ASW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O2	sing	1.43Å	1.38Å
O2	C3	sing	1.36Å	1.37Å
O10	S7	doub	1.42Å	1.44Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C8	S7	sing	1.81Å	1.77Å
C3	C13	sing	1.39Å	1.40Å	Aromatic
S7	N6	sing	1.66Å	1.63Å
S7	O9	doub	1.42Å	1.44Å
N6	C5	sing	1.40Å	1.44Å
C5	C11	doub	1.39Å	1.39Å	Aromatic
C26	C27	doub	1.36Å	1.39Å	Aromatic
C26	C25	sing	1.39Å	1.40Å	Aromatic
C27	C28	sing	1.40Å	1.42Å	Aromatic
C13	N14	sing	1.40Å	1.44Å
C13	C12	doub	1.39Å	1.40Å	Aromatic
N14	C15	sing	1.38Å	1.44Å
C25	C24	doub	1.36Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C28	C15	doub	1.41Å	1.44Å	Aromatic
C28	C23	sing	1.42Å	1.39Å	Aromatic
C15	C16	sing	1.41Å	1.43Å	Aromatic
C24	C23	sing	1.41Å	1.42Å	Aromatic
C23	N22	doub	1.33Å	1.38Å	Aromatic
C16	C17	doub	1.41Å	1.42Å	Aromatic
C16	C21	sing	1.42Å	1.38Å	Aromatic
C17	C18	sing	1.36Å	1.39Å	Aromatic
N22	C21	sing	1.33Å	1.38Å	Aromatic
C21	C20	doub	1.41Å	1.43Å	Aromatic
C18	C19	doub	1.40Å	1.40Å	Aromatic
C20	C19	sing	1.36Å	1.39Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
N6	H5	sing	0.97Å	1.00Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
N14	H11	sing	0.97Å	1.00Å
C17	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
C20	H15	sing	1.08Å	1.08Å
C24	H16	sing	1.08Å	1.08Å
C25	H17	sing	1.08Å	1.08Å
C26	H18	sing	1.08Å	1.08Å
C27	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O2	C3	119.2°	117.0°
O2	C1	H1	109.5°	109.5°
O2	C1	H2	109.5°	109.5°
O2	C1	H3	109.5°	109.5°
O2	C3	C4	119.2°	120.1°
O2	C3	C13	120.7°	120.0°
O10	S7	C8	111.1°	110.5°
O10	S7	N6	111.4°	104.3°
O10	S7	O9	100.9°	121.1°
C3	C4	C5	121.2°	120.0°
C4	C3	C13	120.1°	119.9°
C3	C4	H4	119.4°	120.0°
C4	C5	N6	118.8°	120.0°
C4	C5	C11	119.1°	120.0°
C5	C4	H4	119.4°	120.0°
C8	S7	N6	110.9°	104.5°
C8	S7	O9	110.8°	110.5°
S7	C8	H6	109.5°	109.5°
S7	C8	H7	109.5°	109.5°
S7	C8	H8	109.4°	109.5°
C3	C13	N14	119.1°	120.0°
C3	C13	C12	118.6°	119.9°
N6	S7	O9	111.4°	104.3°
S7	N6	C5	121.7°	120.0°
S7	N6	H5	106.3°	120.0°
N6	C5	C11	122.1°	120.0°
C5	N6	H5	106.3°	120.0°
C5	C11	C12	120.0°	120.1°
C5	C11	H9	120.0°	119.9°
C27	C26	C25	121.3°	120.9°
C26	C27	C28	119.6°	119.7°
C27	C26	H18	119.4°	119.6°
C26	C27	H19	120.2°	120.1°
C26	C25	C24	119.6°	121.1°
C26	C25	H17	120.2°	119.5°
C25	C26	H18	119.4°	119.5°
C27	C28	C15	122.6°	120.9°
C27	C28	C23	118.8°	119.7°
C28	C27	H19	120.2°	120.2°
N14	C13	C12	122.3°	120.0°
C13	N14	C15	126.1°	119.9°
C13	N14	H11	117.0°	120.0°
C13	C12	C11	121.0°	120.0°
C13	C12	H10	119.5°	120.0°
N14	C15	C28	123.8°	121.1°
N14	C15	C16	117.9°	121.2°
C15	N14	H11	116.9°	120.0°
C25	C24	C23	119.5°	119.8°
C25	C24	H16	120.3°	120.1°
