WV2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	S	doub	1.42Å	0.00Å
C	S	sing	1.76Å	0.00Å
C	C1	doub	1.36Å	0.00Å	Aromatic
C1	C2	sing	1.39Å	0.00Å	Aromatic
C2	C3	doub	1.36Å	0.00Å	Aromatic
C3	C4	sing	1.40Å	0.00Å	Aromatic
C4	C5	doub	1.42Å	0.00Å	Aromatic
C5	C	sing	1.41Å	0.00Å	Aromatic
N	C5	sing	1.34Å	0.00Å	Aromatic
C6	N	doub	1.31Å	0.00Å	Aromatic
C7	C6	sing	1.39Å	0.00Å	Aromatic
C8	C7	doub	1.37Å	0.00Å	Aromatic
C4	C8	sing	1.41Å	0.00Å	Aromatic
N1	S	sing	1.66Å	0.00Å
C9	N1	sing	1.39Å	0.00Å
C9	C10	doub	1.39Å	0.00Å	Aromatic
C10	C11	sing	1.38Å	0.00Å	Aromatic
C11	C12	doub	1.40Å	0.00Å	Aromatic
C13	C12	sing	1.48Å	0.00Å
N2	C13	sing	1.35Å	0.00Å
N2	C14	sing	1.47Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C15	N3	sing	1.47Å	0.00Å
C16	N3	sing	1.47Å	0.00Å
C17	C16	sing	1.53Å	0.00Å
C17	C18	sing	1.53Å	0.00Å
C18	C19	sing	1.53Å	0.00Å
C19	C17	sing	1.53Å	0.00Å
N3	C20	sing	1.47Å	0.00Å
C20	C21	sing	1.53Å	0.00Å
C21	N2	sing	1.47Å	0.00Å
O1	C13	doub	1.21Å	0.00Å
C12	C22	sing	1.40Å	0.00Å	Aromatic
C22	C23	doub	1.38Å	0.00Å	Aromatic
C23	C9	sing	1.39Å	0.00Å	Aromatic
S	O2	doub	1.42Å	0.00Å
C8	H5	sing	1.08Å	0.00Å
C6	H3	sing	1.08Å	0.00Å
N1	H6	sing	0.97Å	0.00Å
C2	H1	sing	1.08Å	0.00Å
C7	H4	sing	1.08Å	0.00Å
C3	H2	sing	1.08Å	0.00Å
C1	H	sing	1.08Å	0.00Å
C23	H25	sing	1.08Å	0.00Å
C22	H24	sing	1.08Å	0.00Å
C11	H8	sing	1.08Å	0.00Å
C10	H7	sing	1.08Å	0.00Å
C21	H22	sing	1.09Å	0.00Å
C21	H23	sing	1.09Å	0.00Å
C20	H20	sing	1.09Å	0.00Å
C20	H21	sing	1.09Å	0.00Å
C15	H11	sing	1.09Å	0.00Å
C15	H12	sing	1.09Å	0.00Å
C14	H9	sing	1.09Å	0.00Å
C14	H10	sing	1.09Å	0.00Å
C16	H14	sing	1.09Å	0.00Å
C16	H13	sing	1.09Å	0.00Å
C17	H15	sing	1.09Å	0.00Å
C19	H19	sing	1.09Å	0.00Å
C19	H18	sing	1.09Å	0.00Å
C18	H16	sing	1.09Å	0.00Å
C18	H17	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	S	C	90.0°	106.4°
O	S	N1	90.0°	106.4°
O	S	O2	90.0°	123.2°
S	C	C1	90.0°	120.1°
S	C	C5	90.0°	120.1°
C	S	N1	90.0°	107.2°
C	S	O2	90.0°	106.4°
C	C1	C2	90.0°	121.0°
C1	C	C5	90.0°	119.8°
C	C1	H	90.0°	119.5°
C1	C2	C3	90.0°	120.8°
C1	C2	H1	90.0°	119.6°
C2	C1	H	90.0°	119.4°
