7YA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C27	C26	doub	1.38Å	1.39Å	Aromatic
C27	C21	sing	1.38Å	1.39Å	Aromatic
C19	N13	sing	1.47Å	1.48Å
C19	C21	sing	1.51Å	1.51Å
C26	C24	sing	1.38Å	1.37Å	Aromatic
N13	C12	sing	1.35Å	1.35Å
C21	C14	doub	1.38Å	1.39Å	Aromatic
O23	C18	sing	1.43Å	1.43Å
C12	O16	doub	1.21Å	1.22Å
C12	C18	sing	1.51Å	1.51Å
C28	C18	sing	1.53Å	1.53Å
C24	C9	doub	1.39Å	1.40Å	Aromatic
C14	C9	sing	1.39Å	1.39Å	Aromatic
C9	N3	sing	1.40Å	1.38Å
N3	C2	sing	1.36Å	1.35Å	Aromatic
N3	N5	sing	1.40Å	1.42Å	Aromatic
O15	C2	sing	1.36Å	1.36Å
C2	C1	doub	1.38Å	1.39Å	Aromatic
N5	C7	doub	1.31Å	1.30Å	Aromatic
C1	C7	sing	1.41Å	1.43Å	Aromatic
C1	C4	sing	1.48Å	1.47Å
N6	C4	sing	1.38Å	1.39Å	Aromatic
N6	C11	sing	1.37Å	1.36Å	Aromatic
C4	C8	doub	1.36Å	1.38Å	Aromatic
C11	C20	doub	1.39Å	1.40Å	Aromatic
C11	C10	sing	1.41Å	1.42Å	Aromatic
C20	C25	sing	1.38Å	1.38Å	Aromatic
C8	C10	sing	1.46Å	1.46Å	Aromatic
C10	C22	doub	1.39Å	1.40Å	Aromatic
C25	N17	doub	1.32Å	1.32Å	Aromatic
C22	N17	sing	1.32Å	1.32Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C24	H5	sing	1.08Å	1.08Å
C26	H6	sing	1.08Å	1.08Å
C28	H7	sing	1.09Å	1.10Å
C28	H8	sing	1.09Å	1.10Å
C28	H9	sing	1.09Å	1.10Å
N6	H11	sing	0.97Å	1.00Å
N13	H12	sing	0.97Å	1.00Å
C14	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.09Å	1.10Å
C19	H15	sing	1.09Å	1.10Å
C19	H16	sing	1.09Å	1.10Å
O23	H17	sing	0.97Å	0.95Å
C25	H18	sing	1.08Å	1.08Å
C27	H19	sing	1.08Å	1.08Å
O15	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C26	C27	C21	119.9°	120.2°
C27	C26	C24	121.0°	120.0°
C27	C26	H6	119.5°	120.0°
C26	C27	H19	120.1°	119.9°
C27	C21	C19	120.6°	120.0°
C27	C21	C14	119.3°	120.0°
C21	C27	H19	120.0°	120.0°
N13	C19	C21	110.0°	109.4°
C19	N13	C12	120.7°	120.0°
C19	N13	H12	119.7°	120.0°
N13	C19	H15	109.3°	109.4°
N13	C19	H16	109.3°	109.4°
C19	C21	C14	120.1°	120.0°
C21	C19	H15	109.3°	109.5°
C21	C19	H16	109.3°	109.5°
C26	C24	C9	119.1°	119.9°
C26	C24	H5	120.4°	120.0°
C24	C26	H6	119.5°	119.9°
N13	C12	O16	120.8°	120.0°
N13	C12	C18	120.6°	120.0°
C12	N13	H12	119.6°	120.0°
C21	C14	C9	120.3°	120.0°
C21	C14	H13	119.9°	120.0°
O23	C18	C12	111.4°	109.5°
O23	C18	C28	109.2°	109.5°
O23	C18	H14	110.4°	109.4°
C18	O23	H17	109.5°	114.0°
O16	C12	C18	118.6°	120.0°
C12	C18	C28	107.4°	109.5°
C12	C18	H14	109.4°	109.5°
C18	C28	H7	109.5°	109.5°
C18	C28	H8	109.4°	109.5°
C18	C28	H9	109.5°	109.5°
C28	C18	H14	109.0°	109.5°
C24	C9	C14	120.4°	119.9°
C24	C9	N3	121.9°	120.0°
C9	C24	H5	120.4°	120.1°
C14	C9	N3	117.7°	120.1°
C9	C14	H13	119.9°	120.0°
C9	N3	C2	126.6°	125.9°
C9	N3	N5	125.9°	125.9°
C2	N3	N5	107.5°	108.2°
N3	C2	O15	123.4°	126.5°
N3	C2	C1	109.2°	107.1°
N3	N5	C7	108.4°	109.0°
