°	120.0°
H11	C15	H12	109.5°	109.8°
H13	C16	H14	109.5°	109.5°
H15	C17	H16	109.5°	109.4°
H23	C26	H24	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C21	C22	H19	180.0°	180.0°
C21	C20	C19	H18	180.0°	179.9°
C20	C21	C22	O23	178.5°	180.0°
C20	C21	C22	C24	0.2°	0.0°
C21	C20	C19	C18	179.0°	180.0°
C21	C20	C19	C25	3.1°	0.3°
C22	C21	C20	C19	2.0°	0.1°
C21	C22	O23	C24	178.6°	180.0°
C21	C22	C24	C25	0.6°	0.2°
C22	C21	C20	H18	178.0°	179.9°
C21	C22	O23	H20	180.0°	90.0°
C21	C22	C24	H21	179.4°	179.9°
C20	C19	C18	C17	66.0°	59.7°
C20	C19	C18	C25	175.9°	179.7°
C20	C19	C18	C26	76.4°	60.4°
C20	C19	C25	C24	2.4°	0.5°
C20	C19	C18	H17	171.7°	179.7°
C19	C20	C21	H19	178.0°	179.9°
C20	C19	C25	H22	177.7°	179.7°
O23	C22	C24	C25	179.2°	179.7°
O23	C22	C21	H19	1.5°	0.1°
O23	C22	C24	H21	0.7°	0.0°
C22	C24	C25	C19	0.5°	0.5°
C22	C24	C25	H21	180.0°	179.7°
C24	C22	C21	H19	179.8°	180.0°
C24	C22	O23	H20	1.4°	90.0°
C22	C24	C25	H22	179.5°	179.8°
C18	C17	C16	H15	120.7°	120.1°
C18	C17	C16	H16	120.8°	120.1°
C17	C18	C19	C26	142.5°	120.1°
C17	C18	C19	H17	105.7°	120.0°
C17	C18	C19	C25	118.1°	120.0°
C17	C18	C26	H17	106.8°	120.0°
C17	C18	C26	C14	43.3°	54.4°
C18	C17	C16	C15	47.5°	63.6°
C18	C17	C16	H13	73.1°	176.4°
C18	C17	C16	H14	168.1°	56.4°
C18	C17	H15	H16	117.7°	119.8°
C17	C18	C26	H23	77.6°	174.4°
C17	C18	C26	H24	164.2°	65.1°
C16	C17	C18	C19	167.4°	176.4°
C16	C17	C18	C26	45.0°	63.5°
C17	C16	C15	H13	120.7°	120.0°
C17	C16	C15	H14	120.7°	120.0°
C17	C16	C15	C14	46.9°	54.6°
C17	C16	C15	H11	167.5°	65.1°
C17	C16	C15	H12	73.8°	174.4°
C17	C16	H13	H14	118.0°	120.1°
C16	C17	H15	H16	117.6°	119.9°
C16	C17	C18	H17	61.8°	56.4°
C19	C18	C26	H17	111.8°	119.9°
C19	C18	C26	C14	175.3°	174.5°
C18	C19	C25	C24	178.3°	179.8°
C19	C18	C17	H15	46.6°	63.6°
C19	C18	C17	H16	71.9°	56.2°
C18	C19	C20	H18	1.0°	0.1°
C18	C19	C25	H22	1.7°	0.0°
C19	C18	C26	H23	63.8°	65.5°
C19	C18	C26	H24	54.4°	55.0°
C25	C19	C18	C26	99.5°	119.9°
C19	C25	C24	H22	180.0°	179.7°
C25	C19	C18	H17	12.4°	0.0°
C25	C19	C20	H18	176.9°	179.8°
C19	C25	C24	H21	179.5°	179.8°
C18	C26	C14	H23	120.9°	119.9°
C18	C26	C14	H24	120.9°	119.6°
C18	C26	C14	C15	43.8°	51.1°
C18	C26	C14	C06	130.2°	128.7°
C26	C18	C17	H15	165.7°	56.5°
C26	C18	C17	H16	75.7°	176.3°
C18	C26	H23	H24	117.2°	120.4°
C26	C14	C15	C16	45.2°	51.1°
C26	C14	C15	C06	173.5°	179.8°
C26	C14	C06	C07	169.2°	179.8°
C26	C14	C06	C05	7.0°	0.3°
C26	C14	C15	H11	165.8°	68.6°
C26	C14	C15	H12	75.5°	170.8°
C14	C26	C18	H17	63.5°	65.6°
C14	C26	H23	H24	117.1°	120.2°
C16	C15	C14	H11	120.6°	119.7°
C16	C15	C14	H12	120.6°	119.7°
C16	C15	C14	C06	128.4°	128.7°
C16	C15	H11	H12	118.1°	120.5°
C15	C16	H13	H14	118.0°	120.0°
C15	C16	C17	H15	168.2°	56.4°
C15	C16	C17	H16	73.3°	176.3°
C15	C14	C06	C07	17.5°	0.0°
C15	C14	C06	C05	166.2°	180.0°
C14	C15	H11	H12	118.1°	120.5°
C14	C15	C16	H13	73.8°	174.6°