C2	C3	C4	90.0°	119.6°
C3	C2	H1	90.0°	119.6°
C2	C3	H2	90.0°	120.1°
C3	C4	C5	90.0°	119.6°
C3	C4	C8	90.0°	121.4°
C4	C3	H2	90.0°	120.2°
C4	C5	C	90.0°	119.1°
C4	C5	N	90.0°	119.8°
C5	C4	C8	90.0°	119.0°
C	C5	N	90.0°	121.1°
C5	N	C6	90.0°	121.4°
N	C6	C7	90.0°	121.7°
N	C6	H3	90.0°	119.1°
C6	C7	C8	90.0°	120.0°
C7	C6	H3	90.0°	119.2°
C6	C7	H4	90.0°	120.0°
C7	C8	C4	90.0°	118.1°
C7	C8	H5	90.0°	121.0°
C8	C7	H4	90.0°	120.0°
C4	C8	H5	90.0°	120.9°
S	N1	C9	90.0°	120.0°
N1	S	O2	90.0°	106.4°
S	N1	H6	90.0°	120.0°
N1	C9	C10	90.0°	119.9°
N1	C9	C23	90.0°	119.9°
C9	N1	H6	90.0°	119.9°
C9	C10	C11	90.0°	120.0°
C10	C9	C23	90.0°	120.2°
C9	C10	H7	90.0°	120.0°
C10	C11	C12	90.0°	119.9°
C10	C11	H8	90.0°	120.0°
C11	C10	H7	90.0°	120.0°
C11	C12	C13	90.0°	120.1°
C11	C12	C22	90.0°	119.9°
C12	C11	H8	90.0°	120.1°
C12	C13	N2	90.0°	120.0°
C12	C13	O1	90.0°	120.0°
C13	C12	C22	90.0°	120.0°
C13	N2	C14	90.0°	120.9°
C13	N2	C21	90.0°	120.9°
N2	C13	O1	90.0°	120.0°
N2	C14	C15	90.0°	108.6°
C14	N2	C21	90.0°	118.2°
N2	C14	H9	90.0°	109.6°
N2	C14	H10	90.0°	109.6°
C14	C15	N3	90.0°	109.3°
C14	C15	H11	90.0°	109.5°
C14	C15	H12	90.0°	109.5°
C15	C14	H9	90.0°	109.7°
C15	C14	H10	90.0°	109.6°
C15	N3	C16	90.0°	111.0°
C15	N3	C20	90.0°	111.3°
N3	C15	H11	90.0°	109.5°
N3	C15	H12	90.0°	109.5°
N3	C16	C17	90.0°	109.5°
C16	N3	C20	90.0°	111.1°
N3	C16	H14	90.0°	109.4°
N3	C16	H13	90.0°	109.5°
C16	C17	C18	90.0°	117.5°
C16	C17	C19	90.0°	117.5°
C17	C16	H14	90.0°	109.5°
C17	C16	H13	90.0°	109.5°
C16	C17	H15	90.0°	115.5°
C17	C18	C19	90.0°	60.0°
C18	C17	C19	90.0°	60.0°
C18	C17	H15	90.0°	117.5°
C17	C18	H16	90.0°	117.5°
C17	C18	H17	90.0°	117.5°
C18	C19	C17	90.0°	60.0°
C18	C19	H19	90.0°	117.5°
C18	C19	H18	90.0°	117.5°
C19	C18	H16	90.0°	117.5°
C19	C18	H17	90.0°	117.5°
C19	C17	H15	90.0°	117.6°
C17	C19	H19	90.0°	117.5°
C17	C19	H18	90.0°	117.5°
N3	C20	C21	90.0°	109.4°
N3	C20	H20	90.0°	109.4°
N3	C20	H21	90.0°	109.5°
C20	C21	N2	90.0°	108.5°
C20	C21	H22	90.0°	109.6°
C20	C21	H23	90.0°	109.8°
C21	C20	H20	90.0°	109.5°
C21	C20	H21	90.0°	109.5°
N2	C21	H22	90.0°	109.6°
N2	C21	H23	90.0°	109.6°
