WWA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.36Å	1.34Å
C	C1	doub	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C2	S	sing	1.76Å	1.66Å
C3	S	sing	1.76Å	1.69Å
C3	C4	doub	1.36Å	1.37Å	Aromatic
C4	C5	sing	1.41Å	1.42Å	Aromatic
C5	N	doub	1.34Å	1.36Å	Aromatic
N	C6	sing	1.31Å	1.31Å	Aromatic
C6	C7	doub	1.39Å	1.45Å	Aromatic
S1	C7	sing	1.76Å	1.70Å
C8	S1	sing	1.76Å	1.68Å
C8	C9	doub	1.38Å	1.40Å	Aromatic
C9	C10	sing	1.39Å	1.41Å	Aromatic
O1	C10	sing	1.36Å	1.37Å
C10	C11	doub	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.39Å	1.40Å	Aromatic
O2	C12	sing	1.36Å	1.36Å
C12	C13	doub	1.39Å	1.39Å	Aromatic
C13	C8	sing	1.38Å	1.41Å	Aromatic
O3	S1	doub	1.42Å	1.42Å
O4	S1	doub	1.42Å	1.41Å
C7	C14	sing	1.37Å	1.37Å	Aromatic
C14	C15	doub	1.41Å	1.43Å	Aromatic
C5	C15	sing	1.42Å	1.41Å	Aromatic
C15	N1	sing	1.33Å	1.39Å	Aromatic
N1	C16	doub	1.31Å	1.34Å	Aromatic
C16	C3	sing	1.39Å	1.45Å	Aromatic
O5	S	doub	1.42Å	1.41Å
S	O6	doub	1.42Å	1.42Å
C17	C2	doub	1.38Å	1.41Å	Aromatic
C18	C17	sing	1.39Å	1.39Å	Aromatic
O7	C18	sing	1.36Å	1.35Å
C19	C18	doub	1.39Å	1.40Å	Aromatic
C	C19	sing	1.39Å	1.38Å	Aromatic
O1	H5	sing	0.97Å	0.95Å
O2	H7	sing	0.97Å	0.95Å
C1	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
O7	H12	sing	0.97Å	0.95Å
C19	H13	sing	1.08Å	1.08Å
O	H	sing	0.97Å	0.95Å
C16	H10	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	113.9°	120.0°
O	C	C19	123.8°	120.1°
C	O	H	109.5°	114.0°
C	C1	C2	119.4°	120.1°
C1	C	C19	122.2°	119.9°
C	C1	H1	120.3°	120.0°
C1	C2	S	121.0°	119.9°
C1	C2	C17	120.0°	120.1°
C2	C1	H1	120.3°	119.9°
C2	S	C3	102.9°	107.2°
C2	S	O5	107.7°	106.4°
C2	S	O6	110.9°	106.4°
S	C2	C17	119.1°	120.0°
S	C3	C4	122.4°	120.0°
S	C3	C16	120.3°	120.0°
C3	S	O5	109.4°	106.4°
C3	S	O6	106.5°	106.4°
C3	C4	C5	120.1°	118.3°
C4	C3	C16	117.2°	120.0°
C3	C4	H2	120.0°	120.8°
C4	C5	N	116.2°	121.2°
C4	C5	C15	119.4°	118.7°
C5	C4	H2	119.9°	120.9°
C5	N	C6	115.9°	121.3°
N	C5	C15	124.3°	120.1°
N	C6	C7	125.7°	121.7°
N	C6	H3	117.1°	119.1°
C6	C7	S1	118.4°	120.0°
C6	C7	C14	117.5°	120.0°
C7	C6	H3	117.1°	119.2°
C7	S1	C8	104.4°	107.2°
C7	S1	O3	107.8°	106.4°
C7	S1	O4	107.9°	106.4°
S1	C7	C14	124.0°	120.0°
S1	C8	C9	121.1°	120.0°
S1	C8	C13	118.8°	119.9°
C8	S1	O3	110.2°	106.4°
C8	S1	O4	106.7°	106.4°
C8	C9	C10	119.2°	120.0°
C9	C8	C13	120.0°	120.1°
C8	C9	H4	120.4°	120.0°
C9	C10	O1	114.9°	120.0°
C9	C10	C11	121.4°	120.0°
C10	C9	H4	120.4°	120.0°
