WW5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.36Å	1.38Å
C	C1	doub	1.39Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.42Å	Aromatic
C2	S	sing	1.76Å	1.69Å
C3	S	sing	1.76Å	1.70Å
C3	C4	doub	1.36Å	1.37Å	Aromatic
C4	C5	sing	1.41Å	1.45Å	Aromatic
C5	N	doub	1.33Å	1.39Å	Aromatic
N	C6	sing	1.31Å	1.35Å	Aromatic
C6	C7	doub	1.39Å	1.45Å	Aromatic
S1	C7	sing	1.76Å	1.68Å
C8	S1	sing	1.76Å	1.67Å
C8	C9	doub	1.38Å	1.41Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
O1	C11	sing	1.36Å	1.37Å
C11	C12	sing	1.39Å	1.43Å	Aromatic
O2	C12	sing	1.36Å	1.37Å
C12	C13	doub	1.39Å	1.38Å	Aromatic
C13	C8	sing	1.38Å	1.39Å	Aromatic
O3	S1	doub	1.42Å	1.40Å
O4	S1	doub	1.42Å	1.40Å
C7	C14	sing	1.37Å	1.38Å	Aromatic
C14	C15	doub	1.41Å	1.42Å	Aromatic
C5	C15	sing	1.42Å	1.43Å	Aromatic
C15	N1	sing	1.34Å	1.36Å	Aromatic
N1	C16	doub	1.31Å	1.35Å	Aromatic
C16	C3	sing	1.39Å	1.43Å	Aromatic
O5	S	doub	1.42Å	1.41Å
S	O6	doub	1.42Å	1.43Å
C17	C2	doub	1.38Å	1.42Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C19	C18	doub	1.38Å	1.41Å	Aromatic
C	C19	sing	1.39Å	1.41Å	Aromatic
O7	C19	sing	1.36Å	1.34Å
C6	H3	sing	1.08Å	1.08Å
O2	H7	sing	0.97Å	0.95Å
C10	H5	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
O1	H6	sing	0.97Å	0.95Å
C17	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.08Å	1.08Å
O7	H13	sing	0.97Å	0.95Å
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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	115.6°	120.0°
O	C	C19	124.6°	120.1°
C	O	H	109.5°	114.0°
C	C1	C2	120.9°	120.0°
C1	C	C19	119.4°	119.9°
C	C1	H1	119.5°	120.0°
C1	C2	S	120.1°	120.0°
C1	C2	C17	117.9°	120.1°
C2	C1	H1	119.6°	120.0°
C2	S	C3	103.5°	107.2°
C2	S	O5	105.8°	106.4°
C2	S	O6	109.4°	106.4°
S	C2	C17	122.0°	119.9°
S	C3	C4	125.4°	120.0°
S	C3	C16	118.0°	120.0°
C3	S	O5	108.1°	106.4°
C3	S	O6	109.7°	106.4°
C3	C4	C5	118.9°	118.2°
C4	C3	C16	116.6°	120.0°
C3	C4	H2	120.6°	120.9°
C4	C5	N	118.6°	121.1°
C4	C5	C15	118.9°	118.7°
C5	C4	H2	120.6°	120.9°
C5	N	C6	115.6°	121.3°
N	C5	C15	122.4°	120.2°
N	C6	C7	125.4°	121.6°
N	C6	H3	117.3°	119.2°
C6	C7	S1	119.7°	120.0°
C6	C7	C14	117.8°	120.0°
C7	C6	H3	117.3°	119.2°
C7	S1	C8	104.7°	107.2°
C7	S1	O3	107.0°	106.4°
C7	S1	O4	108.5°	106.4°
S1	C7	C14	122.4°	120.0°
S1	C8	C9	121.5°	119.9°
S1	C8	C13	120.7°	119.9°
C8	S1	O3	110.1°	106.4°
C8	S1	O4	107.3°	106.4°
C8	C9	C10	123.1°	120.2°
C9	C8	C13	117.7°	120.2°
C8	C9	H4	118.4°	119.9°
C9	C10	C11	118.7°	120.0°
