WKZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C33	C32	sing	1.53Å	1.62Å
C33	S34	sing	1.82Å	1.66Å
C32	N31	sing	1.45Å	1.60Å
S34	C35	sing	1.77Å	1.59Å
N31	C35	sing	1.33Å	1.57Å
N31	C29	sing	1.35Å	1.46Å
C35	O36	doub	1.22Å	1.18Å
O30	C29	doub	1.21Å	1.18Å
C29	C28	sing	1.51Å	1.52Å
C17	C18	doub	1.38Å	1.38Å	Aromatic
C17	C16	sing	1.40Å	1.38Å	Aromatic
C28	C27	sing	1.53Å	1.53Å
C13	C14	sing	1.40Å	1.36Å	Aromatic
C13	C12	doub	1.35Å	1.38Å	Aromatic
C14	C15	doub	1.36Å	1.37Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C12	C27	sing	1.51Å	1.53Å
C12	N11	sing	1.37Å	1.34Å	Aromatic
C15	C16	sing	1.48Å	1.53Å
C15	N11	sing	1.37Å	1.34Å	Aromatic
C04	C05	doub	1.38Å	1.38Å	Aromatic
C04	C03	sing	1.39Å	1.38Å	Aromatic
C16	C21	doub	1.40Å	1.39Å	Aromatic
C26	N25	doub	1.31Å	1.34Å	Aromatic
C26	N22	sing	1.36Å	1.34Å	Aromatic
N11	C03	sing	1.40Å	1.45Å
C19	N22	sing	1.40Å	1.45Å
C19	C20	doub	1.39Å	1.38Å	Aromatic
N25	C24	sing	1.34Å	1.32Å	Aromatic
C05	C06	sing	1.40Å	1.38Å	Aromatic
N22	C23	sing	1.37Å	1.31Å	Aromatic
C03	C02	doub	1.39Å	1.39Å	Aromatic
C21	C20	sing	1.38Å	1.38Å	Aromatic
C24	C23	doub	1.35Å	1.36Å	Aromatic
N10	C08	sing	1.35Å	1.45Å
C06	C08	sing	1.48Å	1.53Å
C06	C07	doub	1.40Å	1.38Å	Aromatic
C02	C07	sing	1.38Å	1.39Å	Aromatic
C02	C01	sing	1.51Å	1.53Å
C08	O09	doub	1.22Å	1.19Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
C23	H13	sing	1.08Å	1.08Å
C24	H14	sing	1.08Å	1.08Å
C26	H15	sing	1.08Å	1.08Å
C27	H16	sing	1.09Å	1.10Å
C27	H17	sing	1.09Å	1.10Å
C28	H18	sing	1.09Å	1.10Å
C28	H19	sing	1.09Å	1.10Å
C32	H20	sing	1.09Å	1.10Å
C32	H21	sing	1.09Å	1.10Å
C33	H22	sing	1.09Å	1.10Å
C33	H23	sing	1.09Å	1.10Å
N10	H24	sing	0.97Å	1.00Å
N10	H25	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	C33	S34	105.3°	104.0°
C33	C32	N31	106.5°	111.7°
C33	C32	H20	110.2°	109.0°
C33	C32	H21	110.2°	109.0°
C32	C33	H22	110.5°	110.5°
C32	C33	H23	110.5°	110.6°
C33	S34	C35	102.8°	95.9°
S34	C33	H22	110.5°	110.5°
S34	C33	H23	110.5°	110.5°
C32	N31	C35	106.0°	118.8°
C32	N31	C29	125.7°	120.6°
N31	C32	H20	110.2°	109.0°
N31	C32	H21	110.2°	109.0°
S34	C35	N31	105.5°	109.6°
S34	C35	O36	126.4°	125.2°
C35	N31	C29	128.3°	120.6°
