OR4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.25Å
C04	C02	sing	1.51Å	1.60Å
C04	C05	sing	1.51Å	1.50Å
C02	O03	sing	1.34Å	1.24Å
C05	C21	sing	1.47Å	1.47Å	Aromatic
C05	C06	doub	1.34Å	1.34Å	Aromatic
C20	C21	doub	1.39Å	1.39Å	Aromatic
C20	C19	sing	1.37Å	1.38Å	Aromatic
C21	C08	sing	1.41Å	1.43Å	Aromatic
C06	O07	sing	1.35Å	1.39Å	Aromatic
C19	C10	doub	1.39Å	1.41Å	Aromatic
C08	O07	sing	1.35Å	1.38Å	Aromatic
C08	C09	doub	1.39Å	1.41Å	Aromatic
C10	C09	sing	1.38Å	1.40Å	Aromatic
C10	O11	sing	1.36Å	1.37Å
O11	C12	sing	1.43Å	1.42Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	C13	sing	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.51Å	1.52Å
C17	C16	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C04	H1	sing	1.09Å	1.10Å
C04	H2	sing	1.09Å	1.10Å
C06	H3	sing	1.08Å	1.08Å
C09	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å
C20	H13	sing	1.08Å	1.08Å
O03	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C04	116.7°	120.0°
O01	C02	O03	126.0°	120.0°
C02	C04	C05	117.0°	109.5°
C04	C02	O03	117.3°	120.0°
C02	C04	H1	107.6°	109.5°
C02	C04	H2	107.5°	109.5°
C04	C05	C21	129.4°	126.9°
C04	C05	C06	126.7°	126.9°
C05	C04	H1	107.6°	109.5°
C05	C04	H2	107.6°	109.5°
C02	O03	H14	109.5°	117.0°
C21	C05	C06	103.9°	106.2°
C05	C21	C20	139.5°	134.3°
C05	C21	C08	106.9°	105.5°
C05	C06	O07	115.0°	110.1°
C05	C06	H3	122.5°	124.9°
C21	C20	C19	122.8°	119.7°
C20	C21	C08	113.6°	120.2°
C21	C20	H13	118.6°	120.1°
C20	C19	C10	122.9°	120.4°
C20	C19	H12	118.5°	119.8°
C19	C20	H13	118.6°	120.2°
C21	C08	O07	109.1°	107.3°
C21	C08	C09	125.1°	119.3°
C06	O07	C08	105.1°	110.9°
O07	C06	H3	122.5°	124.9°
C19	C10	C09	117.0°	120.5°
C19	C10	O11	121.2°	119.8°
C10	C19	H12	118.5°	119.8°
O07	C08	C09	125.8°	133.5°
C08	C09	C10	118.5°	119.8°
C08	C09	H4	120.8°	120.1°
C09	C10	O11	121.8°	119.7°
C10	C09	H4	120.7°	120.1°
C10	O11	C12	123.2°	117.0°
O11	C12	C13	109.4°	109.5°
O11	C12	H5	109.5°	109.5°
O11	C12	H6	109.5°	109.5°
C17	C18	C13	123.1°	120.0°
C18	C17	C16	120.2°	120.0°
C18	C17	H10	119.9°	120.0°
C17	C18	H11	118.5°	120.0°
C18	C13	C12	122.6°	120.0°
C18	C13	C14	114.3°	120.0°
C13	C18	H11	118.4°	120.0°
C12	C13	C14	123.0°	120.0°
C13	C12	H5	109.5°	109.5°
C13	C12	H6	109.5°	109.4°
C17	C16	C15	118.0°	120.0°
C17	C16	H9	121.0°	120.0°
C16	C17	H10	119.9°	120.0°
C13	C14	C15	123.2°	120.0°
C13	C14	H7	118.4°	120.0°
C16	C15	C14	121.1°	120.0°
C16	C15	H8	119.4°	120.0°
C15	C16	H9	121.0°	120.0°
C15	C14	H7	118.4°	120.0°
C14	C15	H8	119.5°	120.0°
H1	C04	H2	109.5°	109.5°
H5	C12	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C04	O03	179.4°	179.6°
O01	C02	C04	C05	69.3°	0.3°
O01	C02	C04	H1	51.7°	120.3°
O01	C02	C04	H2	169.6°	119.7°
O01	C02	O03	H14	0.0°	0.4°
C02	C04	C05	H1	121.1°	120.0°
C02	C04	C05	H2	121.1°	120.0°
C02	C04	C05	C21	39.6°	85.0°
C02	C04	C05	C06	139.5°	94.7°
C02	C04	H1	H2	116.6°	120.0°
C04	C02	O03	H14	179.4°	180.0°
C05	C04	C02	O03	110.1°	179.9°
