5G6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	sing	1.36Å	1.41Å
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	C10	sing	1.39Å	1.39Å	Aromatic
C22	C02	doub	1.39Å	1.39Å	Aromatic
C22	C21	sing	1.38Å	1.38Å	Aromatic
C13	C07	sing	1.40Å	1.38Å	Aromatic
C02	C03	sing	1.39Å	1.39Å	Aromatic
O11	C10	sing	1.36Å	1.41Å
C21	C05	doub	1.40Å	1.39Å	Aromatic
C10	C09	doub	1.39Å	1.39Å	Aromatic
C03	C04	doub	1.38Å	1.39Å	Aromatic
C05	C04	sing	1.40Å	1.39Å	Aromatic
C05	C06	sing	1.48Å	1.52Å
C07	C06	sing	1.48Å	1.51Å
C07	C08	doub	1.40Å	1.39Å	Aromatic
C06	N14	doub	1.31Å	1.31Å
C09	C08	sing	1.38Å	1.39Å	Aromatic
N14	C15	sing	1.37Å	1.42Å
C16	C15	doub	1.40Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C15	C20	sing	1.40Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	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
C16	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
C20	H15	sing	1.08Å	1.08Å
C21	H16	sing	1.08Å	1.08Å
C22	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C22	119.8°	119.9°
O01	C02	C03	120.2°	119.9°
C02	O01	H1	109.5°	113.9°
C13	C12	C10	120.2°	120.1°
C12	C13	C07	119.9°	119.9°
C13	C12	H8	119.9°	120.0°
C12	C13	H9	120.0°	120.0°
C12	C10	O11	120.0°	119.9°
C12	C10	C09	119.9°	120.2°
C10	C12	H8	119.9°	120.0°
C02	C22	C21	120.1°	120.1°
C22	C02	C03	119.9°	120.2°
C02	C22	H17	120.0°	120.0°
C22	C21	C05	120.2°	119.9°
C22	C21	H16	119.9°	120.1°
C21	C22	H17	120.0°	119.9°
C13	C07	C06	120.2°	120.1°
C13	C07	C08	120.1°	119.8°
C07	C13	H9	120.1°	120.1°
C02	C03	C04	119.9°	120.1°
C02	C03	H2	120.1°	119.9°
O11	C10	C09	120.1°	119.9°
C10	O11	H7	109.5°	114.0°
C21	C05	C04	119.7°	119.8°
C21	C05	C06	120.4°	120.0°
C05	C21	H16	119.9°	120.0°
C10	C09	C08	119.9°	120.0°
C10	C09	H6	120.1°	120.0°
C03	C04	C05	120.2°	120.0°
C04	C03	H2	120.0°	120.0°
C03	C04	H3	119.9°	120.0°
C04	C05	C06	119.9°	120.2°
C05	C04	H3	119.9°	120.0°
C05	C06	C07	120.2°	120.0°
C05	C06	N14	121.2°	120.0°
C06	C07	C08	119.8°	120.1°
C07	C06	N14	117.9°	120.0°
C07	C08	C09	120.1°	119.9°
C07	C08	H5	120.0°	120.1°
C06	N14	C15	123.2°	120.0°
C09	C08	H5	119.9°	120.0°
C08	C09	H6	120.1°	119.9°
N14	C15	C16	119.2°	120.2°
N14	C15	C20	120.9°	120.2°
C15	C16	C17	120.1°	119.9°
C16	C15	C20	119.9°	119.6°
C15	C16	H11	119.9°	120.1°
C16	C17	C18	119.9°	120.1°
C17	C16	H11	119.9°	120.0°
C16	C17	H12	120.0°	120.0°
C15	C20	C19	120.0°	119.8°
C15	C20	H15	120.0°	120.1°
C17	C18	C19	120.0°	120.3°
C18	C17	H12	120.0°	119.9°
C17	C18	H13	120.0°	119.8°
C20	C19	C18	120.1°	120.1°
C20	C19	H14	120.0°	120.0°
C19	C20	H15	120.0°	120.1°
C19	C18	H13	120.0°	119.8°
C18	C19	H14	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C22	C03	179.9°	179.6°
O01	C02	C22	C21	180.0°	179.8°
O01	C02	C03	C04	179.9°	180.0°
O01	C02	C03	H2	0.1°	0.1°
O01	C02	C22	H17	0.0°	0.1°
C13	C12	C10	H8	180.0°	179.5°
C12	C13	C07	H9	180.0°	179.4°
C13	C12	C10	O11	180.0°	179.7°
C13	C12	C10	C09	0.0°	0.3°
C12	C13	C07	C06	179.8°	179.7°