O1	C10	C11	123.7°	120.0°
C10	O1	H5	109.5°	114.1°
C10	C11	C12	118.3°	119.9°
C10	C11	H6	120.8°	120.0°
C11	C12	O2	114.5°	120.1°
C11	C12	C13	121.2°	119.9°
C12	C11	H6	120.8°	120.1°
O2	C12	C13	124.3°	120.0°
C12	O2	H7	109.5°	114.0°
C12	C13	C8	119.8°	120.1°
C12	C13	H8	120.1°	120.0°
C8	C13	H8	120.1°	119.9°
O3	S1	O4	118.9°	123.1°
C7	C14	C15	118.5°	118.2°
C7	C14	H9	120.8°	120.8°
C14	C15	C5	118.0°	118.7°
C14	C15	N1	120.3°	121.2°
C15	C14	H9	120.8°	120.9°
C5	C15	N1	121.6°	120.1°
C15	N1	C16	117.0°	121.3°
N1	C16	C3	124.7°	121.6°
N1	C16	H10	117.6°	119.1°
C3	C16	H10	117.7°	119.2°
O5	S	O6	118.3°	123.1°
C2	C17	C18	119.1°	120.1°
C2	C17	H11	120.4°	120.0°
C17	C18	O7	124.0°	120.0°
C17	C18	C19	121.5°	120.0°
C18	C17	H11	120.5°	120.0°
O7	C18	C19	114.5°	120.0°
C18	O7	H12	109.5°	114.0°
C18	C19	C	117.8°	119.9°
C18	C19	H13	121.1°	120.1°
C	C19	H13	121.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C19	176.4°	179.5°
O	C	C1	C2	175.2°	180.0°
O	C	C19	C18	174.4°	180.0°
O	C	C1	H1	4.8°	0.3°
O	C	C19	H13	5.6°	0.2°
C	C1	C2	H1	180.0°	179.6°
C	C1	C2	S	179.7°	179.7°
C	C1	C2	C17	0.2°	0.3°
C1	C	C19	C18	1.6°	0.5°
C1	C	C19	H13	178.4°	179.7°
C1	C	O	H	180.0°	90.0°
C1	C2	S	C17	179.5°	180.0°
C1	C2	S	C3	81.7°	90.0°
C1	C2	S	O5	162.8°	23.6°
C1	C2	S	O6	31.8°	156.4°
C1	C2	C17	C18	0.4°	0.0°
C2	C1	C	C19	1.3°	0.5°
C1	C2	C17	H11	179.6°	180.0°
C2	S	C3	O5	114.3°	113.6°
C2	S	C3	O6	116.7°	113.5°
C2	S	C3	C4	101.1°	90.0°
C2	S	C3	C16	80.1°	89.7°
C2	S	O5	O6	126.7°	122.9°
S	C2	C17	C18	179.1°	180.0°
S	C2	C1	H1	0.3°	0.0°
S	C2	C17	H11	0.8°	0.0°
S	C3	C4	C16	178.9°	179.7°
S	C3	C4	C5	179.4°	180.0°
S	C3	C16	N1	178.2°	180.0°
C3	S	O5	O6	122.2°	123.0°
C3	S	C2	C17	98.7°	90.0°
S	C3	C4	H2	0.6°	0.0°
S	C3	C16	H10	1.8°	0.0°
C3	C4	C5	H2	180.0°	180.0°
C3	C4	C5	N	175.9°	180.0°
C3	C4	C5	C15	1.2°	0.0°
C4	C3	C16	N1	0.7°	0.3°
C4	C3	S	O5	13.2°	156.5°
C4	C3	S	O6	142.2°	23.6°
C4	C3	C16	H10	179.3°	179.7°
C4	C5	N	C15	176.9°	180.0°
C4	C5	N	C6	177.1°	180.0°
C4	C5	C15	C14	177.8°	179.9°
C4	C5	C15	N1	0.8°	0.3°
C5	C4	C3	C16	0.5°	0.3°
C5	N	C6	C7	0.8°	0.0°
N	C5	C15	C14	1.0°	0.0°
N	C5	C15	N1	176.0°	179.7°
N	C5	C4	H2	4.1°	0.0°
C5	N	C6	H3	179.2°	180.0°
N	C6	C7	H3	180.0°	180.0°
N	C6	C7	S1	178.5°	180.0°
N	C6	C7	C14	0.9°	0.0°
C6	N	C5	C15	0.2°	0.0°
C6	C7	S1	C14	179.3°	180.0°
C6	C7	S1	C8	104.4°	90.0°
C6	C7	S1	O3	138.4°	23.6°
C6	C7	S1	O4	8.8°	156.4°
C6	C7	C14	C15	0.0°	0.0°
C6	C7	C14	H9	179.9°	179.9°