C14	C15	C16	H14	167.5°	65.4°
C15	C14	C26	H23	77.2°	171.0°
C15	C14	C26	H24	164.7°	68.6°
C14	C06	C07	C13	41.9°	65.3°
C14	C06	C07	C05	176.4°	179.9°
C14	C06	C05	C04	117.0°	115.0°
C14	C06	C07	C08	138.9°	114.9°
C14	C06	C05	C27	62.9°	65.0°
C06	C14	C15	H11	7.8°	111.7°
C06	C14	C15	H12	111.0°	8.9°
C06	C14	C26	H23	108.9°	8.8°
C06	C14	C26	H24	9.3°	111.6°
C12	C13	C07	H9	180.0°	179.4°
C13	C12	C10	H8	180.0°	179.6°
C12	C13	C07	C06	179.6°	179.7°
C12	C13	C07	C08	0.5°	0.6°
C13	C12	C10	O11	179.7°	179.7°
C13	C12	C10	C09	0.3°	0.3°
C07	C13	C12	C10	0.4°	0.6°
C13	C07	C06	C08	179.2°	179.8°
C13	C07	C06	C05	134.4°	114.8°
C13	C07	C08	C09	0.2°	0.2°
C13	C07	C08	H5	179.9°	179.7°
C07	C13	C12	H8	179.6°	179.7°
C12	C10	O11	C09	179.4°	179.9°
C12	C10	C09	C08	0.9°	0.0°
C12	C10	C09	H6	179.1°	180.0°
C12	C10	O11	H7	180.0°	90.0°
C10	C12	C13	H9	179.7°	180.0°
C07	C06	C05	C04	59.4°	65.1°
C07	C06	C05	C27	120.7°	115.0°
C06	C07	C08	C09	179.0°	180.0°
C06	C07	C08	H5	0.9°	0.0°
C06	C07	C13	H9	0.4°	0.3°
C06	C05	C04	C27	179.9°	180.0°
C06	C05	C04	C03	180.0°	180.0°
C05	C06	C07	C08	44.7°	65.0°
C06	C05	C27	C28	179.7°	180.0°
C06	C05	C04	H3	0.0°	0.1°
C06	C05	C27	H25	0.3°	0.0°
C05	C04	C03	H3	180.0°	179.8°
C05	C04	C03	C02	0.0°	0.1°
C04	C05	C27	C28	0.3°	0.0°
C05	C04	C03	H2	180.0°	180.0°
C04	C05	C27	H25	179.7°	180.0°
C03	C04	C05	C27	0.1°	0.1°
C04	C03	C02	H2	180.0°	180.0°
C04	C03	C02	C28	0.5°	0.1°
C04	C03	C02	O01	179.5°	179.7°
C07	C08	C09	C10	0.9°	0.0°
C07	C08	C09	H5	180.0°	180.0°
C07	C08	C09	H6	179.1°	180.0°
C08	C07	C13	H9	179.6°	180.0°
C05	C27	C28	H25	180.0°	179.9°
C05	C27	C28	C02	0.7°	0.0°
C27	C05	C04	H3	179.9°	179.9°
C05	C27	C28	H26	179.3°	179.8°
C03	C02	C28	C27	0.8°	0.1°
C03	C02	C28	O01	179.9°	179.8°
C03	C02	O01	H1	180.0°	89.8°
C02	C03	C04	H3	180.0°	179.9°
C03	C02	C28	H26	179.2°	179.8°
O11	C10	C09	C08	179.6°	179.9°
O11	C10	C09	H6	0.4°	0.1°
O11	C10	C12	H8	0.2°	0.1°
C10	C09	C08	H6	180.0°	180.0°
C10	C09	C08	H5	179.2°	180.0°
C09	C10	O11	H7	0.6°	90.0°
C09	C10	C12	H8	179.7°	180.0°
C27	C28	C02	H26	180.0°	179.8°
C27	C28	C02	O01	179.1°	179.7°
C28	C02	O01	H1	0.1°	90.0°
C28	C02	C03	H2	179.5°	180.0°
C02	C28	C27	H25	179.3°	180.0°
O01	C02	C03	H2	0.5°	0.2°
O01	C02	C28	H26	0.9°	0.0°
H2	C03	C04	H3	0.0°	0.1°
H5	C08	C09	H6	0.8°	0.0°
H8	C12	C13	H9	0.3°	0.3°
H11	C15	C16	H13	46.8°	54.9°
H11	C15	C16	H14	71.8°	174.9°
H12	C15	C16	H13	165.6°	65.7°
H12	C15	C16	H14	46.9°	54.3°
H13	C16	C17	H15	47.6°	63.5°
H13	C16	C17	H16	166.1°	56.3°
H14	C16	C17	H15	71.1°	176.4°
H14	C16	C17	H16	47.4°	63.8°
H15	C17	C18	H17	58.9°	176.4°
H16	C17	C18	H17	177.4°	63.8°
H17	C18	C26	H23	175.6°	54.4°
H17	C18	C26	H24	57.4°	174.9°
H18	C20	C21	H19	2.0°	0.0°
H21	C24	C25	H22	0.5°	0.1°
H25	C27	C28	H26	0.7°	0.3°

Release date:	2016-05-04
Definition date:	2015-10-08
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	5E0W