027

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	N1	doub	1.31Å	1.34Å
N2	N1	sing	1.39Å	1.41Å
C4	N2	sing	1.35Å	1.42Å
N2	C19	sing	1.46Å	1.47Å
C6	C3	sing	1.47Å	1.49Å
C3	N8	sing	1.39Å	1.36Å
C5	C4	sing	1.47Å	1.39Å
O18	C4	doub	1.22Å	1.26Å
C13	C5	doub	1.39Å	1.29Å	Aromatic
C5	C6	sing	1.41Å	1.49Å	Aromatic
C16	C6	doub	1.40Å	1.29Å	Aromatic
N8	C7	sing	1.40Å	1.36Å
N11	C7	doub	1.31Å	1.34Å	Aromatic
C7	C9	sing	1.41Å	1.33Å	Aromatic
N8	HN8	sing	0.97Å	1.00Å
C9	C15	doub	1.35Å	1.34Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
N11	N10	sing	1.40Å	1.41Å	Aromatic
N10	C15	sing	1.35Å	1.34Å	Aromatic
C22	N12	sing	1.47Å	1.48Å
N12	C21	sing	1.47Å	1.48Å
N12	C14	sing	1.40Å	1.43Å
C14	C13	sing	1.39Å	1.37Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C20	doub	1.39Å	1.37Å	Aromatic
C15	C26	sing	1.51Å	1.51Å
C20	C16	sing	1.37Å	1.39Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C25	N17	sing	1.47Å	1.47Å
C23	N17	sing	1.47Å	1.47Å
N17	C24	sing	1.47Å	1.47Å
C19	C27	sing	1.53Å	1.52Å
C19	C28	sing	1.53Å	1.53Å
C19	H19	sing	1.09Å	1.10Å
C20	H20	sing	1.08Å	1.08Å
C24	C21	sing	1.53Å	1.53Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C23	C22	sing	1.53Å	1.53Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C25	H25B	sing	1.09Å	1.10Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C26	H26B	sing	1.09Å	1.10Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C27	H27B	sing	1.09Å	1.10Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C28	H28B	sing	1.09Å	1.10Å
N10	HN10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N1	N2	122.9°	122.6°
N1	C3	C6	118.3°	119.9°
N1	C3	N8	122.4°	120.0°
N1	N2	C4	121.5°	121.8°
N1	N2	C19	118.9°	119.1°
C4	N2	C19	119.6°	119.1°
N2	C4	C5	119.5°	118.9°
N2	C4	O18	120.6°	120.6°
N2	C19	C27	109.7°	109.5°
N2	C19	C28	110.9°	109.4°
N2	C19	H19	109.0°	109.5°
C6	C3	N8	119.3°	120.1°
C3	C6	C5	118.9°	118.5°
C3	C6	C16	121.5°	121.7°
C3	N8	C7	127.8°	120.0°
C3	N8	HN8	116.1°	119.9°
C5	C4	O18	119.9°	120.5°
C4	C5	C13	121.6°	121.9°
C4	C5	C6	118.9°	118.3°
C13	C5	C6	119.5°	119.8°
C5	C13	C14	120.9°	119.3°
C5	C13	H13	119.6°	120.3°
C5	C6	C16	119.5°	119.8°
C6	C16	C20	119.4°	119.8°
C6	C16	H16	120.3°	120.1°
N8	C7	N11	120.9°	126.0°
N8	C7	C9	127.8°	126.0°
C7	N8	HN8	116.1°	120.0°
N11	C7	C9	111.2°	108.0°
C7	N11	N10	105.0°	108.2°
C7	C9	C15	107.3°	107.9°
C7	C9	H9	126.4°	126.0°
C15	C9	H9	126.3°	126.1°
C9	C15	N10	109.8°	107.9°
C9	C15	C26	117.6°	126.1°
N11	N10	C15	106.7°	108.0°
N11	N10	HN10	126.7°	126.0°
N10	C15	C26	132.6°	126.1°
C15	N10	HN10	126.7°	126.0°