C04	C05	C21	C06	179.3°	179.7°
C04	C05	C21	C20	0.7°	0.1°
C04	C05	C21	C08	179.4°	180.0°
C04	C05	C06	O07	179.5°	180.0°
C05	C04	H1	H2	116.6°	120.0°
C04	C05	C06	H3	0.5°	0.1°
O03	C02	C04	H1	128.9°	60.0°
O03	C02	C04	H2	11.0°	59.9°
C05	C21	C20	C08	179.8°	180.0°
C05	C21	C20	C19	179.8°	179.6°
C21	C05	C06	O07	0.2°	0.3°
C05	C21	C08	O07	0.1°	0.1°
C05	C21	C08	C09	179.9°	179.9°
C21	C05	C04	H1	81.4°	35.0°
C21	C05	C04	H2	160.7°	155.0°
C21	C05	C06	H3	179.8°	179.8°
C05	C21	C20	H13	0.2°	0.0°
C06	C05	C21	C20	180.0°	179.8°
C06	C05	C21	C08	0.2°	0.3°
C05	C06	O07	H3	180.0°	179.9°
C05	C06	O07	C08	0.1°	0.2°
C06	C05	C04	H1	99.5°	145.3°
C06	C05	C04	H2	18.4°	25.3°
C21	C20	C19	H13	180.0°	179.6°
C21	C20	C19	C10	0.0°	0.4°
C20	C21	C08	O07	180.0°	179.9°
C20	C21	C08	C09	0.0°	0.1°
C21	C20	C19	H12	180.0°	179.8°
C19	C20	C21	C08	0.0°	0.3°
C20	C19	C10	H12	180.0°	179.8°
C20	C19	C10	C09	0.0°	0.2°
C20	C19	C10	O11	179.9°	179.8°
C21	C08	O07	C06	0.0°	0.0°
C21	C08	O07	C09	180.0°	180.0°
C21	C08	C09	C10	0.0°	0.1°
C21	C08	C09	H4	180.0°	180.0°
C08	C21	C20	H13	180.0°	180.0°
C06	O07	C08	C09	180.0°	180.0°
C19	C10	C09	C08	0.0°	0.0°
C19	C10	C09	O11	179.9°	180.0°
C19	C10	O11	C12	174.5°	0.1°
C19	C10	C09	H4	180.0°	179.9°
C10	C19	C20	H13	180.0°	180.0°
O07	C08	C09	C10	180.0°	179.9°
C08	O07	C06	H3	179.9°	179.9°
O07	C08	C09	H4	0.0°	0.0°
C08	C09	C10	H4	180.0°	179.9°
C08	C09	C10	O11	179.9°	180.0°
C09	C10	O11	C12	5.6°	180.0°
C09	C10	C19	H12	180.0°	180.0°
C10	O11	C12	C13	175.5°	180.0°
O11	C10	C09	H4	0.2°	0.1°
C10	O11	C12	H5	64.5°	60.0°
C10	O11	C12	H6	55.5°	60.0°
O11	C10	C19	H12	0.1°	0.0°
O11	C12	C13	C18	88.1°	90.2°
O11	C12	C13	H5	120.0°	120.0°
O11	C12	C13	H6	120.0°	120.0°
O11	C12	C13	C14	89.1°	90.0°
O11	C12	H5	H6	120.0°	120.0°
C17	C18	C13	H11	180.0°	179.4°
C17	C18	C13	C12	178.6°	179.7°
C18	C17	C16	H10	180.0°	179.7°
C17	C18	C13	C14	1.2°	0.6°
C18	C17	C16	C15	0.8°	0.3°
C18	C17	C16	H9	179.2°	179.8°
C18	C13	C12	C14	177.1°	179.8°
C13	C18	C17	C16	1.0°	0.6°
C18	C13	C14	C15	1.3°	0.3°
C18	C13	C12	H5	31.9°	29.8°
C18	C13	C12	H6	151.9°	149.7°
C18	C13	C14	H7	178.7°	179.7°
C13	C18	C17	H10	179.0°	179.7°
C12	C13	C14	C15	178.7°	180.0°
C13	C12	H5	H6	120.0°	120.0°
C12	C13	C14	H7	1.3°	0.0°
C12	C13	C18	H11	1.4°	0.2°
C17	C16	C15	H9	180.0°	179.9°
C17	C16	C15	C14	0.9°	0.0°
C17	C16	C15	H8	179.1°	179.9°
C16	C17	C18	H11	179.0°	180.0°
C13	C14	C15	C16	1.2°	0.0°
C13	C14	C15	H7	180.0°	180.0°
C14	C13	C12	H5	151.0°	150.0°
C14	C13	C12	H6	30.9°	30.0°
C13	C14	C15	H8	178.8°	180.0°
C14	C13	C18	H11	178.8°	180.0°
C16	C15	C14	H8	180.0°	180.0°
C16	C15	C14	H7	178.8°	180.0°
C15	C16	C17	H10	179.2°	180.0°
C14	C15	C16	H9	179.1°	180.0°
H7	C14	C15	H8	1.2°	0.0°
H8	C15	C16	H9	0.9°	0.0°
H9	C16	C17	H10	0.8°	0.0°
H10	C17	C18	H11	1.0°	0.3°
H12	C19	C20	H13	0.0°	0.2°

Release date:	2019-11-06
Definition date:	2019-07-02
Last modified:	2019-11-01
Release status:	REL
Processing site:	RCSB
Derived from:	6PML