C7	S1	C8	O3	115.5°	113.6°
C7	S1	C8	O4	114.1°	113.6°
C7	S1	C8	C9	99.3°	90.0°
C7	S1	C8	C13	84.2°	89.7°
C7	S1	O3	O4	123.1°	123.0°
S1	C7	C14	C15	179.4°	180.0°
S1	C7	C6	H3	1.5°	0.0°
S1	C7	C14	H9	0.6°	0.1°
S1	C8	C9	C13	176.5°	179.7°
S1	C8	C9	C10	175.2°	179.7°
S1	C8	C13	C12	175.7°	180.0°
C8	S1	O3	O4	123.5°	122.9°
C8	S1	C7	C14	74.9°	90.0°
S1	C8	C13	H8	4.3°	0.0°
S1	C8	C9	H4	4.8°	0.0°
C8	C9	C10	H4	180.0°	179.6°
C8	C9	C10	O1	175.9°	179.7°
C8	C9	C10	C11	1.4°	0.6°
C9	C8	C13	C12	0.9°	0.3°
C9	C8	S1	O3	16.3°	156.4°
C9	C8	S1	O4	146.6°	23.6°
C9	C8	C13	H8	179.1°	179.7°
C9	C10	O1	C11	177.2°	179.7°
C9	C10	C11	C12	0.9°	0.3°
C10	C9	C8	C13	1.3°	0.6°
C9	C10	O1	H5	180.0°	89.7°
C9	C10	C11	H6	179.1°	179.7°
O1	C10	C11	C12	176.1°	180.0°
O1	C10	C11	H6	3.9°	0.0°
O1	C10	C9	H4	4.1°	0.1°
C10	C11	C12	H6	180.0°	180.0°
C10	C11	C12	O2	178.9°	180.0°
C10	C11	C12	C13	0.4°	0.0°
C11	C10	O1	H5	2.8°	90.0°
C11	C10	C9	H4	178.6°	179.8°
C11	C12	O2	C13	179.2°	180.0°
C11	C12	C13	C8	0.4°	0.0°
C11	C12	O2	H7	180.0°	90.0°
C11	C12	C13	H8	179.6°	180.0°
O2	C12	C13	C8	178.8°	180.0°
O2	C12	C13	H8	1.2°	0.0°
O2	C12	C11	H6	1.1°	0.0°
C12	C13	C8	H8	180.0°	180.0°
C13	C12	O2	H7	0.8°	90.0°
C13	C12	C11	H6	179.6°	180.0°
C13	C8	S1	O3	160.3°	23.8°
C13	C8	S1	O4	30.0°	156.7°
C13	C8	C9	H4	178.7°	179.8°
O3	S1	C7	C14	42.3°	156.4°
O4	S1	C7	C14	171.8°	23.5°
C7	C14	C15	H9	180.0°	179.9°
C7	C14	C15	C5	0.8°	0.0°
C7	C14	C15	N1	176.2°	179.7°
C14	C7	C6	H3	179.1°	180.0°
C14	C15	C5	N1	177.0°	179.7°
C14	C15	N1	C16	176.6°	180.0°
C5	C15	N1	C16	0.3°	0.3°
C15	C5	C4	H2	178.8°	180.0°
C5	C15	C14	H9	179.1°	180.0°
C15	N1	C16	C3	1.1°	0.0°
C15	N1	C16	H10	178.9°	180.0°
N1	C15	C14	H9	3.8°	0.4°
N1	C16	C3	H10	180.0°	180.0°
C16	C3	S	O5	165.6°	23.9°
C16	C3	S	O6	36.6°	156.7°
C16	C3	C4	H2	179.5°	179.7°
O5	S	C2	C17	16.8°	156.4°
O6	S	C2	C17	147.7°	23.6°
C2	C17	C18	H11	180.0°	179.9°
C2	C17	C18	O7	179.1°	180.0°
C2	C17	C18	C19	0.0°	0.0°
C17	C2	C1	H1	179.8°	180.0°
C17	C18	O7	C19	179.2°	180.0°
C17	C18	C19	C	1.0°	0.2°
C17	C18	O7	H12	180.0°	90.1°
C17	C18	C19	H13	179.0°	180.0°
O7	C18	C19	C	178.2°	179.8°
O7	C18	C17	H11	0.9°	0.1°
O7	C18	C19	H13	1.8°	0.0°
C18	C19	C	H13	180.0°	179.8°
C19	C18	C17	H11	180.0°	179.9°
C19	C18	O7	H12	0.8°	89.9°
C19	C	C1	H1	178.7°	179.8°
C19	C	O	H	3.7°	89.5°

Release date:	2026-10-14
Definition date:	2023-05-19
Last modified:	2026-10-09
Release status:	REL
Processing site:	RCSB
Derived from:	7G2B