C22	N12	C21	110.2°	110.9°
C22	N12	C14	110.4°	111.0°
N12	C22	C23	111.7°	109.4°
N12	C22	H22	108.7°	109.5°
N12	C22	H22A	108.7°	109.5°
C21	N12	C14	110.6°	111.0°
N12	C21	C24	110.0°	109.4°
N12	C21	H21	109.3°	109.5°
N12	C21	H21A	109.3°	109.5°
N12	C14	C13	120.4°	119.7°
N12	C14	C20	120.0°	119.8°
C14	C13	H13	119.6°	120.3°
C13	C14	C20	119.6°	120.5°
C14	C20	C16	121.1°	120.8°
C14	C20	H20	119.4°	119.6°
C15	C26	H26	109.5°	109.5°
C15	C26	H26A	109.5°	109.4°
C15	C26	H26B	109.5°	109.5°
C20	C16	H16	120.3°	120.1°
C16	C20	H20	119.5°	119.6°
C25	N17	C23	110.0°	111.0°
C25	N17	C24	108.8°	111.0°
N17	C25	H25	109.5°	109.5°
N17	C25	H25A	109.4°	109.5°
N17	C25	H25B	109.4°	109.4°
C23	N17	C24	109.9°	110.9°
N17	C23	C22	109.7°	109.4°
N17	C23	H23	109.4°	109.5°
N17	C23	H23A	109.4°	109.5°
N17	C24	C21	108.4°	109.4°
N17	C24	H24	109.8°	109.5°
N17	C24	H24A	109.8°	109.4°
C27	C19	C28	111.3°	109.4°
C27	C19	H19	108.6°	109.5°
C19	C27	H27	109.5°	109.5°
C19	C27	H27A	109.5°	109.5°
C19	C27	H27B	109.5°	109.5°
C28	C19	H19	107.3°	109.5°
C19	C28	H28	109.5°	109.4°
C19	C28	H28A	109.5°	109.5°
C19	C28	H28B	109.4°	109.5°
C24	C21	H21	109.3°	109.5°
C24	C21	H21A	109.3°	109.5°
C21	C24	H24	109.8°	109.5°
C21	C24	H24A	109.8°	109.5°
H21	C21	H21A	109.7°	109.5°
C23	C22	H22	108.7°	109.5°
C23	C22	H22A	108.7°	109.5°
C22	C23	H23	109.4°	109.5°
C22	C23	H23A	109.4°	109.4°
H22	C22	H22A	110.2°	109.5°
H23	C23	H23A	109.5°	109.5°
H24	C24	H24A	109.2°	109.5°
H25	C25	H25A	109.5°	109.4°
H25	C25	H25B	109.5°	109.5°
H25A	C25	H25B	109.5°	109.5°
H26	C26	H26A	109.4°	109.5°
H26	C26	H26B	109.5°	109.5°
H26A	C26	H26B	109.5°	109.4°
H27	C27	H27A	109.4°	109.4°
H27	C27	H27B	109.5°	109.5°
H27A	C27	H27B	109.5°	109.4°
H28	C28	H28A	109.5°	109.5°
H28	C28	H28B	109.5°	109.5°
H28A	C28	H28B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	N1	N2	C4	0.5°	0.1°
C3	N1	N2	C19	180.0°	180.0°
N1	C3	C6	N8	179.6°	180.0°
N1	C3	C6	C5	0.3°	0.0°
N1	C3	C6	C16	179.9°	180.0°
N1	C3	N8	C7	12.3°	0.0°
N1	C3	N8	HN8	167.7°	180.0°
N1	N2	C4	C19	179.4°	179.9°
N2	N1	C3	C6	0.2°	0.0°
N2	N1	C3	N8	179.4°	180.0°
N1	N2	C4	C5	0.4°	0.1°
N1	N2	C4	O18	179.6°	179.9°
N1	N2	C19	C27	69.2°	60.0°
N1	N2	C19	C28	54.1°	60.0°
N1	N2	C19	H19	172.0°	180.0°
N2	C4	C5	O18	180.0°	180.0°
N2	C4	C5	C13	179.9°	180.0°
N2	C4	C5	C6	0.1°	0.1°
C4	N2	C19	C27	110.2°	120.0°
C4	N2	C19	C28	126.5°	120.1°
C4	N2	C19	H19	8.5°	0.1°
C19	N2	C4	C5	179.8°	180.0°
C19	N2	C4	O18	0.2°	0.0°
N2	C19	C27	C28	123.1°	120.0°
N2	C19	C27	H19	119.0°	120.0°
N2	C19	C28	H19	118.9°	120.0°
N2	C19	C27	H27	180.0°	60.0°
N2	C19	C27	H27A	60.0°	180.0°
