1XT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C17	sing	1.36Å	1.37Å
O16	C15	sing	1.43Å	1.38Å
C18	C17	doub	1.39Å	1.38Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C17	C22	sing	1.39Å	1.39Å	Aromatic
O37	C35	doub	1.22Å	1.26Å
C19	C20	doub	1.40Å	1.38Å	Aromatic
C15	C12	sing	1.51Å	1.49Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.40Å	1.39Å	Aromatic
C20	C23	sing	1.48Å	1.50Å
C24	C23	doub	1.37Å	1.43Å	Aromatic
C24	C25	sing	1.41Å	1.42Å	Aromatic
C23	N27	sing	1.37Å	1.34Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C35	C25	sing	1.48Å	1.49Å
C35	O36	sing	1.35Å	1.26Å
C25	N26	doub	1.32Å	1.32Å	Aromatic
C34	C30	sing	1.51Å	1.49Å
C29	C30	doub	1.38Å	1.38Å	Aromatic
C29	C28	sing	1.39Å	1.39Å	Aromatic
N27	N26	sing	1.29Å	1.32Å	Aromatic
N27	C28	sing	1.40Å	1.43Å
C14	C09	doub	1.40Å	1.39Å	Aromatic
C30	C31	sing	1.38Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C28	C33	doub	1.39Å	1.39Å	Aromatic
C09	C10	sing	1.40Å	1.39Å	Aromatic
C09	C07	sing	1.48Å	1.49Å
C31	C32	doub	1.38Å	1.39Å	Aromatic
C33	C32	sing	1.38Å	1.38Å	Aromatic
C07	C06	doub	1.37Å	1.40Å	Aromatic
C07	O08	sing	1.34Å	1.31Å	Aromatic
C06	C05	sing	1.40Å	1.43Å	Aromatic
O08	C04	sing	1.35Å	1.31Å	Aromatic
C05	C04	doub	1.38Å	1.40Å	Aromatic
C04	C01	sing	1.46Å	1.49Å
C01	O03	doub	1.22Å	1.27Å
C01	O02	sing	1.35Å	1.27Å
O02	H1	sing	0.97Å	0.95Å
C05	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.08Å	1.08Å
C24	H14	sing	1.08Å	1.08Å
C29	H15	sing	1.08Å	1.08Å
C31	H16	sing	1.08Å	1.08Å
C32	H17	sing	1.08Å	1.08Å
C33	H18	sing	1.08Å	1.08Å
C34	H19	sing	1.09Å	1.10Å
C34	H20	sing	1.09Å	1.10Å
C34	H21	sing	1.09Å	1.10Å
O36	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	O16	C15	118.3°	117.0°
O16	C17	C18	119.8°	119.9°
O16	C17	C22	120.1°	119.9°
O16	C15	C12	117.7°	109.5°
O16	C15	H8	107.4°	109.5°
O16	C15	H9	107.4°	109.5°
C17	C18	C19	120.4°	120.1°
C18	C17	C22	120.1°	120.2°
C17	C18	H10	119.8°	120.0°
C18	C19	C20	119.8°	119.9°
C19	C18	H10	119.8°	119.9°
C18	C19	H11	120.1°	120.1°
C17	C22	C21	119.2°	120.0°
C17	C22	H13	120.4°	120.0°
O37	C35	C25	120.6°	120.0°
O37	C35	O36	120.6°	120.0°
C19	C20	C21	119.4°	119.9°
C19	C20	C23	121.7°	120.1°
C20	C19	H11	120.1°	120.1°
C15	C12	C13	119.2°	119.8°
C15	C12	C11	120.3°	119.9°
C12	C15	H8	107.4°	109.5°
C12	C15	H9	107.4°	109.5°
C22	C21	C20	121.0°	119.9°
C22	C21	H12	119.5°	120.0°
C21	C22	H13	120.4°	119.9°
C21	C20	C23	118.9°	120.1°
C20	C21	H12	119.5°	120.0°
C20	C23	C24	125.7°	126.6°
