GWI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.51Å	Aromatic
C1	C6	sing	1.39Å	1.38Å	Aromatic
C1	O2	sing	1.36Å	1.37Å
C2	C3	sing	1.40Å	1.37Å	Aromatic
C2	C7	sing	1.47Å	1.50Å
C3	C4	doub	1.38Å	1.47Å	Aromatic
C6	C5	doub	1.38Å	1.49Å	Aromatic
C4	C5	sing	1.39Å	1.35Å	Aromatic
C4	CL	sing	1.74Å	1.72Å
C7	O1	doub	1.22Å	1.23Å
C7	C8	sing	1.48Å	1.53Å
C8	C9	doub	1.40Å	1.42Å	Aromatic
C8	C13	sing	1.39Å	1.43Å	Aromatic
C9	C10	sing	1.38Å	1.41Å	Aromatic
C10	C11	doub	1.38Å	1.42Å	Aromatic
C10	CL1	sing	1.74Å	1.75Å
C11	C12	sing	1.40Å	1.43Å	Aromatic
C12	C13	doub	1.39Å	1.43Å	Aromatic
C12	C26	sing	1.43Å	1.44Å
O2	C15	sing	1.43Å	1.45Å
C15	C16	sing	1.51Å	1.52Å
C16	O3	doub	1.21Å	1.23Å
C16	N1	sing	1.35Å	1.37Å
N1	C17	sing	1.40Å	1.37Å
C17	C18	doub	1.39Å	1.53Å	Aromatic
C17	C22	sing	1.39Å	1.37Å	Aromatic
C18	C23	sing	1.51Å	1.52Å
C18	C19	sing	1.38Å	1.36Å	Aromatic
C19	C20	doub	1.38Å	1.50Å	Aromatic
C20	C21	sing	1.38Å	1.35Å	Aromatic
C20	S	sing	1.76Å	1.78Å
C21	C22	doub	1.38Å	1.48Å	Aromatic
N3	C14	sing	1.35Å	1.36Å
N3	S	sing	1.66Å	1.64Å
C14	C24	sing	1.51Å	1.52Å
C14	O6	doub	1.21Å	1.22Å
C24	C25	sing	1.53Å	1.56Å
S	O4	doub	1.42Å	1.47Å
S	O5	doub	1.42Å	1.45Å
C26	N2	trip	1.14Å	1.15Å
C3	H3	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C23	H23B	sing	1.09Å	1.10Å
C19	H19	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
N3	HN3	sing	0.97Å	1.00Å
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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.5°	119.7°
C2	C1	O2	117.0°	120.1°
C1	C2	C3	119.3°	119.6°
C1	C2	C7	119.3°	120.2°
C6	C1	O2	124.5°	120.2°
C1	C6	C5	120.9°	120.1°
C1	C6	H6	119.5°	119.9°
C1	O2	C15	123.2°	117.0°
C3	C2	C7	121.4°	120.2°
C2	C3	C4	121.4°	119.9°
C2	C3	H3	119.3°	120.1°
C2	C7	O1	118.7°	120.0°
C2	C7	C8	122.9°	120.0°
C3	C4	C5	120.1°	120.3°
C3	C4	CL	119.0°	119.8°
C4	C3	H3	119.3°	120.1°
C6	C5	C4	119.7°	120.4°
C5	C6	H6	119.5°	120.0°
C6	C5	H5	120.1°	119.8°
C5	C4	CL	120.9°	119.9°
C4	C5	H5	120.2°	119.8°
O1	C7	C8	118.3°	120.0°
C7	C8	C9	118.3°	120.0°
C7	C8	C13	122.7°	120.1°
C9	C8	C13	119.0°	119.9°
C8	C9	C10	121.5°	120.1°
C8	C9	H9	119.3°	120.0°
C8	C13	C12	119.8°	119.7°
C8	C13	H13	120.1°	120.1°
C9	C10	C11	119.8°	120.3°
C9	C10	CL1	119.3°	119.9°
C10	C9	H9	119.2°	119.9°
C11	C10	CL1	120.9°	119.8°
C10	C11	C12	119.7°	120.1°
C10	C11	H11	120.2°	120.0°
C11	C12	C13	120.3°	119.9°