C12	C22	C23	90.0°	119.9°
C12	C22	H24	90.0°	120.0°
C22	C23	C9	90.0°	120.1°
C22	C23	H25	90.0°	119.9°
C23	C22	H24	90.0°	120.1°
C9	C23	H25	90.0°	120.0°
H22	C21	H23	90.0°	109.7°
H20	C20	H21	90.0°	109.5°
H11	C15	H12	90.0°	109.5°
H9	C14	H10	90.0°	109.8°
H14	C16	H13	90.0°	109.5°
H19	C19	H18	90.0°	115.6°
H16	C18	H17	90.0°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	S	C	N1	90.0°	113.5°
O	S	C	O2	90.0°	132.9°
O	S	C	C1	90.0°	130.7°
O	S	C	C5	90.0°	49.3°
O	S	N1	O2	90.0°	132.9°
O	S	N1	C9	90.0°	178.6°
O	S	N1	H6	90.0°	1.4°
S	C	C1	C5	90.0°	180.0°
S	C	C1	C2	90.0°	180.0°
S	C	C5	C4	90.0°	180.0°
S	C	C5	N	90.0°	0.1°
C	S	N1	O2	90.0°	113.6°
C	S	N1	C9	90.0°	65.1°
C	S	N1	H6	90.0°	114.9°
S	C	C1	H	90.0°	0.0°
C	C1	C2	H	90.0°	180.0°
C	C1	C2	C3	90.0°	0.0°
C1	C	C5	C4	90.0°	0.0°
C1	C	C5	N	90.0°	179.9°
C1	C	S	N1	90.0°	115.8°
C1	C	S	O2	90.0°	2.2°
C	C1	C2	H1	90.0°	180.0°
C1	C2	C3	H1	90.0°	180.0°
C1	C2	C3	C4	90.0°	0.0°
C2	C1	C	C5	90.0°	0.0°
C1	C2	C3	H2	90.0°	180.0°
C2	C3	C4	H2	90.0°	180.0°
C2	C3	C4	C5	90.0°	0.0°
C2	C3	C4	C8	90.0°	179.9°
C3	C2	C1	H	90.0°	180.0°
C3	C4	C5	C8	90.0°	179.9°
C3	C4	C5	C	90.0°	0.0°
C3	C4	C5	N	90.0°	179.9°
C3	C4	C8	C7	90.0°	179.9°
C3	C4	C8	H5	90.0°	0.3°
C4	C3	C2	H1	90.0°	180.0°
C4	C5	C	N	90.0°	179.9°
C4	C5	N	C6	90.0°	0.2°
C5	C4	C8	C7	90.0°	0.0°
C5	C4	C8	H5	90.0°	179.7°
C5	C4	C3	H2	90.0°	180.0°
C	C5	N	C6	90.0°	179.8°
C	C5	C4	C8	90.0°	180.0°
C5	C	S	N1	90.0°	64.2°
C5	C	S	O2	90.0°	177.8°
C5	C	C1	H	90.0°	180.0°
C5	N	C6	C7	90.0°	0.4°
N	C5	C4	C8	90.0°	0.0°
C5	N	C6	H3	90.0°	180.0°
N	C6	C7	H3	90.0°	179.6°
N	C6	C7	C8	90.0°	0.5°
N	C6	C7	H4	90.0°	179.5°
C6	C7	C8	H4	90.0°	179.9°
C6	C7	C8	C4	90.0°	0.2°
C6	C7	C8	H5	90.0°	180.0°
C7	C8	C4	H5	90.0°	179.7°
C8	C7	C6	H3	90.0°	180.0°
C4	C8	C7	H4	90.0°	179.7°
C8	C4	C3	H2	90.0°	0.1°
S	N1	C9	H6	90.0°	180.0°
S	N1	C9	C10	90.0°	134.0°
S	N1	C9	C23	90.0°	45.6°
N1	C9	C10	C23	90.0°	179.6°
N1	C9	C10	C11	90.0°	179.8°
N1	C9	C23	C22	90.0°	180.0°
C9	N1	S	O2	90.0°	48.5°
N1	C9	C23	H25	90.0°	0.1°
N1	C9	C10	H7	90.0°	0.1°
C9	C10	C11	H7	90.0°	179.7°
C9	C10	C11	C12	90.0°	0.6°