N2	C19	C27	H27B	60.0°	60.1°
N2	C19	C28	H28	180.0°	180.0°
N2	C19	C28	H28A	60.0°	60.0°
N2	C19	C28	H28B	60.0°	60.0°
C3	C6	C5	C4	0.5°	0.0°
C3	C6	C5	C13	179.8°	180.0°
C3	C6	C5	C16	179.8°	180.0°
C6	C3	N8	C7	168.1°	180.0°
C6	C3	N8	HN8	11.9°	0.1°
C3	C6	C16	C20	179.7°	180.0°
C3	C6	C16	H16	0.3°	0.0°
N8	C3	C6	C5	179.9°	180.0°
N8	C3	C6	C16	0.3°	0.0°
C3	N8	C7	HN8	180.0°	179.9°
C3	N8	C7	N11	168.9°	179.7°
C3	N8	C7	C9	12.0°	0.0°
C4	C5	C13	C6	179.7°	180.0°
C4	C5	C6	C16	179.8°	180.0°
C4	C5	C13	C14	180.0°	180.0°
C4	C5	C13	H13	0.0°	0.0°
O18	C4	C5	C13	0.1°	0.0°
O18	C4	C5	C6	179.9°	180.0°
C13	C5	C6	C16	0.0°	0.1°
C5	C13	C14	N12	179.9°	180.0°
C5	C13	C14	H13	180.0°	180.0°
C5	C13	C14	C20	0.4°	0.1°
C6	C5	C13	C14	0.3°	0.1°
C6	C5	C13	H13	179.8°	179.9°
C5	C6	C16	C20	0.1°	0.1°
C5	C6	C16	H16	179.9°	180.0°
C6	C16	C20	C14	0.1°	0.1°
C6	C16	C20	H16	180.0°	180.0°
C6	C16	C20	H20	179.9°	180.0°
N8	C7	N11	C9	179.3°	179.8°
N8	C7	C9	C15	179.8°	180.0°
N8	C7	C9	H9	0.2°	0.1°
N8	C7	N11	N10	179.8°	179.8°
N11	C7	N8	HN8	11.1°	0.3°
N11	C7	C9	C15	0.6°	0.2°
N11	C7	C9	H9	179.4°	179.7°
C7	N11	N10	C15	0.3°	0.2°
C7	N11	N10	HN10	179.6°	179.9°
C9	C7	N8	HN8	168.0°	179.9°
C7	C9	C15	H9	180.0°	179.9°
C9	C7	N11	N10	0.6°	0.0°
C7	C9	C15	N10	0.3°	0.4°
C7	C9	C15	C26	180.0°	180.0°
C9	C15	N10	N11	0.0°	0.4°
C9	C15	N10	C26	179.6°	179.6°
C9	C15	C26	H26	90.2°	90.0°
C9	C15	C26	H26A	149.9°	150.0°
C9	C15	C26	H26B	29.9°	30.0°
C9	C15	N10	HN10	180.0°	180.0°
H9	C9	C15	N10	179.6°	179.6°
H9	C9	C15	C26	0.0°	0.1°
N11	N10	C15	HN10	180.0°	179.7°
N11	N10	C15	C26	179.6°	180.0°
N10	C15	C26	H26	90.2°	89.5°
N10	C15	C26	H26A	29.7°	30.5°
N10	C15	C26	H26B	149.7°	150.4°
C22	N12	C21	C14	122.4°	123.9°
C22	N12	C14	C13	152.8°	56.3°
C22	N12	C14	C20	27.7°	123.8°
N12	C22	C23	N17	55.5°	58.4°
C22	N12	C21	C24	57.3°	59.3°
C22	N12	C21	H21	62.6°	60.6°
C22	N12	C21	H21A	177.3°	179.3°
N12	C22	C23	H22	120.0°	120.0°
N12	C22	C23	H22A	120.0°	120.0°
N12	C22	H22	H22A	119.0°	120.1°
N12	C22	C23	H23	175.5°	178.4°
N12	C22	C23	H23A	64.5°	61.5°
C21	N12	C14	C13	30.5°	180.0°
C21	N12	C14	C20	150.0°	0.1°
N12	C21	C24	N17	61.5°	58.4°
N12	C21	C24	H21	120.0°	120.0°
N12	C21	C24	H21A	120.0°	120.0°
N12	C21	H21	H21A	119.8°	120.1°
C21	N12	C22	C23	54.5°	59.3°
C21	N12	C22	H22	174.5°	179.3°
C21	N12	C22	H22A	65.5°	60.7°
N12	C21	C24	H24	58.5°	61.5°
N12	C21	C24	H24A	178.5°	178.3°
N12	C14	C13	C20	179.5°	179.9°
N12	C14	C13	H13	0.1°	0.0°
N12	C14	C20	C16	179.8°	180.0°
N12	C14	C20	H20	0.2°	0.1°
C14	N12	C21	C24	179.8°	176.8°
C14	N12	C21	H21	59.8°	63.2°
C14	N12	C21	H21A	60.3°	56.9°