O15	C2	C1	127.4°	126.4°
C2	O15	H10	109.5°	114.1°
C2	C1	C7	105.2°	107.2°
C2	C1	C4	125.5°	126.4°
N5	C7	C1	109.7°	108.4°
N5	C7	H1	125.2°	125.8°
C7	C1	C4	129.2°	126.4°
C1	C7	H1	125.1°	125.8°
C1	C4	N6	122.3°	125.2°
C1	C4	C8	129.8°	125.3°
C4	N6	C11	110.7°	109.8°
N6	C4	C8	107.9°	109.6°
C4	N6	H11	124.6°	125.1°
N6	C11	C20	133.4°	134.4°
N6	C11	C10	107.9°	107.5°
C11	N6	H11	124.6°	125.1°
C4	C8	C10	107.5°	106.9°
C4	C8	H2	126.3°	126.5°
C20	C11	C10	118.7°	118.1°
C11	C20	C25	119.6°	118.9°
C11	C20	H3	120.2°	120.6°
C11	C10	C8	105.9°	106.1°
C11	C10	C22	117.5°	119.1°
C20	C25	N17	120.2°	121.5°
C25	C20	H3	120.2°	120.5°
C20	C25	H18	119.9°	119.3°
C8	C10	C22	136.5°	134.7°
C10	C8	H2	126.2°	126.6°
C10	C22	N17	121.2°	120.2°
C10	C22	H4	119.4°	120.0°
C25	N17	C22	122.8°	122.2°
N17	C25	H18	119.9°	119.2°
N17	C22	H4	119.4°	119.9°
H7	C28	H8	109.5°	109.4°
H7	C28	H9	109.4°	109.5°
H8	C28	H9	109.5°	109.5°
H15	C19	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C26	C27	C21	H19	180.0°	180.0°
C26	C27	C21	C19	179.9°	179.7°
C27	C26	C24	H6	180.0°	179.7°
C26	C27	C21	C14	0.9°	0.0°
C27	C26	C24	C9	0.8°	0.3°
C27	C26	C24	H5	179.1°	179.8°
C27	C21	C19	N13	118.6°	89.7°
C27	C21	C19	C14	179.0°	179.7°
C21	C27	C26	C24	0.4°	0.0°
C27	C21	C14	C9	1.8°	0.3°
C21	C27	C26	H6	179.6°	179.7°
C27	C21	C14	H13	178.3°	179.7°
C27	C21	C19	H15	121.3°	30.2°
C27	C21	C19	H16	1.5°	150.3°
N13	C19	C21	H15	120.1°	120.0°
N13	C19	C21	H16	120.1°	119.9°
C19	N13	C12	H12	180.0°	179.9°
N13	C19	C21	C14	62.4°	90.0°
C19	N13	C12	O16	0.6°	0.1°
C19	N13	C12	C18	179.8°	180.0°
N13	C19	H15	H16	119.8°	120.0°
C21	C19	N13	C12	105.0°	180.0°
C19	C21	C14	C9	179.2°	180.0°
C21	C19	N13	H12	75.0°	0.0°
C19	C21	C14	H13	0.8°	0.0°
C21	C19	H15	H16	119.7°	120.1°
C19	C21	C27	H19	0.1°	0.3°
C26	C24	C9	H5	180.0°	180.0°
C26	C24	C9	C14	1.7°	0.6°
C26	C24	C9	N3	179.8°	180.0°
C24	C26	C27	H19	179.6°	180.0°
N13	C12	C18	O23	4.5°	175.0°
N13	C12	O16	C18	179.2°	179.9°
N13	C12	C18	C28	124.0°	64.9°
N13	C12	C18	H14	117.8°	55.1°
C12	N13	C19	H15	15.1°	60.0°
C12	N13	C19	H16	134.9°	60.1°
C21	C14	C9	C24	2.2°	0.6°
C21	C14	C9	H13	180.0°	180.0°
C21	C14	C9	N3	179.6°	180.0°
C14	C21	C19	H15	57.7°	150.1°
C14	C21	C19	H16	177.5°	30.0°
C14	C21	C27	H19	179.1°	180.0°
O23	C18	C12	O16	174.8°	5.1°
O23	C18	C12	C28	119.6°	120.0°
O23	C18	C12	H14	122.3°	120.0°
O23	C18	C28	H14	120.7°	120.0°
O23	C18	C28	H7	180.0°	180.0°
O23	C18	C28	H8	60.0°	60.0°
O23	C18	C28	H9	60.0°	60.0°
O16	C12	C18	C28	55.2°	114.9°
O16	C12	N13	H12	179.4°	180.0°
O16	C12	C18	H14	63.0°	125.1°
C12	C18	C28	H14	118.4°	120.0°
C12	C18	C28	H7	59.0°	60.0°
C12	C18	C28	H8	179.1°	180.0°
C12	C18	C28	H9	61.0°	60.1°
C18	C12	N13	H12	0.2°	0.1°
C12	C18	O23	H17	180.0°	60.1°