C20	C23	N27	127.7°	126.6°
C23	C24	C25	104.9°	105.5°
C24	C23	N27	106.6°	106.8°
C23	C24	H14	127.5°	127.3°
C24	C25	C35	128.3°	126.4°
C24	C25	N26	107.1°	107.4°
C25	C24	H14	127.5°	127.3°
C23	N27	N26	110.4°	109.9°
C23	N27	C28	128.1°	125.1°
C12	C13	C14	119.9°	120.2°
C13	C12	C11	120.5°	120.3°
C12	C13	H6	120.0°	119.9°
C13	C14	C09	119.8°	119.8°
C14	C13	H6	120.1°	119.9°
C13	C14	H7	120.1°	120.1°
C12	C11	C10	119.6°	120.2°
C12	C11	H5	120.2°	119.9°
C25	C35	O36	118.7°	120.1°
C35	C25	N26	124.6°	126.3°
C35	O36	H22	109.5°	117.0°
C25	N26	N27	111.0°	110.4°
C34	C30	C29	120.0°	119.9°
C34	C30	C31	120.3°	120.0°
C30	C34	H19	109.5°	109.5°
C30	C34	H20	109.5°	109.4°
C30	C34	H21	109.5°	109.5°
C30	C29	C28	119.7°	119.9°
C29	C30	C31	119.7°	120.0°
C30	C29	H15	120.1°	120.0°
C29	C28	N27	119.8°	120.1°
C29	C28	C33	120.5°	119.8°
C28	C29	H15	120.1°	120.1°
N26	N27	C28	121.6°	125.0°
N27	C28	C33	119.7°	120.1°
C14	C09	C10	120.4°	119.7°
C14	C09	C07	120.2°	120.2°
C09	C14	H7	120.1°	120.1°
C30	C31	C32	120.7°	120.2°
C30	C31	H16	119.7°	119.9°
C11	C10	C09	119.8°	119.8°
C11	C10	H4	120.1°	120.1°
C10	C11	H5	120.2°	119.9°
C28	C33	C32	119.8°	119.9°
C28	C33	H18	120.1°	120.0°
C10	C09	C07	119.4°	120.1°
C09	C10	H4	120.1°	120.1°
C09	C07	C06	127.1°	125.6°
C09	C07	O08	123.9°	125.7°
C31	C32	C33	119.6°	120.1°
C32	C31	H16	119.7°	119.9°
C31	C32	H17	120.2°	119.9°
C33	C32	H17	120.2°	120.0°
C32	C33	H18	120.1°	120.1°
C06	C07	O08	109.0°	108.7°
C07	C06	C05	105.5°	107.1°
C07	C06	H3	127.3°	126.5°
C07	O08	C04	111.3°	109.4°
C06	C05	C04	104.8°	106.8°
C06	C05	H2	127.6°	126.6°
C05	C06	H3	127.3°	126.5°
O08	C04	C05	109.3°	108.1°
O08	C04	C01	123.2°	126.0°
C05	C04	C01	127.5°	126.0°
C04	C05	H2	127.6°	126.6°
C04	C01	O03	118.1°	120.0°
C04	C01	O02	120.7°	120.0°
O03	C01	O02	121.1°	120.0°
C01	O02	H1	109.5°	114.0°
H8	C15	H9	109.5°	109.5°
H19	C34	H20	109.5°	109.5°
H19	C34	H21	109.5°	109.5°
H20	C34	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C17	C18	C22	179.7°	179.7°
O16	C17	C18	C19	179.6°	180.0°
C17	O16	C15	C12	112.9°	180.0°
O16	C17	C22	C21	179.5°	179.7°
C17	O16	C15	H8	125.9°	60.0°
C17	O16	C15	H9	8.3°	60.0°
O16	C17	C18	H10	0.4°	0.0°
O16	C17	C22	H13	0.5°	0.0°
C15	O16	C17	C18	55.6°	0.3°
C15	O16	C17	C22	124.7°	180.0°
O16	C15	C12	H8	121.2°	120.1°
O16	C15	C12	H9	121.2°	120.0°
O16	C15	C12	C13	132.9°	90.1°
O16	C15	C12	C11	47.2°	90.0°
O16	C15	H8	H9	116.3°	120.0°
C17	C18	C19	H10	180.0°	180.0°
C17	C18	C19	C20	0.1°	0.1°
