NXW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	trip	1.17Å	1.20Å
C1	C13	sing	1.43Å	1.44Å
C14	C2	sing	1.43Å	1.43Å
C4	C3	doub	1.38Å	1.41Å	Aromatic
C8	C3	sing	1.38Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C13	C4	sing	1.40Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C6	C5	doub	1.36Å	1.40Å	Aromatic
C5	C14	sing	1.40Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C15	sing	1.40Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C16	C7	doub	1.38Å	1.40Å	Aromatic
C7	C9	sing	1.38Å	1.41Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C17	C8	doub	1.39Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C19	doub	1.38Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	C13	doub	1.40Å	1.41Å	Aromatic
C10	C17	sing	1.39Å	1.42Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C18	C11	sing	1.39Å	1.41Å	Aromatic
C14	C11	doub	1.40Å	1.41Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C16	C12	sing	1.38Å	1.38Å	Aromatic
C12	C20	doub	1.38Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C21	C15	sing	1.47Å	1.45Å
C15	C18	doub	1.41Å	1.41Å	Aromatic
C24	C16	sing	1.51Å	1.50Å
N28	C17	sing	1.40Å	1.41Å
C18	S34	sing	1.76Å	1.81Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C19	CL35	sing	1.74Å	1.73Å
C20	CL36	sing	1.74Å	1.72Å
O31	C21	doub	1.22Å	1.22Å
O33	C21	sing	1.35Å	1.36Å
O32	C22	doub	1.21Å	1.24Å
C25	C22	sing	1.51Å	1.53Å
C22	N28	sing	1.35Å	1.42Å
N29	C23	sing	1.47Å	1.46Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C23	H23B	sing	1.09Å	1.10Å
S34	C24	sing	1.81Å	1.78Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
N30	C25	sing	1.47Å	1.45Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
N29	C26	sing	1.47Å	1.44Å
C26	C27	sing	1.53Å	1.52Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C27	N30	sing	1.47Å	1.46Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
N28	HN28	sing	0.97Å	1.00Å
N29	HN29	sing	1.01Å	1.00Å
N30	HN30	sing	1.01Å	1.00Å
O33	HO33	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C13	178.9°	179.9°
C1	C2	C14	177.5°	179.9°
C1	C13	C4	120.8°	120.1°
C1	C13	C10	120.1°	120.2°
C2	C14	C5	119.1°	119.9°
C2	C14	C11	120.5°	120.0°
C4	C3	C8	120.5°	120.2°
C4	C3	H3	119.8°	119.9°
C3	C4	C13	120.3°	120.0°
C3	C4	H4	119.8°	120.0°
C8	C3	H3	119.7°	119.9°
C3	C8	C17	119.6°	120.3°
C3	C8	H8	120.2°	119.9°
C13	C4	H4	119.9°	120.0°
C4	C13	C10	119.2°	119.7°
C6	C5	C14	120.3°	120.3°
C6	C5	H5	119.8°	119.9°
C5	C6	C15	119.3°	120.3°
C5	C6	H6	120.4°	119.9°
C14	C5	H5	119.8°	119.8°
C5	C14	C11	120.3°	120.1°
C15	C6	H6	120.4°	119.9°