C18	C28	H7	H8	120.0°	120.0°
C18	C28	H7	H9	120.0°	120.0°
C18	C28	H8	H9	120.0°	120.0°
C28	C18	O23	H17	61.5°	60.0°
C24	C9	C14	N3	178.2°	179.4°
C24	C9	N3	C2	45.0°	35.1°
C24	C9	N3	N5	137.6°	144.7°
C9	C24	C26	H6	179.2°	180.0°
C24	C9	C14	H13	177.8°	179.4°
C14	C9	N3	C2	133.1°	145.5°
C14	C9	N3	N5	44.2°	34.7°
C14	C9	C24	H5	178.3°	179.5°
C9	N3	C2	N5	177.7°	179.8°
C9	N3	C2	O15	2.5°	0.2°
C9	N3	C2	C1	179.0°	179.7°
C9	N3	N5	C7	178.4°	179.8°
N3	C9	C24	H5	0.1°	0.0°
N3	C9	C14	H13	0.4°	0.0°
N3	C2	O15	C1	178.3°	179.9°
C2	N3	N5	C7	0.6°	0.0°
N3	C2	C1	C7	1.4°	0.1°
N3	C2	C1	C4	178.4°	180.0°
N3	C2	O15	H10	180.0°	89.9°
N5	N3	C2	O15	179.8°	180.0°
N5	N3	C2	C1	1.3°	0.1°
N3	N5	C7	C1	0.3°	0.0°
N3	N5	C7	H1	179.7°	180.0°
O15	C2	C1	C7	179.9°	180.0°
O15	C2	C1	C4	3.2°	0.1°
C2	C1	C7	N5	1.0°	0.0°
C2	C1	C7	C4	176.8°	179.9°
C2	C1	C4	N6	5.0°	140.3°
C2	C1	C4	C8	173.5°	40.0°
C2	C1	C7	H1	179.0°	179.9°
C1	C2	O15	H10	1.7°	90.0°
N5	C7	C1	H1	180.0°	180.0°
N5	C7	C1	C4	177.8°	180.0°
C7	C1	C4	N6	178.8°	39.7°
C7	C1	C4	C8	2.8°	140.0°
C1	C4	N6	C8	178.7°	179.7°
C1	C4	N6	C11	178.8°	179.8°
C1	C4	C8	C10	179.0°	180.0°
C4	C1	C7	H1	2.2°	0.0°
C1	C4	C8	H2	1.0°	0.0°
C1	C4	N6	H11	1.2°	0.3°
C4	N6	C11	H11	180.0°	179.5°
C4	N6	C11	C20	178.6°	180.0°
C4	N6	C11	C10	0.3°	0.4°
N6	C4	C8	C10	0.4°	0.3°
N6	C4	C8	H2	179.6°	179.7°
C11	N6	C4	C8	0.1°	0.5°
N6	C11	C20	C10	178.2°	179.6°
N6	C11	C20	C25	179.9°	179.7°
N6	C11	C10	C8	0.5°	0.2°
N6	C11	C10	C22	179.7°	179.7°
N6	C11	C20	H3	0.2°	0.4°
C4	C8	C10	C11	0.5°	0.1°
C4	C8	C10	H2	180.0°	180.0°
C4	C8	C10	C22	179.8°	180.0°
C8	C4	N6	H11	179.9°	180.0°
C11	C20	C25	H3	180.0°	179.9°
C20	C11	C10	C8	179.1°	179.9°
C20	C11	C10	C22	1.1°	0.0°
C11	C20	C25	N17	1.0°	0.1°
C20	C11	N6	H11	1.4°	0.4°
C11	C20	C25	H18	179.0°	180.0°
C10	C11	C20	C25	1.9°	0.1°
C11	C10	C8	C22	179.7°	180.0°
C11	C10	C22	N17	0.7°	0.0°
C11	C10	C8	H2	179.5°	180.0°
C10	C11	C20	H3	178.1°	180.0°
C11	C10	C22	H4	179.3°	179.9°
C10	C11	N6	H11	179.7°	180.0°
C20	C25	N17	H18	180.0°	179.8°
C20	C25	N17	C22	0.9°	0.1°
C8	C10	C22	N17	179.0°	179.9°
C8	C10	C22	H4	1.0°	0.0°
C10	C22	N17	C25	1.7°	0.0°
C10	C22	N17	H4	180.0°	179.9°
C22	C10	C8	H2	0.3°	0.0°
N17	C25	C20	H3	179.0°	180.0°
C25	N17	C22	H4	178.3°	180.0°
C22	N17	C25	H18	179.1°	179.9°
H3	C20	C25	H18	1.0°	0.1°
H5	C24	C26	H6	0.8°	0.0°
H6	C26	C27	H19	0.4°	0.3°
H7	C28	H8	H9	120.0°	120.0°
H7	C28	C18	H14	59.3°	60.0°
H8	C28	C18	H14	60.7°	59.9°
H9	C28	C18	H14	179.3°	179.9°
H12	N13	C19	H15	164.9°	120.0°
H12	N13	C19	H16	45.1°	120.0°
H14	C18	O23	H17	58.3°	179.9°

Release date:	2017-06-21
Definition date:	2016-12-13
Last modified:	2017-06-16
Release status:	REL
Processing site:	RCSB
Derived from:	5PAE