2IW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.56Å	1.59Å
C1	C3	sing	1.56Å	1.55Å
C1	C4	sing	1.51Å	1.54Å
N1	C4	sing	1.34Å	1.39Å
N1	C5	sing	1.34Å	1.37Å
N1	C23	sing	1.40Å	1.35Å
O1	C4	doub	1.21Å	1.23Å
C2	C7	sing	1.53Å	1.53Å
C2	C8	sing	1.57Å	1.50Å
N2	C15	doub	1.34Å	1.45Å	Aromatic
N2	C16	sing	1.31Å	1.40Å	Aromatic
O2	C5	doub	1.21Å	1.22Å
C3	C5	sing	1.51Å	1.52Å
C3	C6	sing	1.56Å	1.62Å
N3	C10	sing	1.40Å	1.38Å
N3	C11	sing	1.35Å	1.38Å
O3	C11	doub	1.22Å	1.24Å
C6	C8	sing	1.57Å	1.53Å
C6	C9	sing	1.53Å	1.56Å
C7	C9	doub	1.32Å	1.37Å
C10	C15	sing	1.41Å	1.48Å	Aromatic
C10	C19	doub	1.38Å	1.47Å	Aromatic
C11	C26	sing	1.48Å	1.47Å
C12	C13	sing	1.37Å	1.45Å	Aromatic
C12	C16	doub	1.39Å	1.46Å	Aromatic
C13	C14	doub	1.41Å	1.47Å	Aromatic
C13	C20	sing	1.51Å	1.48Å
C14	C15	sing	1.42Å	1.53Å	Aromatic
C14	C17	sing	1.40Å	1.46Å	Aromatic
C17	C18	doub	1.36Å	1.46Å	Aromatic
C18	C19	sing	1.39Å	1.44Å	Aromatic
C21	C22	doub	1.38Å	1.44Å	Aromatic
C21	C26	sing	1.40Å	1.44Å	Aromatic
C22	C23	sing	1.39Å	1.45Å	Aromatic
C23	C24	doub	1.39Å	1.45Å	Aromatic
C24	C25	sing	1.38Å	1.44Å	Aromatic
C25	C26	doub	1.40Å	1.46Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
N3	HN3	sing	0.97Å	1.00Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	94.5°	103.5°
C2	C1	C4	113.2°	108.3°
C1	C2	C7	108.5°	104.2°
C1	C2	C8	107.5°	100.5°
C2	C1	H1	113.6°	113.4°
C1	C2	H2	111.5°	116.2°
C3	C1	C4	104.6°	103.2°
C1	C3	C5	104.4°	103.3°
C1	C3	C6	110.1°	103.5°
C3	C1	H1	114.3°	113.5°
C1	C3	H3	110.6°	113.5°
C1	C4	N1	107.7°	109.5°
C1	C4	O1	122.1°	125.3°
C4	C1	H1	114.5°	114.0°
C4	N1	C5	114.3°	114.5°
C4	N1	C23	122.4°	122.7°
N1	C4	O1	130.3°	125.3°
C5	N1	C23	123.3°	122.7°
N1	C5	O2	129.0°	125.3°
N1	C5	C3	108.8°	109.5°
N1	C23	C22	116.7°	119.9°
N1	C23	C24	119.1°	119.9°
C7	C2	C8	103.6°	99.8°
C2	C7	C9	100.0°	108.5°
C7	C2	H2	112.4°	116.3°
C2	C7	H7	130.0°	125.8°
C2	C8	C6	95.1°	93.4°
C8	C2	H2	112.9°	117.3°
C2	C8	H8	112.9°	112.5°
C2	C8	H8A	112.9°	112.5°
C15	N2	C16	126.2°	121.3°
N2	C15	C10	125.3°	121.1°
N2	C15	C14	115.8°	119.9°
N2	C16	C12	118.6°	121.8°
N2	C16	H16	120.7°	119.2°
O2	C5	C3	122.2°	125.3°
C5	C3	C6	110.9°	108.3°
C5	C3	H3	111.0°	113.4°
C3	C6	C8	97.3°	100.5°
C3	C6	C9	105.1°	104.1°
C6	C3	H3	109.7°	114.0°
C3	C6	H6	118.0°	116.2°
C10	N3	C11	126.8°	120.0°
N3	C10	C15	118.7°	120.2°
N3	C10	C19	120.5°	120.3°
C10	N3	HN3	116.6°	120.0°
N3	C11	O3	123.0°	120.0°
N3	C11	C26	114.6°	120.0°
C11	N3	HN3	116.6°	120.0°
O3	C11	C26	122.3°	120.0°