C24	C25	H17	120.2°	119.4°
C12	C11	H9	120.0°	120.0°
C11	C12	H10	119.5°	120.0°
C15	C28	C23	118.5°	119.4°
C28	C15	C16	118.2°	117.7°
C28	C23	C24	121.2°	118.8°
C28	C23	N22	122.5°	120.8°
C15	C16	C17	120.2°	120.9°
C15	C16	C21	119.7°	119.5°
C24	C23	N22	116.3°	120.4°
C23	C24	H16	120.2°	120.1°
C23	N22	C21	119.0°	121.9°
C17	C16	C21	120.1°	119.6°
C16	C17	C18	119.5°	119.7°
C16	C17	H12	120.3°	120.2°
C16	C21	N22	122.0°	120.7°
C16	C21	C20	120.4°	118.9°
C17	C18	C19	120.8°	120.8°
C18	C17	H12	120.3°	120.1°
C17	C18	H13	119.6°	119.6°
N22	C21	C20	117.6°	120.5°
C21	C20	C19	119.4°	119.9°
C21	C20	H15	120.3°	120.1°
C18	C19	C20	119.8°	121.1°
C19	C18	H13	119.6°	119.6°
C18	C19	H14	120.1°	119.4°
C20	C19	H14	120.1°	119.5°
C19	C20	H15	120.3°	120.1°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H6	C8	H7	109.5°	109.5°
H6	C8	H8	109.5°	109.5°
H7	C8	H8	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O2	C3	C4	1.7°	0.2°
C1	O2	C3	C13	178.5°	180.0°
O2	C1	H1	H2	120.0°	120.0°
O2	C1	H1	H3	120.0°	120.0°
O2	C1	H2	H3	120.0°	120.0°
O2	C3	C4	C13	179.9°	179.8°
O2	C3	C4	C5	179.7°	180.0°
O2	C3	C13	N14	0.6°	0.0°
O2	C3	C13	C12	179.8°	179.7°
C3	O2	C1	H1	180.0°	180.0°
C3	O2	C1	H2	60.0°	60.0°
C3	O2	C1	H3	60.0°	60.0°
O2	C3	C4	H4	0.3°	0.1°
O10	S7	C8	N6	124.5°	111.6°
O10	S7	C8	O9	111.3°	136.8°
O10	S7	N6	O9	111.8°	127.9°
O10	S7	N6	C5	51.0°	177.4°
O10	S7	N6	H5	70.7°	2.5°
O10	S7	C8	H6	180.0°	178.2°
O10	S7	C8	H7	60.0°	61.8°
O10	S7	C8	H8	60.0°	58.2°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	N6	179.9°	179.9°
C3	C4	C5	C11	0.2°	0.1°
C4	C3	C13	N14	179.6°	179.8°
C4	C3	C13	C12	0.4°	0.4°
C5	C4	C3	C13	0.5°	0.2°
C4	C5	N6	S7	128.7°	165.5°
C4	C5	N6	C11	179.9°	180.0°
C4	C5	C11	C12	0.9°	0.0°
C4	C5	N6	H5	7.0°	14.5°
C4	C5	C11	H9	179.1°	180.0°
C8	S7	N6	O9	123.9°	116.0°
C8	S7	N6	C5	175.3°	61.4°
C8	S7	N6	H5	53.6°	118.6°
S7	C8	H6	H7	120.0°	120.0°
S7	C8	H6	H8	120.0°	120.0°
S7	C8	H7	H8	119.9°	120.0°
C3	C13	N14	C12	179.2°	179.8°
C3	C13	N14	C15	149.7°	174.0°
C3	C13	C12	C11	0.4°	0.5°
C13	C3	C4	H4	179.6°	179.8°
C3	C13	C12	H10	179.6°	179.7°
C3	C13	N14	H11	30.3°	6.0°
S7	N6	C5	H5	121.7°	180.0°
S7	N6	C5	C11	51.2°	14.5°
N6	S7	C8	H6	55.5°	66.5°
N6	S7	C8	H7	64.5°	173.4°
N6	S7	C8	H8	175.6°	53.5°
O9	S7	N6	C5	60.8°	54.7°
O9	S7	N6	H5	177.5°	125.3°
O9	S7	C8	H6	68.7°	45.1°
O9	S7	C8	H7	171.3°	75.0°
O9	S7	C8	H8	51.4°	165.1°
N6	C5	C11	C12	179.2°	180.0°
N6	C5	C4	H4	0.1°	0.0°
N6	C5	C11	H9	0.8°	0.0°
C5	C11	C12	C13	1.0°	0.3°
C5	C11	C12	H9	180.0°	179.9°
C11	C5	C4	H4	179.8°	180.0°
C11	C5	N6	H5	172.9°	165.5°
C5	C11	C12	H10	179.0°	179.9°
C27	C26	C25	H18	180.0°	179.7°
