TG7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.22Å	1.24Å
O27	C26	doub	1.21Å	1.24Å
C02	C04	sing	1.47Å	1.55Å
C02	O03	sing	1.35Å	1.27Å
C21	C22	doub	1.35Å	1.36Å	Aromatic
C21	C20	sing	1.41Å	1.43Å	Aromatic
C22	N23	sing	1.37Å	1.40Å	Aromatic
C04	C05	doub	1.39Å	1.40Å	Aromatic
C04	C25	sing	1.41Å	1.41Å	Aromatic
C26	C25	sing	1.48Å	1.56Å
C26	O28	sing	1.35Å	1.25Å
C05	C06	sing	1.38Å	1.40Å	Aromatic
C25	C24	doub	1.39Å	1.39Å	Aromatic
C06	C07	doub	1.39Å	1.39Å	Aromatic
C24	C07	sing	1.39Å	1.41Å	Aromatic
C20	C19	doub	1.36Å	1.36Å	Aromatic
C07	N08	sing	1.39Å	1.43Å
N08	C09	sing	1.39Å	1.37Å
N23	C09	sing	1.37Å	1.42Å	Aromatic
N23	C18	sing	1.38Å	1.42Å	Aromatic
C09	C10	doub	1.38Å	1.41Å	Aromatic
C19	C18	sing	1.41Å	1.44Å	Aromatic
C18	N17	doub	1.32Å	1.37Å	Aromatic
C10	N17	sing	1.35Å	1.42Å	Aromatic
C10	C11	sing	1.48Å	1.48Å
C11	C12	doub	1.39Å	1.40Å	Aromatic
C11	C16	sing	1.39Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.40Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å
N08	H13	sing	0.97Å	1.00Å
O03	H14	sing	0.97Å	0.95Å
O28	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C04	117.3°	120.0°
O01	C02	O03	125.3°	120.0°
O27	C26	C25	117.5°	120.0°
O27	C26	O28	125.0°	120.0°
C04	C02	O03	117.4°	120.0°
C02	C04	C05	118.9°	120.1°
C02	C04	C25	122.9°	120.1°
C02	O03	H14	109.5°	117.0°
C22	C21	C20	120.8°	120.4°
C21	C22	N23	118.7°	120.6°
C22	C21	H4	119.6°	119.8°
C21	C22	H5	120.6°	119.8°
C21	C20	C19	121.2°	119.7°
C21	C20	H3	119.4°	120.1°
C20	C21	H4	119.6°	119.8°
C22	N23	C09	130.0°	132.3°
C22	N23	C18	122.3°	120.4°
N23	C22	H5	120.6°	119.7°
C05	C04	C25	118.2°	119.7°
C04	C05	C06	122.3°	120.1°
C04	C05	H7	118.8°	120.0°
C04	C25	C26	120.1°	120.2°
C04	C25	C24	119.8°	119.7°
C25	C26	O28	117.5°	120.0°
C26	C25	C24	120.1°	120.2°
C26	O28	H15	109.5°	117.0°
C05	C06	C07	119.3°	120.3°
C06	C05	H7	118.8°	119.9°
C05	C06	H8	120.4°	119.8°
C25	C24	C07	121.4°	119.9°
C25	C24	H6	119.3°	120.0°
C06	C07	C24	119.0°	120.2°
C06	C07	N08	120.1°	119.9°
C07	C06	H8	120.4°	119.9°
C24	C07	N08	120.9°	119.9°
C07	C24	H6	119.3°	120.1°
C20	C19	C18	119.5°	119.4°
C19	C20	H3	119.4°	120.1°
C20	C19	H12	120.3°	120.3°
C07	N08	C09	124.6°	120.0°
C07	N08	H13	117.7°	120.0°
N08	C09	N23	120.7°	126.6°
N08	C09	C10	134.1°	126.6°
C09	N08	H13	117.7°	120.0°
C09	N23	C18	107.7°	107.4°
N23	C09	C10	105.3°	106.8°