C10	C9	C23	C22	90.0°	0.4°
C10	C9	N1	H6	90.0°	46.0°
C10	C9	C23	H25	90.0°	179.8°
C9	C10	C11	H8	90.0°	179.7°
C10	C11	C12	H8	90.0°	179.7°
C10	C11	C12	C13	90.0°	179.8°
C10	C11	C12	C22	90.0°	0.3°
C11	C10	C9	C23	90.0°	0.6°
C11	C12	C13	C22	90.0°	179.9°
C11	C12	C13	N2	90.0°	33.3°
C11	C12	C13	O1	90.0°	146.7°
C11	C12	C22	C23	90.0°	0.1°
C11	C12	C22	H24	90.0°	180.0°
C12	C11	C10	H7	90.0°	179.7°
C12	C13	N2	O1	90.0°	179.9°
C12	C13	N2	C14	90.0°	5.5°
C12	C13	N2	C21	90.0°	174.5°
C13	C12	C22	C23	90.0°	180.0°
C13	C12	C22	H24	90.0°	0.0°
C13	C12	C11	H8	90.0°	0.0°
C13	N2	C14	C21	90.0°	180.0°
C13	N2	C14	C15	90.0°	128.8°
C13	N2	C21	C20	90.0°	128.8°
N2	C13	C12	C22	90.0°	146.7°
C13	N2	C21	H22	90.0°	9.1°
C13	N2	C21	H23	90.0°	111.3°
C13	N2	C14	H9	90.0°	111.5°
C13	N2	C14	H10	90.0°	9.1°
N2	C14	C15	H9	90.0°	119.7°
N2	C14	C15	H10	90.0°	119.7°
N2	C14	C15	N3	90.0°	53.8°
C14	N2	C21	C20	90.0°	51.2°
C14	N2	C13	O1	90.0°	174.5°
C14	N2	C21	H22	90.0°	170.9°
C14	N2	C21	H23	90.0°	68.7°
N2	C14	C15	H11	90.0°	66.1°
N2	C14	C15	H12	90.0°	173.8°
N2	C14	H9	H10	90.0°	120.5°
C14	C15	N3	H11	90.0°	119.9°
C14	C15	N3	H12	90.0°	120.0°
C14	C15	N3	C16	90.0°	172.7°
C14	C15	N3	C20	90.0°	63.1°
C15	C14	N2	C21	90.0°	51.2°
C14	C15	H11	H12	90.0°	120.1°
C15	C14	H9	H10	90.0°	120.5°
C15	N3	C16	C20	90.0°	124.3°
C15	N3	C16	C17	90.0°	65.7°
C15	N3	C20	C21	90.0°	63.1°
C15	N3	C20	H20	90.0°	176.9°
C15	N3	C20	H21	90.0°	56.9°
N3	C15	H11	H12	90.0°	120.1°
N3	C15	C14	H9	90.0°	65.9°
N3	C15	C14	H10	90.0°	173.5°
C15	N3	C16	H14	90.0°	54.3°
C15	N3	C16	H13	90.0°	174.3°
N3	C16	C17	H14	90.0°	120.0°
N3	C16	C17	H13	90.0°	120.0°
N3	C16	C17	C18	90.0°	175.0°
N3	C16	C17	C19	90.0°	116.3°
C16	N3	C20	C21	90.0°	172.7°
C16	N3	C20	H20	90.0°	52.8°
C16	N3	C20	H21	90.0°	67.3°
C16	N3	C15	H11	90.0°	67.4°
C16	N3	C15	H12	90.0°	52.7°
N3	C16	H14	H13	90.0°	120.0°
N3	C16	C17	H15	90.0°	29.3°
C16	C17	C18	C19	90.0°	107.5°
C16	C17	C18	H15	90.0°	145.0°
C16	C17	C19	H15	90.0°	145.0°
C17	C16	N3	C20	90.0°	170.0°
C17	C16	H14	H13	90.0°	120.0°
C16	C17	C19	H19	90.0°	145.1°
C16	C17	C19	H18	90.0°	0.0°