C6	C15	C21	117.2°	120.1°
C6	C15	C18	121.1°	119.8°
C16	C7	C9	120.0°	120.0°
C16	C7	H7	120.0°	120.1°
C7	C16	C12	120.8°	120.1°
C7	C16	C24	120.6°	119.9°
C9	C7	H7	120.0°	119.9°
C7	C9	C19	119.3°	120.0°
C7	C9	H9	120.3°	120.0°
C17	C8	H8	120.2°	119.8°
C8	C17	C10	119.7°	120.0°
C8	C17	N28	119.4°	120.0°
C19	C9	H9	120.3°	120.0°
C9	C19	C20	119.6°	120.0°
C9	C19	CL35	120.5°	120.0°
C13	C10	C17	120.7°	119.8°
C13	C10	H10	119.6°	120.1°
C17	C10	H10	119.7°	120.1°
C10	C17	N28	120.9°	120.0°
C18	C11	C14	119.8°	119.8°
C18	C11	H11	120.1°	120.1°
C11	C18	C15	119.2°	119.7°
C11	C18	S34	119.6°	120.2°
C14	C11	H11	120.1°	120.1°
C16	C12	C20	119.1°	120.0°
C16	C12	H12	120.5°	120.0°
C12	C16	C24	118.7°	120.0°
C20	C12	H12	120.5°	120.0°
C12	C20	C19	121.2°	120.0°
C12	C20	CL36	118.8°	120.0°
C21	C15	C18	121.7°	120.1°
C15	C21	O31	123.8°	120.0°
C15	C21	O33	113.6°	120.0°
C15	C18	S34	121.3°	120.1°
C16	C24	S34	108.9°	109.4°
C16	C24	H24	109.7°	109.4°
C16	C24	H24A	109.7°	109.5°
C17	N28	C22	128.6°	120.1°
C17	N28	HN28	115.7°	120.0°
C18	S34	C24	102.0°	103.0°
C20	C19	CL35	119.9°	120.0°
C19	C20	CL36	120.0°	120.0°
O31	C21	O33	122.6°	120.0°
C21	O33	HO33	109.5°	117.0°
O32	C22	C25	121.7°	120.0°
O32	C22	N28	127.0°	120.0°
C25	C22	N28	111.3°	120.0°
C22	C25	N30	110.4°	109.5°
C22	C25	H25	109.2°	109.4°
C22	C25	H25A	109.2°	109.4°
C22	N28	HN28	115.7°	120.0°
N29	C23	H23	109.5°	109.5°
N29	C23	H23A	109.5°	109.4°
N29	C23	H23B	109.5°	109.5°
C23	N29	C26	111.7°	111.1°
C23	N29	HN29	108.8°	111.0°
H23	C23	H23A	109.4°	109.4°
H23	C23	H23B	109.5°	109.5°
H23A	C23	H23B	109.5°	109.5°
S34	C24	H24	109.7°	109.5°
S34	C24	H24A	109.6°	109.5°
H24	C24	H24A	109.3°	109.5°
N30	C25	H25	109.2°	109.5°
N30	C25	H25A	109.1°	109.5°
C25	N30	C27	111.6°	111.0°
C25	N30	HN30	108.8°	111.0°
H25	C25	H25A	109.8°	109.5°
N29	C26	C27	111.9°	109.5°
N29	C26	H26	108.7°	109.5°
N29	C26	H26A	108.7°	109.4°
C26	N29	HN29	108.7°	111.0°
C27	C26	H26	108.7°	109.5°
C27	C26	H26A	108.7°	109.4°
C26	C27	N30	112.2°	109.5°
C26	C27	H27	108.6°	109.4°
C26	C27	H27A	108.5°	109.5°
H26	C26	H26A	110.3°	109.4°
N30	C27	H27	108.6°	109.5°
N30	C27	H27A	108.6°	109.5°
C27	N30	HN30	108.8°	111.0°
H27	C27	H27A	110.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C13	C4	152.1°	79.4°
C1	C2	C14	C5	84.4°	125.0°
C2	C1	C13	C10	28.1°	100.7°
C1	C2	C14	C11	94.0°	55.0°
C13	C1	C2	C14	32.0°	155.6°
C1	C13	C4	C3	179.8°	180.0°
C1	C13	C4	C10	179.8°	180.0°
C1	C13	C4	H4	0.2°	0.0°
C1	C13	C10	C17	179.8°	179.7°
C1	C13	C10	H10	0.2°	0.0°
C2	C14	C5	C6	179.6°	179.8°
C2	C14	C5	C11	178.4°	180.0°
C2	C14	C5	H5	0.3°	0.0°