C18	C17	C22	C21	0.2°	0.5°
C17	C18	C19	H11	179.9°	180.0°
C18	C17	C22	H13	179.8°	179.7°
C19	C18	C17	C22	0.0°	0.2°
C18	C19	C20	H11	180.0°	180.0°
C18	C19	C20	C21	0.1°	0.1°
C18	C19	C20	C23	179.5°	180.0°
C17	C22	C21	H13	180.0°	179.8°
C17	C22	C21	C20	0.1°	0.5°
C22	C17	C18	H10	179.9°	179.7°
C17	C22	C21	H12	179.8°	179.7°
O37	C35	C25	C24	50.6°	0.0°
O37	C35	C25	O36	179.4°	180.0°
O37	C35	C25	N26	129.9°	179.9°
O37	C35	O36	H22	0.0°	0.0°
C19	C20	C21	C22	0.0°	0.2°
C19	C20	C21	C23	179.4°	180.0°
C19	C20	C23	C24	135.3°	26.9°
C19	C20	C23	N27	46.2°	153.4°
C20	C19	C18	H10	179.9°	180.0°
C19	C20	C21	H12	180.0°	180.0°
C15	C12	C13	C11	179.9°	180.0°
C15	C12	C13	C14	179.8°	179.7°
C15	C12	C11	C10	179.8°	180.0°
C15	C12	C11	H5	0.2°	0.0°
C15	C12	C13	H6	0.2°	0.0°
C12	C15	H8	H9	116.3°	120.0°
C22	C21	C20	H12	180.0°	179.7°
C22	C21	C20	C23	179.4°	179.7°
C21	C20	C23	C24	45.4°	153.1°
C21	C20	C23	N27	133.2°	26.6°
C21	C20	C19	H11	179.9°	180.0°
C20	C21	C22	H13	179.9°	179.7°
C20	C23	C24	N27	178.8°	179.7°
C20	C23	C24	C25	179.5°	180.0°
C20	C23	N27	N26	179.4°	179.8°
C20	C23	N27	C28	0.9°	0.0°
C23	C20	C19	H11	0.5°	0.0°
C23	C20	C21	H12	0.6°	0.0°
C20	C23	C24	H14	0.5°	0.1°
C23	C24	C25	H14	180.0°	179.9°
C23	C24	C25	C35	180.0°	180.0°
C23	C24	C25	N26	0.5°	0.0°
C24	C23	N27	N26	0.6°	0.4°
C24	C23	N27	C28	179.7°	179.8°
C25	C24	C23	N27	0.6°	0.3°
C24	C25	C35	N26	179.5°	180.0°
C24	C25	C35	O36	130.0°	180.0°
C24	C25	N26	N27	0.1°	0.3°
C23	N27	N26	C25	0.3°	0.4°
C23	N27	C28	C29	88.1°	45.5°
C23	N27	N26	C28	179.7°	179.8°
C23	N27	C28	C33	93.8°	134.7°
N27	C23	C24	H14	179.3°	179.8°
C12	C13	C14	H6	180.0°	179.7°
C12	C13	C14	C09	0.4°	0.6°
C13	C12	C11	C10	0.2°	0.0°
C13	C12	C11	H5	179.8°	180.0°
C12	C13	C14	H7	179.6°	180.0°
C13	C12	C15	H8	11.8°	30.0°
C13	C12	C15	H9	105.9°	150.0°
C14	C13	C12	C11	0.2°	0.3°
C13	C14	C09	H7	180.0°	179.5°
C13	C14	C09	C10	0.3°	0.5°
C13	C14	C09	C07	179.4°	179.7°
C12	C11	C10	H5	180.0°	180.0°
C12	C11	C10	C09	0.3°	0.0°
C12	C11	C10	H4	179.6°	180.0°
C11	C12	C13	H6	179.7°	180.0°
C11	C12	C15	H8	168.3°	150.0°
C11	C12	C15	H9	74.0°	30.0°
C35	C25	N26	N27	179.7°	179.8°
C35	C25	C24	H14	0.1°	0.0°
C25	C35	O36	H22	179.4°	180.0°
O36	C35	C25	N26	49.4°	0.0°
C25	N26	N27	C28	180.0°	179.8°
N26	C25	C24	H14	179.5°	179.9°
C34	C30	C29	C31	179.8°	180.0°
C34	C30	C29	C28	179.4°	180.0°
C34	C30	C31	C32	179.8°	180.0°
C34	C30	C29	H15	0.6°	0.0°
C34	C30	C31	H16	0.2°	0.1°
C30	C34	H19	H20	120.0°	120.0°
C30	C34	H19	H21	120.0°	120.0°