C9	C10	H5	120.6°	120.0°
C10	C9	H4	118.5°	119.9°
C10	C11	O1	115.6°	120.1°
C10	C11	C12	118.6°	119.8°
C11	C10	H5	120.6°	120.0°
O1	C11	C12	125.9°	120.1°
C11	O1	H6	109.5°	114.0°
C11	C12	O2	117.8°	120.0°
C11	C12	C13	121.2°	119.9°
O2	C12	C13	121.0°	120.0°
C12	O2	H7	109.5°	114.0°
C12	C13	C8	120.7°	119.9°
C12	C13	H8	119.7°	120.0°
C8	C13	H8	119.6°	120.0°
O3	S1	O4	118.4°	123.2°
C7	C14	C15	118.8°	118.2°
C7	C14	H9	120.6°	120.9°
C14	C15	C5	120.0°	118.7°
C14	C15	N1	117.3°	121.1°
C15	C14	H9	120.6°	120.9°
C5	C15	N1	122.7°	120.2°
C15	N1	C16	115.4°	121.3°
N1	C16	C3	127.5°	121.6°
N1	C16	H10	116.3°	119.2°
C3	C16	H10	116.2°	119.2°
O5	S	O6	119.2°	123.2°
C2	C17	C18	122.0°	120.2°
C2	C17	H11	119.0°	119.9°
C17	C18	C19	118.7°	120.0°
C18	C17	H11	119.0°	119.9°
C17	C18	H12	120.7°	119.9°
C18	C19	C	121.0°	119.9°
C18	C19	O7	123.5°	120.1°
C19	C18	H12	120.6°	120.1°
C	C19	O7	115.5°	120.1°
C19	O7	H13	109.5°	114.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C19	173.3°	179.4°
O	C	C1	C2	170.0°	180.0°
O	C	C19	C18	170.3°	180.0°
O	C	C19	O7	7.8°	0.4°
O	C	C1	H1	10.0°	0.2°
C	C1	C2	H1	180.0°	179.8°
C	C1	C2	S	176.3°	179.7°
C	C1	C2	C17	1.7°	0.3°
C1	C	C19	C18	2.4°	0.6°
C1	C	C19	O7	179.5°	179.8°
C1	C	O	H	180.0°	90.0°
C1	C2	S	C17	178.0°	180.0°
C1	C2	S	C3	82.5°	90.0°
C1	C2	S	O5	31.1°	156.5°
C1	C2	S	O6	160.7°	23.6°
C1	C2	C17	C18	1.0°	0.0°
C2	C1	C	C19	3.4°	0.6°
C1	C2	C17	H11	179.1°	180.0°
C2	S	C3	O5	111.9°	113.5°
C2	S	C3	O6	116.6°	113.5°
C2	S	C3	C4	79.1°	90.0°
C2	S	C3	C16	102.0°	88.8°
C2	S	O5	O6	123.5°	122.9°
S	C2	C17	C18	179.0°	179.9°
S	C2	C1	H1	3.7°	0.1°
S	C2	C17	H11	1.0°	0.0°
S	C3	C4	C16	178.9°	178.8°
S	C3	C4	C5	178.5°	180.0°
S	C3	C16	N1	178.2°	180.0°
C3	S	O5	O6	126.1°	123.0°
C3	S	C2	C17	99.5°	90.0°
S	C3	C4	H2	1.5°	0.0°
S	C3	C16	H10	1.7°	0.6°
C3	C4	C5	H2	180.0°	180.0°
C3	C4	C5	N	178.3°	179.9°
C3	C4	C5	C15	0.4°	0.6°
C4	C3	C16	N1	0.7°	1.2°
C4	C3	S	O5	169.0°	23.5°
C4	C3	S	O6	37.5°	156.5°
C4	C3	C16	H10	179.3°	179.5°
C4	C5	N	C15	178.7°	179.5°
C4	C5	N	C6	179.5°	180.0°
C4	C5	C15	C14	180.0°	179.8°
C4	C5	C15	N1	1.1°	0.0°
C5	C4	C3	C16	0.4°	1.2°
C5	N	C6	C7	0.8°	0.0°
N	C5	C15	C14	1.4°	0.8°
N	C5	C15	N1	177.6°	179.5°
C5	N	C6	H3	179.1°	179.8°
N	C5	C4	H2	1.7°	0.1°
N	C6	C7	H3	180.0°	179.8°
N	C6	C7	S1	174.8°	179.7°
N	C6	C7	C14	2.0°	0.3°
C6	N	C5	C15	0.9°	0.5°
C6	C7	S1	C14	176.6°	180.0°
C6	C7	S1	C8	80.0°	90.0°
C6	C7	S1	O3	163.2°	156.5°
C6	C7	S1	O4	34.3°	23.6°
C6	C7	C14	C15	1.4°	0.0°