N23	C18	C19	117.4°	119.5°
N23	C18	N17	110.2°	108.5°
C09	C10	N17	111.0°	108.0°
C09	C10	C11	129.7°	126.0°
C19	C18	N17	132.4°	131.9°
C18	C19	H12	120.2°	120.3°
C18	N17	C10	105.8°	109.3°
N17	C10	C11	119.3°	126.0°
C10	C11	C12	121.1°	120.1°
C10	C11	C16	121.2°	120.2°
C12	C11	C16	117.7°	119.7°
C11	C12	C13	121.0°	119.9°
C11	C12	H9	119.5°	120.0°
C11	C16	C15	121.0°	119.9°
C11	C16	H11	119.5°	120.1°
C12	C13	C14	120.6°	120.1°
C12	C13	H1	119.7°	119.9°
C13	C12	H9	119.5°	120.1°
C13	C14	C15	118.9°	120.3°
C14	C13	H1	119.7°	120.0°
C13	C14	H10	120.5°	119.9°
C16	C15	C14	120.7°	120.1°
C16	C15	H2	119.6°	120.0°
C15	C16	H11	119.5°	120.1°
C14	C15	H2	119.6°	119.9°
C15	C14	H10	120.6°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C04	O03	179.8°	180.0°
O01	C02	C04	C05	127.6°	124.9°
O01	C02	C04	C25	51.5°	55.1°
O01	C02	O03	H14	0.0°	0.0°
O27	C26	C25	C04	122.0°	6.4°
O27	C26	C25	O28	179.9°	180.0°
O27	C26	C25	C24	57.5°	173.6°
O27	C26	O28	H15	0.0°	0.1°
C02	C04	C05	C25	179.1°	180.0°
C02	C04	C25	C26	0.0°	0.0°
C02	C04	C05	C06	179.7°	179.7°
C02	C04	C25	C24	179.5°	180.0°
C02	C04	C05	H7	0.3°	0.0°
C04	C02	O03	H14	179.8°	180.0°
O03	C02	C04	C05	52.6°	55.1°
O03	C02	C04	C25	128.3°	124.9°
C22	C21	C20	H4	180.0°	179.5°
C21	C22	N23	H5	180.0°	179.9°
C22	C21	C20	C19	0.0°	0.8°
C21	C22	N23	C09	180.0°	179.9°
C21	C22	N23	C18	0.1°	0.2°
C22	C21	C20	H3	180.0°	180.0°
C20	C21	C22	N23	0.1°	0.5°
C21	C20	C19	H3	180.0°	179.2°
C21	C20	C19	C18	0.1°	0.8°
C20	C21	C22	H5	179.9°	179.4°
C21	C20	C19	H12	180.0°	180.0°
C22	N23	C09	N08	0.3°	0.0°
C22	N23	C09	C18	179.9°	179.8°
C22	N23	C09	C10	179.8°	180.0°
C22	N23	C18	C19	0.0°	0.1°
C22	N23	C18	N17	179.9°	179.8°
N23	C22	C21	H4	179.9°	180.0°
C05	C04	C25	C26	179.1°	180.0°
C04	C05	C06	H7	180.0°	179.7°
C05	C04	C25	C24	0.4°	0.0°
C04	C05	C06	C07	0.3°	0.5°
C04	C05	C06	H8	179.7°	180.0°
C04	C25	C26	C24	179.5°	180.0°
C04	C25	C26	O28	57.9°	173.6°
C25	C04	C05	C06	0.6°	0.3°
C04	C25	C24	C07	0.1°	0.0°
C04	C25	C24	H6	179.9°	179.7°
C25	C04	C05	H7	179.4°	180.0°
C26	C25	C24	C07	179.6°	180.0°
C26	C25	C24	H6	0.4°	0.3°
C25	C26	O28	H15	179.9°	180.0°
O28	C26	C25	C24	122.6°	6.4°
C05	C06	C07	H8	180.0°	179.5°
C05	C06	C07	C24	0.2°	0.5°
C05	C06	C07	N08	179.6°	179.4°
C25	C24	C07	C06	0.4°	0.2°
C25	C24	C07	H6	180.0°	179.8°
C25	C24	C07	N08	179.8°	179.7°
C06	C07	C24	N08	179.4°	180.0°