N31	C35	O36	128.1°	125.2°
N31	C29	O30	120.1°	120.0°
N31	C29	C28	121.3°	120.0°
O30	C29	C28	118.6°	120.0°
C29	C28	C27	112.0°	109.5°
C29	C28	H18	108.8°	109.5°
C29	C28	H19	108.8°	109.4°
C18	C17	C16	119.8°	119.9°
C17	C18	C19	120.0°	120.1°
C18	C17	H9	120.1°	120.0°
C17	C18	H10	120.0°	120.0°
C17	C16	C15	119.4°	120.1°
C17	C16	C21	120.1°	119.8°
C16	C17	H9	120.1°	120.0°
C28	C27	C12	114.0°	109.5°
C28	C27	H16	108.3°	109.5°
C28	C27	H17	108.3°	109.4°
C27	C28	H18	108.8°	109.5°
C27	C28	H19	108.9°	109.4°
C14	C13	C12	107.8°	107.8°
C13	C14	C15	107.6°	107.4°
C14	C13	H7	126.1°	126.2°
C13	C14	H8	126.2°	126.3°
C13	C12	C27	126.0°	125.8°
C13	C12	N11	107.3°	108.5°
C12	C13	H7	126.1°	126.1°
C14	C15	C16	125.6°	126.1°
C14	C15	N11	107.6°	107.9°
C15	C14	H8	126.2°	126.3°
C18	C19	N22	120.3°	119.9°
C18	C19	C20	120.3°	120.1°
C19	C18	H10	120.0°	119.9°
C27	C12	N11	126.7°	125.8°
C12	C27	H16	108.3°	109.5°
C12	C27	H17	108.3°	109.4°
C12	N11	C15	109.7°	108.5°
C12	N11	C03	124.8°	125.7°
C16	C15	N11	126.8°	126.0°
C15	C16	C21	120.6°	120.0°
C15	N11	C03	125.5°	125.8°
C05	C04	C03	120.4°	120.1°
C04	C05	C06	119.9°	119.9°
C05	C04	H4	119.8°	119.9°
C04	C05	H5	120.1°	120.1°
C04	C03	N11	118.2°	120.0°
C04	C03	C02	119.8°	120.1°
C03	C04	H4	119.8°	119.9°
C16	C21	C20	120.3°	119.9°
C16	C21	H12	119.8°	120.0°
N25	C26	N22	108.1°	108.5°
C26	N25	C24	107.6°	109.3°
N25	C26	H15	125.9°	125.7°
C26	N22	C19	125.9°	126.4°
C26	N22	C23	108.4°	107.1°
N22	C26	H15	126.0°	125.8°
N11	C03	C02	122.0°	119.9°
N22	C19	C20	119.4°	119.9°
C19	N22	C23	125.7°	126.5°
C19	C20	C21	119.5°	120.1°
C19	C20	H11	120.2°	120.0°
N25	C24	C23	108.1°	108.2°
N25	C24	H14	125.9°	125.9°
C05	C06	C08	119.9°	120.1°
C05	C06	C07	120.0°	119.8°
C06	C05	H5	120.1°	120.0°
N22	C23	C24	107.7°	106.8°
N22	C23	H13	126.1°	126.5°
C03	C02	C07	119.7°	120.1°
C03	C02	C01	121.4°	120.0°
C21	C20	H11	120.2°	119.9°
C20	C21	H12	119.9°	120.1°
C24	C23	H13	126.1°	126.6°
C23	C24	H14	126.0°	125.9°
N10	C08	C06	119.8°	120.0°
N10	C08	O09	120.3°	120.0°
C08	N10	H24	120.0°	120.0°
C08	N10	H25	120.0°	120.0°
C08	C06	C07	120.0°	120.1°
C06	C08	O09	119.9°	120.0°
C06	C07	C02	120.2°	119.9°
C06	C07	H6	119.9°	120.0°