C14	N12	C22	C23	177.0°	176.9°
C14	N12	C22	H22	63.0°	56.9°
C14	N12	C22	H22A	57.0°	63.1°
C13	C14	C20	C16	0.3°	0.1°
C13	C14	C20	H20	179.7°	180.0°
H13	C13	C14	C20	179.6°	179.9°
C14	C20	C16	H20	180.0°	179.9°
C14	C20	C16	H16	179.9°	179.9°
C15	C26	H26	H26A	120.0°	120.0°
C15	C26	H26	H26B	120.0°	120.0°
C15	C26	H26A	H26B	120.0°	120.0°
C26	C15	N10	HN10	0.4°	0.3°
H16	C16	C20	H20	0.1°	0.0°
C25	N17	C23	C24	119.7°	123.9°
C25	N17	C24	C21	176.8°	176.8°
C25	N17	C23	C22	179.4°	176.8°
C25	N17	C23	H23	60.6°	56.8°
C25	N17	C23	H23A	59.4°	63.2°
C25	N17	C24	H24	63.2°	63.2°
C25	N17	C24	H24A	56.8°	56.8°
N17	C25	H25	H25A	120.0°	120.0°
N17	C25	H25	H25B	120.0°	120.0°
N17	C25	H25A	H25B	120.0°	120.0°
C23	N17	C24	C21	62.8°	59.3°
N17	C23	C22	H23	120.0°	120.0°
N17	C23	C22	H23A	120.0°	119.9°
N17	C23	C22	H22	175.5°	178.4°
N17	C23	C22	H22A	64.5°	61.6°
N17	C23	H23	H23A	119.9°	120.0°
C23	N17	C24	H24	57.2°	60.6°
C23	N17	C24	H24A	177.3°	179.3°
C23	N17	C25	H25	180.0°	63.8°
C23	N17	C25	H25A	60.0°	56.2°
C23	N17	C25	H25B	60.0°	176.2°
N17	C24	C21	H24	120.0°	120.0°
N17	C24	C21	H24A	120.0°	119.9°
N17	C24	C21	H21	58.5°	61.5°
N17	C24	C21	H21A	178.5°	178.4°
C24	N17	C23	C22	59.7°	59.3°
C24	N17	C23	H23	179.7°	179.3°
C24	N17	C23	H23A	60.3°	60.6°
N17	C24	H24	H24A	120.5°	120.0°
C24	N17	C25	H25	59.6°	60.0°
C24	N17	C25	H25A	60.4°	180.0°
C24	N17	C25	H25B	179.6°	60.0°
C27	C19	C28	H19	118.7°	120.0°
C19	C27	H27	H27A	120.0°	120.1°
C19	C27	H27	H27B	120.0°	120.0°
C19	C27	H27A	H27B	120.0°	120.0°
C27	C19	C28	H28	57.6°	60.0°
C27	C19	C28	H28A	62.4°	60.0°
C27	C19	C28	H28B	177.6°	180.0°
C28	C19	C27	H27	56.9°	60.0°
C28	C19	C27	H27A	176.9°	60.0°
C28	C19	C27	H27B	63.1°	180.0°
C19	C28	H28	H28A	120.0°	120.0°
C19	C28	H28	H28B	120.0°	120.0°
C19	C28	H28A	H28B	120.0°	120.0°
H19	C19	C27	H27	61.0°	180.0°
H19	C19	C27	H27A	59.0°	60.0°
H19	C19	C27	H27B	179.0°	60.0°
H19	C19	C28	H28	61.1°	60.0°
H19	C19	C28	H28A	178.9°	180.0°
H19	C19	C28	H28B	58.9°	60.0°
C24	C21	H21	H21A	119.8°	120.1°
C21	C24	H24	H24A	120.4°	120.1°
H21	C21	C24	H24	178.5°	178.5°
H21	C21	C24	H24A	61.5°	58.4°
H21A	C21	C24	H24	61.5°	58.4°
H21A	C21	C24	H24A	58.5°	61.7°
C23	C22	H22	H22A	119.1°	120.0°
C22	C23	H23	H23A	119.9°	120.0°
H22	C22	C23	H23	64.5°	61.6°
H22	C22	C23	H23A	55.5°	58.5°
H22A	C22	C23	H23	55.5°	58.3°
H22A	C22	C23	H23A	175.5°	178.4°
H25	C25	H25A	H25B	120.0°	120.0°
H26	C26	H26A	H26B	120.0°	120.0°
H27	C27	H27A	H27B	120.0°	119.9°
H28	C28	H28A	H28B	120.0°	120.1°

Definition date:	2010-11-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3PIX