C26	C27	C28	H19	180.0°	179.8°
C27	C26	C25	C24	0.1°	0.0°
C26	C27	C28	C15	178.6°	179.7°
C26	C27	C28	C23	1.1°	0.6°
C27	C26	C25	H17	179.9°	180.0°
C25	C26	C27	C28	1.0°	0.3°
C26	C25	C24	H17	180.0°	180.0°
C26	C25	C24	C23	0.5°	0.0°
C26	C25	C24	H16	179.4°	180.0°
C25	C26	C27	H19	179.0°	179.9°
C27	C28	C15	N14	0.5°	0.5°
C27	C28	C15	C23	179.7°	179.2°
C27	C28	C15	C16	178.6°	179.7°
C27	C28	C23	C24	0.4°	0.6°
C27	C28	C23	N22	179.3°	179.8°
C28	C27	C26	H18	179.0°	179.9°
C13	N14	C15	H11	180.0°	180.0°
N14	C13	C12	C11	178.8°	179.7°
C13	N14	C15	C28	40.2°	82.7°
C13	N14	C15	C16	141.7°	97.1°
N14	C13	C12	H10	1.2°	0.1°
C12	C13	N14	C15	29.4°	5.8°
C13	C12	C11	H10	180.0°	179.8°
C13	C12	C11	H9	179.0°	179.8°
C12	C13	N14	H11	150.6°	174.3°
N14	C15	C28	C16	178.1°	179.9°
N14	C15	C28	C23	179.8°	179.7°
N14	C15	C16	C17	0.5°	0.1°
N14	C15	C16	C21	179.7°	180.0°
C25	C24	C23	C28	0.4°	0.3°
C25	C24	C23	H16	180.0°	179.9°
C25	C24	C23	N22	179.9°	180.0°
C24	C25	C26	H18	179.8°	179.7°
C15	C28	C23	C24	179.2°	179.8°
C15	C28	C23	N22	1.0°	0.6°
C28	C15	C16	C17	178.7°	179.8°
C28	C15	C16	C21	1.5°	0.2°
C28	C15	N14	H11	139.8°	97.3°
C15	C28	C27	H19	1.5°	0.5°
C23	C28	C15	C16	1.7°	0.5°
C28	C23	C24	N22	179.8°	179.7°
C28	C23	N22	C21	0.0°	0.3°
C28	C23	C24	H16	179.6°	179.8°
C23	C28	C27	H19	178.9°	179.7°
C15	C16	C17	C21	179.8°	179.9°
C15	C16	C17	C18	179.6°	180.0°
C15	C16	C21	N22	0.5°	0.1°
C15	C16	C21	C20	179.7°	180.0°
C16	C15	N14	H11	38.3°	82.8°
C15	C16	C17	H12	0.4°	0.1°
C24	C23	N22	C21	179.8°	180.0°
C23	C24	C25	H17	179.5°	180.0°
C23	N22	C21	C16	0.2°	0.0°
C23	N22	C21	C20	179.6°	179.9°
N22	C23	C24	H16	0.2°	0.1°
C16	C17	C18	H12	180.0°	179.8°
C17	C16	C21	N22	179.6°	180.0°
C17	C16	C21	C20	0.2°	0.1°
C16	C17	C18	C19	0.0°	0.0°
C16	C17	C18	H13	180.0°	180.0°
C21	C16	C17	C18	0.2°	0.1°
C16	C21	N22	C20	179.8°	179.9°
C16	C21	C20	C19	0.0°	0.0°
C21	C16	C17	H12	179.8°	179.9°
C16	C21	C20	H15	180.0°	179.9°
C17	C18	C19	H13	180.0°	180.0°
C17	C18	C19	C20	0.2°	0.0°
C17	C18	C19	H14	179.8°	180.0°
N22	C21	C20	C19	179.9°	180.0°
N22	C21	C20	H15	0.1°	0.0°
C21	C20	C19	C18	0.2°	0.0°
C21	C20	C19	H15	180.0°	179.9°
C21	C20	C19	H14	179.7°	180.0°
C18	C19	C20	H14	180.0°	180.0°
C19	C18	C17	H12	180.0°	179.9°
C18	C19	C20	H15	179.8°	180.0°
C20	C19	C18	H13	179.8°	180.0°
H1	C1	H2	H3	120.0°	120.0°
H6	C8	H7	H8	120.1°	120.0°
H9	C11	C12	H10	1.0°	0.0°
H12	C17	C18	H13	0.0°	0.1°
H13	C18	C19	H14	0.3°	0.0°
H14	C19	C20	H15	0.3°	0.1°
H16	C24	C25	H17	0.6°	0.1°
H17	C25	C26	H18	0.2°	0.3°
H18	C26	C27	H19	1.0°	0.3°

Release date:	2013-07-17
Definition date:	2012-07-25
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	4G0U