C11	C12	C26	119.3°	120.1°
C12	C11	H11	120.1°	119.9°
C13	C12	C26	120.4°	120.1°
C12	C13	H13	120.1°	120.2°
C12	C26	N2	178.9°	180.0°
O2	C15	C16	104.4°	109.5°
O2	C15	H15	111.2°	109.5°
O2	C15	H15A	112.3°	109.5°
C15	C16	O3	115.2°	120.0°
C15	C16	N1	119.4°	120.0°
C16	C15	H15	111.2°	109.4°
C16	C15	H15A	112.3°	109.5°
O3	C16	N1	125.5°	120.0°
C16	N1	C17	131.3°	120.0°
C16	N1	HN1	114.3°	120.1°
N1	C17	C18	119.8°	120.1°
N1	C17	C22	123.0°	120.1°
C17	N1	HN1	114.4°	120.0°
C18	C17	C22	117.2°	119.9°
C17	C18	C23	121.9°	120.0°
C17	C18	C19	119.2°	119.9°
C17	C22	C21	123.0°	119.9°
C17	C22	H22	118.5°	120.1°
C23	C18	C19	118.9°	120.1°
C18	C23	H23	109.5°	109.4°
C18	C23	H23A	109.4°	109.5°
C18	C23	H23B	109.4°	109.5°
C18	C19	C20	121.9°	120.1°
C18	C19	H19	119.1°	119.9°
C19	C20	C21	119.1°	120.1°
C19	C20	S	120.2°	119.9°
C20	C19	H19	119.1°	120.0°
C21	C20	S	120.7°	119.9°
C20	C21	C22	119.7°	120.1°
C20	C21	H21	120.2°	119.9°
C20	S	N3	102.8°	107.2°
C20	S	O4	108.2°	106.4°
C20	S	O5	111.7°	106.4°
C22	C21	H21	120.1°	120.0°
C21	C22	H22	118.5°	120.0°
C14	N3	S	124.5°	120.0°
N3	C14	C24	118.5°	120.0°
N3	C14	O6	122.7°	120.0°
C14	N3	HN3	117.7°	120.0°
N3	S	O4	109.9°	106.4°
N3	S	O5	112.2°	106.4°
S	N3	HN3	117.8°	120.0°
C24	C14	O6	118.8°	120.0°
C14	C24	C25	112.4°	109.5°
C14	C24	H24	108.5°	109.5°
C14	C24	H24A	107.9°	109.5°
C25	C24	H24	108.5°	109.5°
C25	C24	H24A	107.8°	109.4°
C24	C25	H25	109.5°	109.5°
C24	C25	H25A	109.5°	109.4°
C24	C25	H25B	109.5°	109.5°
O4	S	O5	111.7°	123.2°
H15	C15	H15A	105.6°	109.5°
H23	C23	H23A	109.5°	109.5°
H23	C23	H23B	109.5°	109.5°
H23A	C23	H23B	109.5°	109.5°
H24	C24	H24A	111.8°	109.4°
H25	C25	H25A	109.4°	109.4°
H25	C25	H25B	109.4°	109.5°
H25A	C25	H25B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	O2	179.5°	179.8°
C1	C2	C3	C7	179.7°	179.9°
C1	C2	C3	C4	0.3°	0.0°
C2	C1	C6	C5	0.0°	0.1°
C1	C2	C7	O1	40.4°	104.3°
C1	C2	C7	C8	139.8°	75.7°
C2	C1	O2	C15	164.6°	180.0°
C1	C2	C3	H3	179.7°	180.0°
C2	C1	C6	H6	180.0°	180.0°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	C7	179.8°	180.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	C4	0.0°	0.0°
C6	C1	O2	C15	15.9°	0.3°
C1	C6	C5	H5	180.0°	179.9°
O2	C1	C2	C3	179.6°	179.7°
O2	C1	C2	C7	0.7°	0.2°
O2	C1	C6	C5	179.5°	179.7°
C1	O2	C15	C16	88.5°	180.0°
O2	C1	C6	H6	0.6°	0.3°
C1	O2	C15	H15	151.4°	60.0°