C6	C7	C14	H9	178.6°	180.0°
C7	S1	C8	O3	114.7°	113.5°
C7	S1	C8	O4	115.1°	113.5°
C7	S1	C8	C9	83.2°	90.0°
C7	S1	C8	C13	98.8°	90.0°
C7	S1	O3	O4	122.8°	122.9°
S1	C7	C14	C15	175.3°	180.0°
S1	C7	C6	H3	5.3°	0.0°
S1	C7	C14	H9	4.7°	0.0°
S1	C8	C9	C13	178.1°	179.9°
S1	C8	C9	C10	177.9°	180.0°
S1	C8	C13	C12	177.4°	180.0°
C8	S1	O3	O4	123.9°	123.0°
C8	S1	C7	C14	96.6°	90.0°
S1	C8	C9	H4	2.1°	0.0°
S1	C8	C13	H8	2.6°	0.1°
C8	C9	C10	H4	180.0°	180.0°
C8	C9	C10	C11	0.2°	0.0°
C9	C8	C13	C12	0.7°	0.1°
C9	C8	S1	O3	162.1°	23.5°
C9	C8	S1	O4	32.0°	156.5°
C8	C9	C10	H5	179.8°	179.9°
C9	C8	C13	H8	179.3°	180.0°
C9	C10	C11	H5	180.0°	180.0°
C9	C10	C11	O1	179.0°	179.7°
C9	C10	C11	C12	0.0°	0.0°
C10	C9	C8	C13	0.2°	0.0°
C10	C11	O1	C12	179.0°	179.7°
C10	C11	C12	O2	177.6°	180.0°
C10	C11	C12	C13	0.5°	0.1°
C11	C10	C9	H4	179.8°	180.0°
C10	C11	O1	H6	180.0°	90.3°
O1	C11	C12	O2	1.4°	0.2°
O1	C11	C12	C13	179.4°	179.7°
O1	C11	C10	H5	1.0°	0.2°
C11	C12	O2	C13	178.1°	179.9°
C11	C12	C13	C8	0.8°	0.1°
C11	C12	O2	H7	180.0°	90.0°
C12	C11	C10	H5	180.0°	180.0°
C12	C11	O1	H6	1.0°	89.9°
C11	C12	C13	H8	179.2°	180.0°
O2	C12	C13	C8	177.2°	180.0°
O2	C12	C13	H8	2.8°	0.1°
C12	C13	C8	H8	180.0°	179.9°
C13	C12	O2	H7	1.9°	89.9°
C13	C8	S1	O3	15.9°	156.4°
C13	C8	S1	O4	146.1°	23.5°
C13	C8	C9	H4	179.8°	179.9°
O3	S1	C7	C14	20.2°	23.5°
O4	S1	C7	C14	149.0°	156.4°
C7	C14	C15	H9	180.0°	180.0°
C7	C14	C15	C5	0.2°	0.5°
C7	C14	C15	N1	178.8°	179.8°
C14	C7	C6	H3	178.0°	180.0°
C14	C15	C5	N1	178.9°	179.7°
C14	C15	N1	C16	179.8°	179.7°
C5	C15	N1	C16	0.8°	0.0°
C15	C5	C4	H2	179.6°	179.4°
C5	C15	C14	H9	179.8°	179.5°
C15	N1	C16	C3	0.1°	0.6°
C15	N1	C16	H10	179.9°	179.9°
N1	C15	C14	H9	1.2°	0.3°
N1	C16	C3	H10	180.0°	179.3°
C16	C3	S	O5	9.9°	157.7°
C16	C3	S	O6	141.4°	24.7°
C16	C3	C4	H2	179.6°	178.8°
O5	S	C2	C17	146.9°	23.5°
O6	S	C2	C17	17.3°	156.5°
C2	C17	C18	H11	180.0°	180.0°
C2	C17	C18	C19	1.9°	0.1°
C17	C2	C1	H1	178.3°	180.0°
C2	C17	C18	H12	178.1°	180.0°
C17	C18	C19	H12	180.0°	179.9°
C17	C18	C19	C	0.2°	0.4°
C17	C18	C19	O7	177.7°	179.9°
C18	C19	C	O7	178.1°	179.6°
C19	C18	C17	H11	178.1°	180.0°
C18	C19	O7	H13	180.0°	89.9°
C19	C	C1	H1	176.6°	179.7°
C	C19	C18	H12	179.8°	179.7°
C	C19	O7	H13	1.9°	89.6°
C19	C	O	H	7.1°	89.4°
O7	C19	C18	H12	2.2°	0.1°
H5	C10	C9	H4	0.2°	0.0°
H11	C17	C18	H12	1.9°	0.0°

Release date:	2026-10-14
Definition date:	2023-05-19
Last modified:	2026-10-09
Release status:	REL
Processing site:	RCSB
Derived from:	7G2A