C06	C07	N08	C09	33.7°	14.1°
C06	C07	C24	H6	179.6°	180.0°
C07	C06	C05	H7	179.7°	179.8°
C06	C07	N08	H13	146.3°	165.9°
C24	C07	N08	C09	146.9°	165.8°
C24	C07	C06	H8	179.9°	180.0°
C24	C07	N08	H13	33.1°	14.2°
C20	C19	C18	N23	0.1°	0.4°
C20	C19	C18	H12	180.0°	179.2°
C20	C19	C18	N17	180.0°	180.0°
C19	C20	C21	H4	180.0°	179.7°
C07	N08	C09	H13	180.0°	180.0°
C07	N08	C09	N23	104.4°	61.1°
C07	N08	C09	C10	75.8°	118.9°
N08	C07	C24	H6	0.2°	0.0°
N08	C07	C06	H8	0.4°	0.0°
N08	C09	N23	C10	179.8°	180.0°
N08	C09	N23	C18	179.8°	179.8°
N08	C09	C10	N17	179.7°	180.0°
N08	C09	C10	C11	0.0°	0.3°
C09	N23	C18	C19	179.9°	179.9°
C09	N23	C18	N17	0.0°	0.4°
N23	C09	C10	N17	0.1°	0.0°
N23	C09	C10	C11	179.9°	179.7°
C09	N23	C22	H5	0.0°	0.0°
N23	C09	N08	H13	75.7°	118.9°
C18	N23	C09	C10	0.1°	0.2°
N23	C18	C19	N17	179.9°	179.6°
N23	C18	N17	C10	0.1°	0.4°
C18	N23	C22	H5	179.9°	179.7°
N23	C18	C19	H12	179.9°	179.7°
C09	C10	N17	C18	0.1°	0.3°
C09	C10	N17	C11	179.8°	179.7°
C09	C10	C11	C12	59.5°	144.7°
C09	C10	C11	C16	119.8°	35.9°
C10	C09	N08	H13	104.1°	61.1°
C19	C18	N17	C10	179.8°	180.0°
C18	C19	C20	H3	179.9°	179.9°
C18	N17	C10	C11	179.9°	180.0°
N17	C18	C19	H12	0.0°	0.8°
N17	C10	C11	C12	120.7°	34.9°
N17	C10	C11	C16	60.0°	144.5°
C10	C11	C12	C16	179.3°	179.4°
C10	C11	C12	C13	179.7°	180.0°
C10	C11	C16	C15	179.8°	179.7°
C10	C11	C12	H9	0.4°	0.0°
C10	C11	C16	H11	0.2°	0.1°
C11	C12	C13	H9	180.0°	180.0°
C11	C12	C13	C14	0.0°	0.1°
C12	C11	C16	C15	0.4°	0.9°
C11	C12	C13	H1	180.0°	179.8°
C12	C11	C16	H11	179.6°	179.5°
C16	C11	C12	C13	0.3°	0.6°
C11	C16	C15	H11	180.0°	179.7°
C11	C16	C15	C14	0.3°	0.6°
C11	C16	C15	H2	179.7°	179.5°
C16	C11	C12	H9	179.7°	179.4°
C12	C13	C14	H1	180.0°	179.8°
C12	C13	C14	C15	0.2°	0.2°
C12	C13	C14	H10	179.8°	179.7°
C13	C14	C15	C16	0.0°	0.1°
C13	C14	C15	H10	180.0°	179.9°
C13	C14	C15	H2	180.0°	180.0°
C14	C13	C12	H9	180.0°	180.0°
C16	C15	C14	H2	180.0°	179.9°
C16	C15	C14	H10	180.0°	180.0°
C15	C14	C13	H1	179.9°	180.0°
C14	C15	C16	H11	179.7°	179.7°
H1	C13	C12	H9	0.0°	0.2°
H1	C13	C14	H10	0.1°	0.1°
H2	C15	C14	H10	0.0°	0.1°
H2	C15	C16	H11	0.3°	0.2°
H3	C20	C21	H4	0.0°	0.5°
H3	C20	C19	H12	0.0°	0.8°
H4	C21	C22	H5	0.1°	0.1°
H7	C05	C06	H8	0.3°	0.3°

Release date:	2021-03-24
Definition date:	2020-03-20
Last modified:	2021-03-19
Release status:	REL
Processing site:	RCSB
Derived from:	6W7K