C8	C6	C9	92.8°	99.8°
C8	C6	H6	119.8°	116.6°
C6	C8	H8	112.9°	112.5°
C6	C8	H8A	112.9°	112.5°
C6	C9	C7	112.1°	108.4°
C9	C6	H6	119.1°	117.0°
C6	C9	H9	123.9°	125.7°
C9	C7	H7	130.0°	125.7°
C7	C9	H9	123.9°	125.9°
C15	C10	C19	120.8°	119.5°
C10	C15	C14	118.9°	119.0°
C10	C19	C18	120.5°	120.8°
C10	C19	H19	119.8°	119.6°
C11	C26	C21	118.3°	120.1°
C11	C26	C25	117.0°	120.1°
C13	C12	C16	119.4°	119.9°
C12	C13	C14	122.2°	118.2°
C12	C13	C20	115.9°	120.9°
C13	C12	H12	120.3°	120.0°
C16	C12	H12	120.3°	120.1°
C12	C16	H16	120.7°	119.1°
C14	C13	C20	121.9°	120.9°
C13	C14	C15	117.7°	118.9°
C13	C14	C17	125.6°	121.3°
C13	C20	H20	109.5°	109.5°
C13	C20	H20A	109.5°	109.5°
C13	C20	H20B	109.5°	109.5°
C15	C14	C17	116.7°	119.8°
C14	C17	C18	123.8°	119.9°
C14	C17	H17	118.1°	120.0°
C17	C18	C19	119.3°	121.0°
C18	C17	H17	118.1°	120.1°
C17	C18	H18	120.4°	119.5°
C19	C18	H18	120.3°	119.5°
C18	C19	H19	119.7°	119.6°
C22	C21	C26	116.6°	120.0°
C21	C22	C23	119.2°	120.1°
C22	C21	H21	121.7°	120.1°
C21	C22	H22	120.4°	120.0°
C21	C26	C25	124.7°	119.8°
C26	C21	H21	121.7°	120.0°
C22	C23	C24	124.2°	120.2°
C23	C22	H22	120.4°	120.0°
C23	C24	C25	117.0°	120.0°
C23	C24	H24	121.5°	120.0°
C24	C25	C26	118.3°	120.0°
C25	C24	H24	121.5°	120.0°
C24	C25	H25	120.8°	120.0°
C26	C25	H25	120.8°	120.0°
H8	C8	H8A	109.5°	112.1°
H20	C20	H20A	109.5°	109.4°
H20	C20	H20B	109.4°	109.5°
H20A	C20	H20B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C4	115.4°	112.8°
C2	C1	C3	H1	118.5°	123.3°
C2	C1	C4	H1	132.4°	127.1°
C2	C1	C4	N1	105.5°	109.2°
C2	C1	C4	O1	74.9°	70.8°
C1	C2	C7	C8	114.1°	103.5°
C1	C2	C7	H2	123.7°	129.3°
C1	C2	C8	H2	123.4°	126.9°
C2	C1	C3	C5	117.9°	112.8°
C2	C1	C3	C6	1.1°	0.0°
C1	C2	C8	C6	59.6°	57.2°
C1	C2	C7	C9	84.8°	70.2°
C2	C1	C3	H3	122.5°	124.1°
C1	C2	C7	H7	95.2°	109.7°
C1	C2	C8	H8	177.2°	173.3°
C1	C2	C8	H8A	57.9°	58.9°
C3	C1	C4	H1	126.0°	123.6°
C3	C1	C4	N1	3.9°	0.1°
C1	C3	C5	N1	0.4°	0.0°
C3	C1	C4	O1	176.5°	180.0°
C3	C1	C2	C7	74.4°	66.6°
C3	C1	C2	C8	37.1°	36.4°
C1	C3	C5	O2	179.8°	180.0°
C1	C3	C5	C6	118.5°	109.3°
C1	C3	C5	H3	119.2°	123.2°
C1	C3	C6	H3	122.0°	123.7°
C1	C3	C6	C8	32.7°	36.3°
C1	C3	C6	C9	62.2°	66.7°
C3	C1	C2	H2	161.3°	164.1°
C1	C3	C6	H6	162.2°	163.1°
C1	C4	N1	O1	179.6°	180.0°
C1	C4	N1	C5	3.9°	0.1°
C1	C4	N1	C23	177.1°	180.0°
C4	C1	C2	C7	33.6°	42.5°
C4	C1	C2	C8	145.1°	145.5°
C4	C1	C3	C5	2.6°	0.0°
C4	C1	C3	C6	116.5°	112.9°
C4	C1	C2	H2	90.6°	86.8°
C4	C1	C3	H3	122.1°	123.1°
C4	N1	C5	C23	179.0°	180.0°