C12	C13	C07	C08	0.2°	0.5°
C10	C12	C13	C07	0.1°	0.5°
C12	C10	O11	C09	179.9°	180.0°
C12	C10	C09	C08	0.0°	0.0°
C12	C10	C09	H6	180.0°	180.0°
C12	C10	O11	H7	180.0°	90.0°
C10	C12	C13	H9	179.9°	180.0°
C02	C22	C21	H17	180.0°	179.7°
C02	C22	C21	C05	0.0°	0.6°
C22	C02	C03	C04	0.0°	0.3°
C22	C02	O01	H1	180.0°	90.3°
C22	C02	C03	H2	180.0°	179.8°
C02	C22	C21	H16	180.0°	179.8°
C21	C22	C02	C03	0.1°	0.6°
C22	C21	C05	H16	180.0°	179.7°
C22	C21	C05	C04	0.2°	0.3°
C22	C21	C05	C06	179.7°	179.7°
C13	C07	C06	C05	30.9°	9.3°
C13	C07	C06	C08	179.6°	179.8°
C13	C07	C06	N14	140.0°	170.7°
C13	C07	C08	C09	0.2°	0.2°
C13	C07	C08	H5	179.8°	179.7°
C07	C13	C12	H8	179.9°	180.0°
C02	C03	C04	H2	180.0°	179.9°
C02	C03	C04	C05	0.2°	0.1°
C03	C02	O01	H1	0.1°	90.1°
C02	C03	C04	H3	179.8°	180.0°
C03	C02	C22	H17	180.0°	179.7°
O11	C10	C09	C08	180.0°	180.0°
O11	C10	C09	H6	0.1°	0.0°
O11	C10	C12	H8	0.1°	0.2°
C21	C05	C04	C03	0.3°	0.1°
C21	C05	C04	C06	179.5°	180.0°
C21	C05	C06	C07	120.8°	43.2°
C21	C05	C06	N14	49.9°	136.9°
C21	C05	C04	H3	179.7°	180.0°
C05	C21	C22	H17	180.0°	179.7°
C10	C09	C08	C07	0.1°	0.0°
C10	C09	C08	H6	180.0°	180.0°
C10	C09	C08	H5	179.9°	180.0°
C09	C10	O11	H7	0.1°	90.0°
C09	C10	C12	H8	180.0°	179.8°
C03	C04	C05	H3	180.0°	179.9°
C03	C04	C05	C06	179.8°	179.9°
C04	C05	C06	C07	59.7°	136.8°
C04	C05	C06	N14	129.7°	43.1°
C05	C04	C03	H2	179.8°	180.0°
C04	C05	C21	H16	179.8°	180.0°
C05	C06	C07	N14	170.9°	180.0°
C05	C06	C07	C08	149.5°	170.9°
C05	C06	N14	C15	27.7°	6.5°
C06	C05	C04	H3	0.2°	0.0°
C06	C05	C21	H16	0.3°	0.0°
C06	C07	C08	C09	179.8°	180.0°
C07	C06	N14	C15	161.5°	173.5°
C06	C07	C08	H5	0.2°	0.0°
C06	C07	C13	H9	0.2°	0.3°
C08	C07	C06	N14	39.6°	9.1°
C07	C08	C09	H5	180.0°	180.0°
C07	C08	C09	H6	179.9°	180.0°
C08	C07	C13	H9	179.8°	180.0°
C06	N14	C15	C16	131.7°	57.4°
C06	N14	C15	C20	48.5°	122.3°
N14	C15	C16	C20	179.8°	179.7°
N14	C15	C16	C17	179.9°	180.0°
N14	C15	C20	C19	179.8°	179.7°
N14	C15	C16	H11	0.1°	0.1°
N14	C15	C20	H15	0.1°	0.0°
C15	C16	C17	H11	180.0°	179.9°
C15	C16	C17	C18	0.1°	0.0°
C16	C15	C20	C19	0.4°	0.6°
C15	C16	C17	H12	180.0°	180.0°
C16	C15	C20	H15	179.7°	179.7°
C17	C16	C15	C20	0.1°	0.3°
C16	C17	C18	H12	180.0°	179.9°
C16	C17	C18	C19	0.0°	0.1°
C16	C17	C18	H13	180.0°	180.0°
C15	C20	C19	H15	180.0°	179.7°
C15	C20	C19	C18	0.4°	0.6°
C20	C15	C16	H11	179.9°	179.8°
C15	C20	C19	H14	179.6°	179.7°
C17	C18	C19	C20	0.2°	0.3°
C17	C18	C19	H13	180.0°	179.9°
C18	C17	C16	H11	179.9°	179.9°
C17	C18	C19	H14	179.8°	180.0°
C20	C19	C18	H14	180.0°	179.7°
C20	C19	C18	H13	179.8°	179.7°
C19	C18	C17	H12	180.0°	180.0°
C18	C19	C20	H15	179.6°	179.7°
H2	C03	C04	H3	0.2°	0.1°
H5	C08	C09	H6	0.1°	0.0°
H8	C12	C13	H9	0.1°	0.5°
H11	C16	C17	H12	0.1°	0.1°
H12	C17	C18	H13	0.0°	0.1°
H13	C18	C19	H14	0.2°	0.0°
H14	C19	C20	H15	0.4°	0.0°
H16	C21	C22	H17	0.0°	0.1°

Release date:	2016-05-04
Definition date:	2015-09-22
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	5DVV