C2	C14	C11	C18	180.0°	179.5°
C2	C14	C11	H11	0.1°	0.1°
C4	C3	C8	H3	180.0°	179.8°
C3	C4	C13	H4	180.0°	180.0°
C4	C3	C8	C17	0.3°	0.2°
C4	C3	C8	H8	179.8°	179.7°
C3	C4	C13	C10	0.1°	0.0°
C8	C3	C4	C13	0.1°	0.2°
C8	C3	C4	H4	179.9°	179.8°
C3	C8	C17	H8	180.0°	179.9°
C3	C8	C17	C10	0.3°	0.1°
C3	C8	C17	N28	179.9°	179.8°
H3	C3	C4	C13	179.9°	180.0°
H3	C3	C4	H4	0.1°	0.0°
H3	C3	C8	C17	179.8°	180.0°
H3	C3	C8	H8	0.2°	0.1°
C4	C13	C10	C17	0.0°	0.3°
C4	C13	C10	H10	180.0°	180.0°
H4	C4	C13	C10	179.9°	180.0°
C6	C5	C14	H5	180.0°	179.8°
C5	C6	C15	H6	180.0°	179.9°
C6	C5	C14	C11	1.2°	0.2°
C5	C6	C15	C21	179.7°	180.0°
C5	C6	C15	C18	0.5°	0.0°
C14	C5	C6	C15	0.2°	0.1°
C14	C5	C6	H6	179.8°	180.0°
C5	C14	C11	C18	1.6°	0.6°
C5	C14	C11	H11	178.5°	179.9°
H5	C5	C6	C15	179.8°	179.7°
H5	C5	C6	H6	0.2°	0.2°
H5	C5	C14	C11	178.8°	180.0°
C6	C15	C18	C11	0.1°	0.3°
C6	C15	C21	C18	179.2°	180.0°
C6	C15	C18	S34	179.3°	180.0°
C6	C15	C21	O31	117.4°	180.0°
C6	C15	C21	O33	61.9°	0.1°
H6	C6	C15	C21	0.4°	0.1°
H6	C6	C15	C18	179.5°	180.0°
C16	C7	C9	H7	180.0°	179.7°
C16	C7	C9	C19	0.5°	0.2°
C16	C7	C9	H9	179.5°	179.8°
C7	C16	C12	C24	179.8°	180.0°
C7	C16	C12	C20	0.4°	0.5°
C7	C16	C12	H12	179.7°	179.8°
C7	C16	C24	S34	106.3°	90.0°
C7	C16	C24	H24	13.8°	150.0°
C7	C16	C24	H24A	133.7°	30.0°
C7	C9	C19	H9	180.0°	179.9°
C9	C7	C16	C12	0.4°	0.0°
C9	C7	C16	C24	179.8°	180.0°
C7	C9	C19	C20	0.4°	0.0°
C7	C9	C19	CL35	179.3°	180.0°
H7	C7	C9	C19	179.6°	180.0°
H7	C7	C9	H9	0.5°	0.1°
H7	C7	C16	C12	179.6°	179.7°
H7	C7	C16	C24	0.2°	0.2°
C8	C17	C10	C13	0.2°	0.3°
C8	C17	C10	N28	179.8°	179.7°
C8	C17	C10	H10	179.8°	180.0°
C8	C17	N28	C22	179.7°	144.6°
C8	C17	N28	HN28	0.3°	35.4°
H8	C8	C17	C10	179.7°	180.0°
H8	C8	C17	N28	0.1°	0.3°
C9	C19	C20	C12	0.4°	0.5°
C9	C19	C20	CL35	179.8°	180.0°
C9	C19	C20	CL36	179.4°	179.7°
H9	C9	C19	C20	179.5°	180.0°
H9	C9	C19	CL35	0.7°	0.0°
C13	C10	C17	H10	180.0°	179.7°
C13	C10	C17	N28	179.9°	180.0°
C10	C17	N28	C22	0.1°	35.0°
C10	C17	N28	HN28	179.9°	144.9°
H10	C10	C17	N28	0.1°	0.3°
C18	C11	C14	H11	180.0°	179.4°
C11	C18	C15	C21	179.2°	179.6°
C11	C18	C15	S34	179.4°	179.7°
C11	C18	S34	C24	40.7°	0.3°
C14	C11	C18	C15	0.9°	0.6°
C14	C11	C18	S34	179.7°	179.7°
H11	C11	C18	C15	179.1°	180.0°
H11	C11	C18	S34	0.3°	0.4°
C16	C12	C20	H12	180.0°	179.3°
C16	C12	C20	C19	0.3°	0.7°
C16	C12	C20	CL36	179.4°	180.0°
C12	C16	C24	S34	73.9°	90.0°
C12	C16	C24	H24	166.1°	30.0°
C12	C16	C24	H24A	46.1°	150.0°
C20	C12	C16	C24	179.8°	179.5°
C12	C20	C19	CL36	179.0°	179.3°
C12	C20	C19	CL35	179.4°	179.5°
H12	C12	C16	C24	0.2°	0.3°