C1	O2	C15	H15A	33.3°	60.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	C4	CL	179.5°	180.0°
C3	C2	C7	O1	139.3°	75.6°
C3	C2	C7	C8	40.5°	104.3°
C7	C2	C3	C4	179.9°	180.0°
C2	C7	O1	C8	179.8°	179.9°
C2	C7	C8	C9	41.9°	175.1°
C2	C7	C8	C13	137.6°	4.7°
C7	C2	C3	H3	0.0°	0.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	CL	179.7°	180.0°
C3	C4	C5	H5	179.9°	180.0°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	CL	179.6°	180.0°
C5	C4	C3	H3	179.7°	180.0°
C4	C5	C6	H6	180.0°	180.0°
CL	C4	C3	H3	0.5°	0.0°
CL	C4	C5	H5	0.4°	0.0°
O1	C7	C8	C9	138.2°	4.8°
O1	C7	C8	C13	42.2°	175.4°
C7	C8	C9	C13	179.6°	179.8°
C7	C8	C9	C10	179.4°	180.0°
C7	C8	C13	C12	179.4°	179.8°
C7	C8	C9	H9	0.6°	0.0°
C7	C8	C13	H13	0.6°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C11	0.3°	0.0°
C8	C9	C10	CL1	179.7°	180.0°
C9	C8	C13	C12	0.1°	0.5°
C9	C8	C13	H13	179.9°	179.7°
C13	C8	C9	C10	0.1°	0.2°
C8	C13	C12	C11	0.2°	0.4°
C8	C13	C12	H13	180.0°	179.8°
C8	C13	C12	C26	179.7°	179.8°
C13	C8	C9	H9	179.9°	179.8°
C9	C10	C11	CL1	180.0°	179.9°
C9	C10	C11	C12	0.3°	0.1°
C9	C10	C11	H11	179.7°	180.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.3°	0.2°
C10	C11	C12	C26	179.6°	180.0°
C11	C10	C9	H9	179.8°	180.0°
CL1	C10	C11	C12	179.7°	180.0°
CL1	C10	C9	H9	0.2°	0.1°
CL1	C10	C11	H11	0.3°	0.1°
C11	C12	C13	C26	179.9°	179.8°
C11	C12	C26	N2	33.8°	59.7°
C11	C12	C13	H13	179.9°	179.7°
C13	C12	C26	N2	146.1°	120.5°
C13	C12	C11	H11	179.7°	179.8°
C26	C12	C11	H11	0.4°	0.0°
C26	C12	C13	H13	0.3°	0.1°
O2	C15	C16	H15	120.0°	120.0°
O2	C15	C16	H15A	121.9°	120.0°
O2	C15	C16	O3	153.0°	0.1°
O2	C15	C16	N1	26.6°	180.0°
O2	C15	H15	H15A	122.1°	120.0°
C15	C16	O3	N1	179.5°	179.9°
C15	C16	N1	C17	164.0°	175.2°
C16	C15	H15	H15A	122.0°	120.0°
C15	C16	N1	HN1	15.9°	4.8°
O3	C16	N1	C17	15.5°	4.9°
O3	C16	C15	H15	87.0°	120.1°
O3	C16	C15	H15A	31.1°	119.9°
O3	C16	N1	HN1	164.5°	175.1°
C16	N1	C17	HN1	180.0°	180.0°
C16	N1	C17	C18	153.9°	146.1°
C16	N1	C17	C22	27.1°	34.2°
N1	C16	C15	H15	93.5°	60.0°
N1	C16	C15	H15A	148.5°	60.0°
N1	C17	C18	C22	179.1°	179.7°
N1	C17	C18	C23	1.1°	0.0°
N1	C17	C18	C19	179.0°	180.0°
N1	C17	C22	C21	179.1°	179.7°
N1	C17	C22	H22	0.9°	0.0°
C17	C18	C23	C19	179.8°	180.0°
C17	C18	C19	C20	0.0°	0.0°
C18	C17	C22	C21	0.0°	0.6°
C18	C17	N1	HN1	26.1°	33.9°
C17	C18	C23	H23	128.7°	90.0°
C17	C18	C23	H23A	8.7°	150.0°