C07	C02	C01	119.0°	120.0°
C02	C07	H6	119.9°	120.0°
C02	C01	H1	109.5°	109.4°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
H1	C01	H2	109.5°	109.4°
H1	C01	H3	109.4°	109.5°
H2	C01	H3	109.4°	109.5°
H16	C27	H17	109.5°	109.5°
H18	C28	H19	109.5°	109.5°
H20	C32	H21	109.5°	109.1°
H22	C33	H23	109.5°	110.6°
H24	N10	H25	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	C33	S34	H22	119.4°	118.6°
C32	C33	S34	H23	119.4°	118.7°
C33	C32	N31	H20	119.5°	120.5°
C33	C32	N31	H21	119.5°	120.5°
C32	C33	S34	C35	24.9°	0.0°
C33	C32	N31	C35	18.7°	0.1°
C33	C32	N31	C29	161.3°	180.0°
C33	C32	H20	H21	121.4°	118.9°
C32	C33	H22	H23	121.9°	122.7°
S34	C33	C32	N31	4.2°	0.0°
C33	S34	C35	N31	37.1°	0.0°
C33	S34	C35	O36	142.3°	180.0°
S34	C33	C32	H20	123.7°	120.6°
S34	C33	C32	H21	115.4°	120.5°
S34	C33	H22	H23	121.9°	122.7°
C32	N31	C35	S34	35.4°	0.0°
C32	N31	C35	C29	180.0°	180.0°
C32	N31	C35	O36	144.0°	179.9°
C32	N31	C29	O30	0.1°	0.0°
C32	N31	C29	C28	180.0°	180.0°
N31	C32	H20	H21	121.4°	119.0°
N31	C32	C33	H22	123.5°	118.6°
N31	C32	C33	H23	115.2°	118.6°
S34	C35	N31	O36	179.4°	180.0°
S34	C35	N31	C29	144.6°	180.0°
C35	S34	C33	H22	144.3°	118.6°
C35	S34	C33	H23	94.4°	118.7°
C35	N31	C29	O30	179.9°	180.0°
C35	N31	C29	C28	0.0°	0.0°
C35	N31	C32	H20	100.8°	120.6°
C35	N31	C32	H21	138.2°	120.4°
C29	N31	C35	O36	36.0°	0.0°
N31	C29	O30	C28	179.9°	180.0°
N31	C29	C28	C27	144.1°	180.0°
N31	C29	C28	H18	95.5°	59.9°
N31	C29	C28	H19	23.8°	60.0°
C29	N31	C32	H20	79.2°	59.4°
C29	N31	C32	H21	41.8°	59.6°
O30	C29	C28	C27	35.9°	0.0°
O30	C29	C28	H18	84.4°	120.0°
O30	C29	C28	H19	156.3°	120.0°
C29	C28	C27	H18	120.4°	120.0°
C29	C28	C27	H19	120.4°	119.9°
C29	C28	C27	C12	67.2°	NaN°
C29	C28	C27	H16	53.4°	59.9°
C29	C28	C27	H17	172.1°	60.1°
C29	C28	H18	H19	118.8°	120.0°
C18	C17	C16	H9	180.0°	180.0°
C17	C18	C19	H10	180.0°	179.9°
C18	C17	C16	C15	180.0°	180.0°
C18	C17	C16	C21	0.1°	0.2°
C17	C18	C19	N22	179.9°	180.0°
C17	C18	C19	C20	0.0°	0.0°
C17	C16	C15	C14	43.7°	174.8°
C16	C17	C18	C19	0.0°	0.0°
C17	C16	C15	C21	180.0°	179.8°
C17	C16	C15	N11	136.5°	4.9°
C17	C16	C21	C20	0.2°	0.5°
C16	C17	C18	H10	180.0°	179.9°
C17	C16	C21	H12	179.8°	179.8°