C4	N1	C5	O2	177.5°	180.0°
C4	N1	C5	C3	2.2°	0.0°
C4	N1	C23	C22	89.1°	55.8°
C4	N1	C23	C24	90.9°	124.2°
N1	C4	C1	H1	122.1°	123.6°
C5	N1	C4	O1	176.5°	180.0°
N1	C5	O2	C3	179.7°	180.0°
N1	C5	C3	C6	118.0°	109.3°
C5	N1	C23	C22	89.8°	124.2°
C5	N1	C23	C24	90.2°	55.7°
N1	C5	C3	H3	119.7°	123.2°
C23	N1	C4	O1	2.5°	0.0°
C23	N1	C5	O2	1.5°	0.0°
C23	N1	C5	C3	178.8°	180.0°
N1	C23	C22	C21	179.8°	179.9°
N1	C23	C22	C24	180.0°	180.0°
N1	C23	C24	C25	179.8°	179.9°
N1	C23	C22	H22	0.3°	0.0°
N1	C23	C24	H24	0.2°	0.0°
O1	C4	C1	H1	57.6°	56.4°
C7	C2	C8	H2	121.8°	126.5°
C7	C2	C8	C6	55.2°	49.4°
C2	C7	C9	C6	8.4°	0.0°
C2	C7	C9	H7	180.0°	180.0°
C7	C2	C1	H1	166.5°	170.0°
C7	C2	C8	H8	62.4°	66.7°
C7	C2	C8	H8A	172.7°	165.4°
C2	C7	C9	H9	171.5°	180.0°
C2	C8	C6	C3	51.7°	57.1°
C2	C8	C6	H8	117.6°	116.1°
C2	C8	C6	H8A	117.6°	116.1°
C2	C8	C6	C9	53.9°	49.3°
C8	C2	C7	C9	29.3°	33.3°
C8	C2	C1	H1	82.0°	87.0°
C2	C8	C6	H6	180.0°	176.3°
C8	C2	C7	H7	150.7°	146.7°
C2	C8	H8	H8A	126.8°	128.1°
N2	C15	C10	N3	0.9°	0.0°
N2	C15	C10	C14	179.6°	180.0°
N2	C15	C10	C19	179.0°	180.0°
C15	N2	C16	C12	1.1°	0.0°
N2	C15	C14	C13	1.1°	0.0°
N2	C15	C14	C17	179.0°	180.0°
C15	N2	C16	H16	178.9°	180.0°
C16	N2	C15	C10	179.1°	179.9°
N2	C16	C12	C13	0.7°	0.0°
N2	C16	C12	H16	180.0°	180.0°
C16	N2	C15	C14	1.3°	0.0°
N2	C16	C12	H12	179.3°	180.0°
O2	C5	C3	C6	61.7°	70.7°
O2	C5	C3	H3	60.6°	56.8°
C5	C3	C6	H3	123.0°	127.1°
C5	C3	C6	C8	147.7°	145.5°
C5	C3	C6	C9	52.8°	42.4°
C5	C3	C1	H1	123.5°	123.9°
C5	C3	C6	H6	82.8°	87.7°
C3	C6	C8	C9	105.6°	106.5°
C3	C6	C8	H6	128.3°	126.5°
C3	C6	C9	H6	135.0°	129.7°
C3	C6	C9	C7	57.0°	70.3°
C6	C3	C1	H1	117.4°	123.3°
C3	C6	C8	H8	169.2°	173.2°
C3	C6	C8	H8A	65.9°	59.0°
C3	C6	C9	H9	123.0°	109.8°
C10	N3	C11	HN3	180.0°	180.0°
C10	N3	C11	O3	3.2°	5.8°
N3	C10	C15	C19	179.9°	180.0°
C10	N3	C11	C26	176.4°	174.2°
N3	C10	C15	C14	178.7°	180.0°
N3	C10	C19	C18	179.0°	180.0°
N3	C10	C19	H19	1.0°	0.1°
N3	C11	O3	C26	179.5°	180.0°
C11	N3	C10	C15	166.4°	146.0°
C11	N3	C10	C19	13.6°	34.0°
N3	C11	C26	C21	55.0°	180.0°
N3	C11	C26	C25	124.1°	0.1°
O3	C11	C26	C21	125.4°	0.0°
O3	C11	C26	C25	55.4°	180.0°
O3	C11	N3	HN3	176.8°	174.3°
C8	C6	C9	H6	126.7°	126.7°
C8	C6	C9	C7	41.3°	33.3°
C6	C8	C2	H2	177.0°	175.9°
C8	C6	C3	H3	89.3°	87.4°
C6	C8	H8	H8A	126.7°	128.0°
C8	C6	C9	H9	138.6°	146.7°
C6	C9	C7	H9	180.0°	179.9°
C9	C6	C3	H3	175.8°	169.6°
C6	C9	C7	H7	171.5°	180.0°
C9	C6	C8	H8	63.6°	66.7°
C9	C6	C8	H8A	171.5°	165.5°
C9	C7	C2	H2	151.5°	160.5°