H12	C12	C20	C19	179.7°	180.0°
H12	C12	C20	CL36	0.6°	0.7°
C21	C15	C18	S34	0.2°	0.0°
C15	C21	O31	O33	179.3°	179.9°
C15	C21	O33	HO33	179.4°	180.0°
C18	C15	C21	O31	61.8°	0.0°
C18	C15	C21	O33	118.9°	180.0°
C15	C18	S34	C24	139.9°	180.0°
C16	C24	S34	C18	171.3°	180.0°
C16	C24	S34	H24	120.0°	120.0°
C16	C24	S34	H24A	120.0°	120.0°
C16	C24	H24	H24A	120.2°	120.0°
C17	N28	C22	O32	0.0°	4.6°
C17	N28	C22	C25	179.7°	175.4°
C17	N28	C22	HN28	180.0°	180.0°
C18	S34	C24	H24	51.2°	60.0°
C18	S34	C24	H24A	68.7°	60.0°
CL35	C19	C20	CL36	0.4°	0.3°
O31	C21	O33	HO33	0.0°	0.1°
O32	C22	C25	N28	179.7°	180.0°
O32	C22	C25	N30	29.9°	0.0°
O32	C22	C25	H25	149.9°	120.0°
O32	C22	C25	H25A	90.0°	120.0°
O32	C22	N28	HN28	180.0°	175.4°
C22	C25	N30	H25	120.0°	119.9°
C22	C25	N30	H25A	120.0°	120.0°
C22	C25	H25	H25A	119.7°	120.0°
C22	C25	N30	C27	125.9°	180.0°
C25	C22	N28	HN28	0.3°	4.6°
C22	C25	N30	HN30	5.9°	56.1°
N28	C22	C25	N30	149.7°	180.0°
N28	C22	C25	H25	29.7°	60.0°
N28	C22	C25	H25A	90.3°	60.0°
N29	C23	H23	H23A	120.0°	119.9°
N29	C23	H23	H23B	120.0°	120.0°
N29	C23	H23A	H23B	120.0°	120.0°
C23	N29	C26	HN29	120.0°	123.9°
C23	N29	C26	C27	127.9°	180.0°
C23	N29	C26	H26	7.9°	59.9°
C23	N29	C26	H26A	112.1°	60.0°
H23	C23	H23A	H23B	120.0°	120.0°
H23	C23	N29	C26	180.0°	59.9°
H23	C23	N29	HN29	60.0°	64.0°
H23A	C23	N29	C26	60.0°	60.0°
H23A	C23	N29	HN29	59.9°	176.1°
H23B	C23	N29	C26	60.0°	179.9°
H23B	C23	N29	HN29	180.0°	56.0°
S34	C24	H24	H24A	120.2°	120.0°
N30	C25	H25	H25A	119.6°	120.1°
C25	N30	C27	C26	144.6°	180.0°
C25	N30	C27	HN30	120.0°	123.9°
C25	N30	C27	H27	95.4°	60.0°
C25	N30	C27	H27A	24.6°	60.0°
H25	C25	N30	C27	114.1°	60.1°
H25	C25	N30	HN30	125.9°	176.0°
H25A	C25	N30	C27	5.9°	60.0°
H25A	C25	N30	HN30	114.1°	63.9°
N29	C26	C27	H26	120.0°	120.1°
N29	C26	C27	H26A	120.0°	119.9°
N29	C26	H26	H26A	119.0°	119.9°
N29	C26	C27	N30	140.8°	180.0°
N29	C26	C27	H27	99.2°	60.1°
N29	C26	C27	H27A	20.8°	60.0°
C27	C26	H26	H26A	119.0°	120.0°
C26	C27	N30	H27	120.0°	119.9°
C26	C27	N30	H27A	120.0°	120.0°
C26	C27	H27	H27A	118.9°	120.0°
C27	C26	N29	HN29	112.1°	56.1°
C26	C27	N30	HN30	95.4°	56.0°
H26	C26	C27	N30	20.8°	59.9°
H26	C26	C27	H27	140.8°	60.0°
H26	C26	C27	H27A	99.2°	180.0°
H26	C26	N29	HN29	127.9°	64.0°
H26A	C26	C27	N30	99.2°	60.0°
H26A	C26	C27	H27	20.8°	180.0°
H26A	C26	C27	H27A	140.8°	60.0°
H26A	C26	N29	HN29	7.9°	176.0°
N30	C27	H27	H27A	118.9°	120.0°
H27	C27	N30	HN30	24.6°	63.9°
H27A	C27	N30	HN30	144.6°	176.1°

Definition date:	2011-01-19
Last modified:	2011-12-23
Release status:	REL
Processing site:	RCSB
Derived from:	3QCM