C16	C17	C18	H16	90.0°	0.0°
C16	C17	C18	H17	90.0°	145.0°
C17	C18	C19	H16	90.0°	107.4°
C17	C18	C19	H17	90.0°	107.4°
C18	C17	C19	H15	90.0°	107.5°
C18	C17	C16	H14	90.0°	65.0°
C18	C17	C16	H13	90.0°	55.0°
C18	C17	C19	H19	90.0°	107.4°
C18	C17	C19	H18	90.0°	107.5°
C17	C18	H16	H17	90.0°	145.6°
C18	C19	H19	H18	90.0°	145.6°
C19	C18	H16	H17	90.0°	145.8°
C19	C17	C16	H14	90.0°	3.6°
C19	C17	C16	H13	90.0°	123.6°
C17	C19	H19	H18	90.0°	145.8°
N3	C20	C21	H20	90.0°	119.9°
N3	C20	C21	H21	90.0°	120.0°
N3	C20	C21	N2	90.0°	53.9°
N3	C20	C21	H22	90.0°	173.5°
N3	C20	C21	H23	90.0°	65.9°
N3	C20	H20	H21	90.0°	120.0°
C20	N3	C15	H11	90.0°	56.8°
C20	N3	C15	H12	90.0°	176.9°
C20	N3	C16	H14	90.0°	70.0°
C20	N3	C16	H13	90.0°	50.0°
C20	C21	N2	H22	90.0°	119.7°
C20	C21	N2	H23	90.0°	119.9°
C20	C21	H22	H23	90.0°	120.6°
C21	C20	H20	H21	90.0°	120.1°
C21	N2	C13	O1	90.0°	5.5°
N2	C21	H22	H23	90.0°	120.4°
N2	C21	C20	H20	90.0°	173.8°
N2	C21	C20	H21	90.0°	66.2°
C21	N2	C14	H9	90.0°	68.5°
C21	N2	C14	H10	90.0°	170.9°
O1	C13	C12	C22	90.0°	33.4°
C12	C22	C23	H24	90.0°	180.0°
C12	C22	C23	C9	90.0°	0.1°
C12	C22	C23	H25	90.0°	180.0°
C22	C12	C11	H8	90.0°	180.0°
C22	C23	C9	H25	90.0°	179.9°
C23	C9	N1	H6	90.0°	134.4°
C9	C23	C22	H24	90.0°	179.9°
C23	C9	C10	H7	90.0°	179.7°
O2	S	N1	H6	90.0°	131.5°
H5	C8	C7	H4	90.0°	0.0°
H3	C6	C7	H4	90.0°	0.1°
H1	C2	C3	H2	90.0°	0.0°
H1	C2	C1	H	90.0°	0.0°
H25	C23	C22	H24	90.0°	0.1°
H8	C11	C10	H7	90.0°	0.0°
H22	C21	C20	H20	90.0°	66.6°
H22	C21	C20	H21	90.0°	53.5°
H23	C21	C20	H20	90.0°	54.0°
H23	C21	C20	H21	90.0°	174.0°
H11	C15	C14	H9	90.0°	174.2°
H11	C15	C14	H10	90.0°	53.6°
H12	C15	C14	H9	90.0°	54.1°
H12	C15	C14	H10	90.0°	66.5°
H14	C16	C17	H15	90.0°	149.3°
H13	C16	C17	H15	90.0°	90.7°
H15	C17	C19	H19	90.0°	0.1°
H15	C17	C19	H18	90.0°	145.0°
H15	C17	C18	H16	90.0°	144.9°
H15	C17	C18	H17	90.0°	0.0°
H19	C19	C18	H16	90.0°	145.0°
H19	C19	C18	H17	90.0°	0.1°
H18	C19	C18	H16	90.0°	0.1°
H18	C19	C18	H17	90.0°	145.1°

Release date:	2024-05-15
Definition date:	2023-05-19
Last modified:	2024-05-10
Release status:	REL
Processing site:	RCSB