C17	C18	C23	H23B	111.3°	29.9°
C17	C18	C19	H19	179.9°	179.9°
C18	C17	C22	H22	179.9°	179.7°
C22	C17	C18	C23	179.8°	179.7°
C22	C17	C18	C19	0.0°	0.3°
C17	C22	C21	C20	0.1°	0.7°
C17	C22	C21	H22	180.0°	179.7°
C22	C17	N1	HN1	152.9°	145.8°
C17	C22	C21	H21	179.9°	179.7°
C23	C18	C19	C20	179.8°	180.0°
C18	C23	H23	H23A	120.0°	120.0°
C18	C23	H23	H23B	120.0°	120.0°
C18	C23	H23A	H23B	120.0°	120.0°
C23	C18	C19	H19	0.2°	0.1°
C18	C19	C20	H19	180.0°	179.9°
C18	C19	C20	C21	0.0°	0.0°
C18	C19	C20	S	179.5°	179.9°
C19	C18	C23	H23	51.4°	90.0°
C19	C18	C23	H23A	171.4°	30.0°
C19	C18	C23	H23B	68.6°	150.1°
C19	C20	C21	S	179.5°	179.9°
C19	C20	C21	C22	0.1°	0.4°
C19	C20	S	N3	93.2°	90.0°
C19	C20	S	O4	23.0°	156.5°
C19	C20	S	O5	146.3°	23.5°
C19	C20	C21	H21	179.9°	180.0°
C20	C21	C22	H21	180.0°	179.7°
C21	C20	S	N3	87.3°	90.0°
C21	C20	S	O4	156.5°	23.4°
C21	C20	S	O5	33.2°	156.4°
C21	C20	C19	H19	180.0°	179.9°
C20	C21	C22	H22	179.9°	179.7°
S	C20	C21	C22	179.4°	179.7°
C20	S	N3	C14	95.8°	65.0°
C20	S	N3	O4	114.9°	113.5°
C20	S	N3	O5	120.1°	113.6°
C20	S	O4	O5	123.3°	123.0°
S	C20	C19	H19	0.5°	0.0°
S	C20	C21	H21	0.6°	0.0°
C20	S	N3	HN3	84.2°	115.0°
C14	N3	S	HN3	180.0°	180.0°
N3	C14	C24	O6	180.0°	180.0°
N3	C14	C24	C25	147.1°	180.0°
C14	N3	S	O4	19.1°	48.5°
C14	N3	S	O5	144.1°	178.5°
N3	C14	C24	H24	92.9°	60.0°
N3	C14	C24	H24A	28.4°	60.0°
S	N3	C14	C24	160.2°	180.0°
S	N3	C14	O6	19.8°	0.0°
N3	S	O4	O5	125.2°	123.0°
C14	C24	C25	H24	120.0°	120.0°
C14	C24	C25	H24A	118.8°	120.0°
C24	C14	N3	HN3	19.8°	0.0°
C14	C24	H24	H24A	118.8°	120.0°
C14	C24	C25	H25	9.2°	60.0°
C14	C24	C25	H25A	110.8°	60.0°
C14	C24	C25	H25B	129.2°	180.0°
O6	C14	C24	C25	32.8°	0.0°
O6	C14	N3	HN3	160.2°	180.0°
O6	C14	C24	H24	87.2°	120.0°
O6	C14	C24	H24A	151.6°	120.0°
C25	C24	H24	H24A	118.8°	120.0°
C24	C25	H25	H25A	120.0°	120.0°
C24	C25	H25	H25B	120.0°	120.1°
C24	C25	H25A	H25B	120.0°	120.0°
O4	S	N3	HN3	160.9°	131.5°
O5	S	N3	HN3	36.0°	1.4°
H6	C6	C5	H5	0.0°	0.0°
H23	C23	H23A	H23B	120.0°	120.0°
H21	C21	C22	H22	0.1°	0.0°
H24	C24	C25	H25	129.2°	180.0°
H24	C24	C25	H25A	9.2°	60.0°
H24	C24	C25	H25B	110.9°	59.9°
H24A	C24	C25	H25	109.6°	60.0°
H24A	C24	C25	H25A	130.5°	180.0°
H24A	C24	C25	H25B	10.4°	60.0°
H25	C25	H25A	H25B	120.0°	120.0°

Definition date:	2008-07-10
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3DOL