C30	C34	H20	H21	120.0°	120.0°
C30	C29	C28	H15	180.0°	179.9°
C30	C29	C28	N27	179.0°	180.0°
C30	C29	C28	C33	0.9°	0.2°
C29	C30	C31	C32	0.0°	0.0°
C29	C30	C31	H16	180.0°	179.9°
C29	C30	C34	H19	90.1°	90.0°
C29	C30	C34	H20	149.9°	150.0°
C29	C30	C34	H21	29.9°	30.0°
C29	C28	N27	N26	91.6°	134.2°
C29	C28	N27	C33	178.1°	179.8°
C28	C29	C30	C31	0.4°	0.1°
C29	C28	C33	C32	1.1°	0.5°
C29	C28	C33	H18	178.9°	179.7°
N26	N27	C28	C33	86.5°	45.5°
N27	C28	C33	C32	179.2°	179.7°
N27	C28	C29	H15	1.0°	0.1°
N27	C28	C33	H18	0.8°	0.1°
C14	C09	C10	C11	0.1°	0.2°
C14	C09	C10	C07	179.6°	179.8°
C14	C09	C07	C06	11.7°	0.2°
C14	C09	C07	O08	169.3°	180.0°
C14	C09	C10	H4	179.9°	179.8°
C09	C14	C13	H6	179.5°	179.7°
C30	C31	C32	H16	180.0°	179.9°
C30	C31	C32	C33	0.2°	0.3°
C31	C30	C29	H15	179.6°	180.0°
C30	C31	C32	H17	179.8°	180.0°
C31	C30	C34	H19	90.1°	90.0°
C31	C30	C34	H20	29.9°	30.0°
C31	C30	C34	H21	149.9°	150.0°
C11	C10	C09	H4	180.0°	180.0°
C11	C10	C09	C07	179.8°	180.0°
C28	C33	C32	C31	0.7°	0.5°
C28	C33	C32	H18	180.0°	179.8°
C33	C28	C29	H15	179.1°	179.7°
C28	C33	C32	H17	179.3°	179.7°
C10	C09	C07	C06	167.9°	180.0°
C10	C09	C07	O08	11.0°	0.2°
C09	C10	C11	H5	179.7°	180.0°
C10	C09	C14	H7	179.8°	180.0°
C09	C07	C06	O08	179.1°	179.8°
C09	C07	C06	C05	179.5°	180.0°
C09	C07	O08	C04	179.6°	179.8°
C09	C07	C06	H3	0.5°	0.1°
C07	C09	C10	H4	0.2°	0.0°
C07	C09	C14	H7	0.6°	0.2°
C31	C32	C33	H17	180.0°	179.7°
C31	C32	C33	H18	179.3°	179.7°
C33	C32	C31	H16	179.8°	179.8°
C07	C06	C05	H3	180.0°	180.0°
C06	C07	O08	C04	0.5°	0.4°
C07	C06	C05	C04	0.3°	0.0°
C07	C06	C05	H2	179.7°	180.0°
O08	C07	C06	C05	0.5°	0.2°
C07	O08	C04	C05	0.3°	0.4°
C07	O08	C04	C01	179.5°	179.8°
O08	C07	C06	H3	179.5°	179.8°
C06	C05	C04	O08	0.0°	0.2°
C06	C05	C04	H2	180.0°	180.0°
C06	C05	C04	C01	179.8°	180.0°
O08	C04	C05	C01	179.7°	179.8°
O08	C04	C01	O03	7.3°	179.7°
O08	C04	C01	O02	173.0°	0.1°
O08	C04	C05	H2	180.0°	179.8°
C05	C04	C01	O03	172.4°	0.1°
C05	C04	C01	O02	7.3°	179.7°
C04	C05	C06	H3	179.7°	180.0°
C04	C01	O03	O02	179.7°	179.6°
C04	C01	O02	H1	179.7°	179.7°
C01	C04	C05	H2	0.2°	0.0°
O03	C01	O02	H1	0.0°	0.1°
H2	C05	C06	H3	0.3°	0.0°
H4	C10	C11	H5	0.4°	0.0°
H6	C13	C14	H7	0.5°	0.2°
H10	C18	C19	H11	0.1°	0.0°
H12	C21	C22	H13	0.2°	0.0°
H16	C31	C32	H17	0.1°	0.0°
H17	C32	C33	H18	0.7°	0.1°
H19	C34	H20	H21	120.0°	120.0°

Release date:	2013-12-11
Definition date:	2013-07-30
Last modified:	2013-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	4LUZ