C28	C27	C12	C13	115.1°	84.6°
C28	C27	C12	H16	120.7°	120.1°
C28	C27	C12	H17	120.7°	119.9°
C28	C27	C12	N11	66.9°	95.0°
C28	C27	H16	H17	117.9°	120.0°
C27	C28	H18	H19	118.9°	120.0°
C14	C13	C12	H7	180.0°	180.0°
C13	C14	C15	H8	180.0°	179.9°
C14	C13	C12	C27	179.3°	180.0°
C14	C13	C12	N11	1.0°	0.3°
C13	C14	C15	C16	179.8°	180.0°
C13	C14	C15	N11	0.4°	0.2°
C12	C13	C14	C15	0.4°	0.0°
C13	C12	C27	N11	178.0°	179.7°
C13	C12	N11	C15	1.3°	0.5°
C13	C12	N11	C03	179.5°	179.7°
C12	C13	C14	H8	179.6°	180.0°
C13	C12	C27	H16	5.5°	155.3°
C13	C12	C27	H17	124.2°	35.3°
C14	C15	N11	C12	1.1°	0.4°
C14	C15	C16	N11	179.8°	179.7°
C14	C15	C16	C21	136.3°	5.0°
C14	C15	N11	C03	179.2°	179.7°
C15	C14	C13	H7	179.6°	180.0°
C18	C19	N22	C26	66.0°	0.0°
C18	C19	N22	C20	179.9°	180.0°
C18	C19	N22	C23	114.4°	180.0°
C18	C19	C20	C21	0.1°	0.3°
C19	C18	C17	H9	180.0°	180.0°
C18	C19	C20	H11	179.9°	179.9°
C27	C12	N11	C15	179.6°	179.8°
C27	C12	N11	C03	2.3°	0.0°
C27	C12	C13	H7	0.7°	0.0°
C12	C27	H16	H17	118.0°	120.0°
C12	C27	C28	H18	172.4°	60.0°
C12	C27	C28	H19	53.1°	60.1°
C12	N11	C15	C16	179.1°	179.8°
C12	N11	C15	C03	178.1°	179.8°
C12	N11	C03	C04	104.2°	90.0°
C12	N11	C03	C02	75.8°	90.0°
N11	C12	C13	H7	179.0°	179.7°
N11	C12	C27	H16	172.4°	25.0°
N11	C12	C27	H17	53.8°	145.0°
C16	C15	N11	C03	1.0°	0.0°
C15	C16	C21	C20	179.9°	179.7°
C16	C15	C14	H8	0.2°	0.0°
C15	C16	C17	H9	0.0°	0.0°
C15	C16	C21	H12	0.1°	0.0°
C15	N11	C03	C04	73.7°	90.2°
N11	C15	C16	C21	43.5°	175.3°
C15	N11	C03	C02	106.3°	89.8°
N11	C15	C14	H8	179.6°	179.7°
C05	C04	C03	H4	180.0°	179.9°
C05	C04	C03	N11	179.8°	180.0°
C04	C05	C06	H5	180.0°	180.0°
C05	C04	C03	C02	0.3°	0.0°
C04	C05	C06	C08	179.6°	180.0°
C04	C05	C06	C07	0.2°	0.1°
C04	C03	N11	C02	179.9°	180.0°
C03	C04	C05	C06	0.4°	0.1°
C04	C03	C02	C07	0.1°	0.0°
C04	C03	C02	C01	179.7°	179.8°
C03	C04	C05	H5	179.6°	179.9°
C16	C21	C20	C19	0.2°	0.5°
C16	C21	C20	H12	180.0°	179.8°
C21	C16	C17	H9	179.9°	179.8°
C16	C21	C20	H11	179.8°	179.7°
N25	C26	N22	H15	180.0°	180.0°
N25	C26	N22	C19	179.7°	179.9°
N25	C26	N22	C23	0.0°	0.1°
C26	N25	C24	C23	0.0°	0.2°
C26	N25	C24	H14	180.0°	179.9°
C26	N22	C19	C23	179.6°	180.0°
C26	N22	C19	C20	114.1°	180.0°