C7	C9	C6	H6	168.0°	160.0°
C10	C15	C14	C13	179.2°	180.0°
C10	C15	C14	C17	1.3°	0.0°
C15	C10	C19	C18	1.0°	0.0°
C15	C10	N3	HN3	13.6°	34.0°
C15	C10	C19	H19	179.0°	179.9°
C19	C10	C15	C14	1.4°	0.0°
C10	C19	C18	C17	0.6°	0.0°
C10	C19	C18	H19	180.0°	179.9°
C19	C10	N3	HN3	166.3°	146.0°
C10	C19	C18	H18	179.4°	180.0°
C11	C26	C21	C22	178.7°	180.0°
C11	C26	C21	C25	179.1°	179.9°
C11	C26	C25	C24	178.7°	180.0°
C26	C11	N3	HN3	3.6°	5.7°
C11	C26	C21	H21	1.3°	0.3°
C11	C26	C25	H25	1.2°	0.0°
C13	C12	C16	H12	180.0°	180.0°
C12	C13	C14	C20	178.3°	180.0°
C12	C13	C14	C15	0.9°	0.0°
C12	C13	C14	C17	178.6°	179.9°
C13	C12	C16	H16	179.3°	180.0°
C12	C13	C20	H20	89.3°	90.0°
C12	C13	C20	H20A	150.7°	150.0°
C12	C13	C20	H20B	30.7°	30.0°
C16	C12	C13	C14	0.7°	0.0°
C16	C12	C13	C20	179.1°	180.0°
C13	C14	C15	C17	177.9°	179.9°
C13	C14	C17	C18	178.7°	180.0°
C14	C13	C12	H12	179.3°	180.0°
C13	C14	C17	H17	1.3°	0.1°
C14	C13	C20	H20	89.1°	90.0°
C14	C13	C20	H20A	30.9°	29.9°
C14	C13	C20	H20B	150.9°	149.9°
C20	C13	C14	C15	179.2°	180.0°
C20	C13	C14	C17	3.1°	0.0°
C20	C13	C12	H12	0.9°	0.0°
C13	C20	H20	H20A	120.0°	120.0°
C13	C20	H20	H20B	120.0°	120.0°
C13	C20	H20A	H20B	120.0°	120.0°
C15	C14	C17	C18	0.9°	0.0°
C15	C14	C17	H17	179.0°	180.0°
C14	C17	C18	H17	180.0°	180.0°
C14	C17	C18	C19	0.6°	0.0°
C14	C17	C18	H18	179.4°	180.0°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	H19	179.4°	179.9°
C19	C18	C17	H17	179.4°	180.0°
C22	C21	C26	H21	180.0°	179.7°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	0.3°	0.0°
C22	C21	C26	C25	0.4°	0.0°
C26	C21	C22	C23	0.3°	0.0°
C21	C26	C25	C24	0.3°	0.0°
C26	C21	C22	H22	179.7°	180.0°
C21	C26	C25	H25	179.7°	180.0°
C22	C23	C24	C25	0.2°	0.1°
C23	C22	C21	H21	179.7°	179.8°
C22	C23	C24	H24	179.8°	180.0°
C23	C24	C25	H24	180.0°	180.0°
C23	C24	C25	C26	0.2°	0.1°
C24	C23	C22	H22	179.7°	180.0°
C23	C24	C25	H25	179.8°	180.0°
C24	C25	C26	H25	180.0°	180.0°
C25	C26	C21	H21	179.6°	179.8°
C26	C25	C24	H24	179.8°	180.0°
H1	C1	C2	H2	42.2°	40.7°
H1	C1	C3	H3	4.0°	0.8°
H2	C2	C7	H7	28.5°	19.5°
H2	C2	C8	H8	59.4°	59.8°
H2	C2	C8	H8A	65.5°	68.0°
H3	C3	C6	H6	40.2°	39.4°
H6	C6	C8	H8	62.5°	60.2°
H6	C6	C8	H8A	62.4°	67.6°
H6	C6	C9	H9	12.0°	20.0°
H7	C7	C9	H9	8.5°	0.1°
H12	C12	C16	H16	0.7°	0.0°
H17	C17	C18	H18	0.6°	0.0°
H18	C18	C19	H19	0.6°	0.1°
H20	C20	H20A	H20B	120.0°	120.0°
H21	C21	C22	H22	0.3°	0.3°
H24	C24	C25	H25	0.2°	0.0°

Definition date:	2012-03-06
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	4DVI