N22	C26	N25	C24	0.0°	0.0°
C26	N22	C23	C24	0.0°	0.2°
C26	N22	C23	H13	179.9°	179.9°
N11	C03	C02	C07	179.9°	180.0°
N11	C03	C02	C01	0.2°	0.2°
N11	C03	C04	H4	0.2°	0.1°
N22	C19	C20	C21	179.9°	179.8°
C19	N22	C23	C24	179.7°	179.7°
N22	C19	C18	H10	0.0°	0.1°
N22	C19	C20	H11	0.2°	0.0°
C19	N22	C23	H13	0.2°	0.0°
C19	N22	C26	H15	0.3°	0.1°
C20	C19	N22	C23	65.5°	0.0°
C19	C20	C21	H11	180.0°	179.8°
C20	C19	C18	H10	180.0°	179.9°
C19	C20	C21	H12	179.8°	179.7°
N25	C24	C23	N22	0.0°	0.3°
N25	C24	C23	H14	180.0°	179.9°
N25	C24	C23	H13	179.9°	180.0°
C24	N25	C26	H15	180.0°	179.9°
C05	C06	C08	N10	0.7°	0.0°
C05	C06	C08	C07	179.3°	180.0°
C05	C06	C07	C02	0.1°	0.0°
C05	C06	C08	O09	178.3°	180.0°
C06	C05	C04	H4	179.7°	180.0°
C05	C06	C07	H6	180.0°	179.7°
N22	C23	C24	H13	180.0°	179.7°
N22	C23	C24	H14	180.0°	179.8°
C23	N22	C26	H15	180.0°	179.9°
C03	C02	C07	C06	0.0°	0.0°
C03	C02	C07	C01	179.9°	179.7°
C03	C02	C01	H1	90.0°	89.7°
C03	C02	C01	H2	149.9°	30.2°
C03	C02	C01	H3	29.9°	150.3°
C02	C03	C04	H4	179.7°	179.9°
C03	C02	C07	H6	180.0°	179.7°
N10	C08	C06	O09	179.1°	180.0°
N10	C08	C06	C07	179.9°	180.0°
C08	N10	H24	H25	180.0°	180.0°
C08	C06	C07	C02	179.4°	180.0°
C08	C06	C05	H5	0.4°	0.0°
C08	C06	C07	H6	0.6°	0.3°
C06	C08	N10	H24	179.1°	0.0°
C06	C08	N10	H25	1.0°	180.0°
C06	C07	C02	H6	180.0°	179.7°
C06	C07	C02	C01	179.9°	179.8°
C07	C06	C08	O09	1.0°	0.1°
C07	C06	C05	H5	179.8°	179.9°
C07	C02	C01	H1	90.1°	90.0°
C07	C02	C01	H2	30.0°	150.0°
C07	C02	C01	H3	149.9°	30.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C07	H6	0.1°	0.0°
O09	C08	N10	H24	0.0°	180.0°
O09	C08	N10	H25	180.0°	0.0°
H1	C01	H2	H3	119.9°	120.0°
H4	C04	C05	H5	0.3°	0.0°
H7	C13	C14	H8	0.4°	0.1°
H9	C17	C18	H10	0.1°	0.1°
H11	C20	C21	H12	0.2°	0.1°
H13	C23	C24	H14	0.1°	0.1°
H16	C27	C28	H18	66.9°	180.0°
H16	C27	C28	H19	173.8°	60.0°
H17	C27	C28	H18	51.7°	60.0°
H17	C27	C28	H19	67.5°	180.0°
H20	C32	C33	H22	117.0°	120.8°
H20	C32	C33	H23	4.3°	1.9°
H21	C32	C33	H22	4.0°	1.9°
H21	C32	C33	H23	125.3°	120.9°

Release date:	2023-09-20
Definition date:	2022-09-22
Last modified:	2023-09-15
Release status:	REL
Processing site:	RCSB
Derived from:	8GV3