4RK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.54Å
C02	C03	sing	1.51Å	1.54Å
C03	C08	doub	1.38Å	1.41Å	Aromatic
C03	C04	sing	1.38Å	1.40Å	Aromatic
C08	C07	sing	1.38Å	1.39Å	Aromatic
C04	C05	doub	1.38Å	1.39Å	Aromatic
C07	C06	doub	1.40Å	1.40Å	Aromatic
C30	N29	doub	1.32Å	1.33Å	Aromatic
C30	C31	sing	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.40Å	1.39Å	Aromatic
N29	C16	sing	1.32Å	1.34Å	Aromatic
C06	N09	sing	1.37Å	1.39Å
C31	C14	doub	1.40Å	1.42Å	Aromatic
C16	N17	sing	1.39Å	1.42Å
C16	C15	doub	1.39Å	1.40Å	Aromatic
S11	C10	sing	1.77Å	1.65Å
S11	C12	sing	1.77Å	1.58Å
N09	C10	doub	1.31Å	1.32Å
N17	C18	sing	1.40Å	1.43Å
C14	C15	sing	1.40Å	1.41Å	Aromatic
C14	C13	sing	1.47Å	1.50Å
C10	N34	sing	1.37Å	1.49Å
C12	C13	doub	1.36Å	1.39Å
C12	C32	sing	1.47Å	1.54Å
C18	C23	doub	1.39Å	1.41Å	Aromatic
C18	C19	sing	1.39Å	1.37Å	Aromatic
C23	C22	sing	1.38Å	1.38Å	Aromatic
N34	C32	sing	1.32Å	1.61Å
N34	C35	sing	1.46Å	1.44Å
C32	O33	doub	1.22Å	1.22Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C22	C21	doub	1.40Å	1.37Å	Aromatic
C20	C21	sing	1.40Å	1.40Å	Aromatic
C21	C24	sing	1.48Å	1.53Å
C24	N28	doub	1.32Å	1.34Å	Aromatic
C24	N25	sing	1.36Å	1.34Å	Aromatic
N28	N27	sing	1.28Å	1.35Å	Aromatic
N25	N26	sing	1.41Å	1.34Å	Aromatic
N27	N26	doub	1.29Å	1.34Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
N17	H12	sing	0.97Å	1.00Å
C19	H13	sing	1.08Å	1.08Å
C20	H14	sing	1.08Å	1.08Å
C22	H15	sing	1.08Å	1.08Å
C23	H16	sing	1.08Å	1.08Å
N25	H17	sing	0.97Å	1.00Å
C30	H18	sing	1.08Å	1.08Å
C31	H19	sing	1.08Å	1.08Å
C35	H20	sing	1.09Å	1.10Å
C35	H21	sing	1.09Å	1.10Å
C35	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	114.9°	109.5°
C02	C01	H1	109.5°	109.4°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.5°	109.5°
C01	C02	H4	108.1°	109.5°
C01	C02	H5	108.1°	109.5°
C02	C03	C08	123.7°	119.8°
C02	C03	C04	116.2°	119.8°
C03	C02	H4	108.1°	109.5°
C03	C02	H5	108.1°	109.4°
C08	C03	C04	120.1°	120.4°
C03	C08	C07	119.9°	120.1°
C03	C08	H9	120.0°	120.0°
C03	C04	C05	119.8°	120.1°
C03	C04	H6	120.1°	120.0°
C08	C07	C06	119.3°	119.8°
C08	C07	H8	120.4°	120.1°
C07	C08	H9	120.0°	119.9°
C04	C05	C06	120.2°	119.9°
C05	C04	H6	120.1°	119.9°
C04	C05	H7	119.9°	120.1°
C07	C06	C05	120.8°	119.7°
C07	C06	N09	123.2°	120.1°
C06	C07	H8	120.3°	120.1°
N29	C30	C31	120.8°	121.0°
C30	N29	C16	123.7°	122.0°
N29	C30	H18	119.6°	119.5°
C30	C31	C14	118.5°	119.1°
C31	C30	H18	119.6°	119.5°
C30	C31	H19	120.7°	120.5°
C05	C06	N09	116.0°	120.2°
C06	C05	H7	119.9°	120.1°
N29	C16	N17	117.0°	119.6°
N29	C16	C15	118.7°	120.8°
C06	N09	C10	124.0°	120.0°
C31	C14	C15	118.0°	118.2°
C31	C14	C13	125.5°	120.9°
C14	C31	H19	120.7°	120.4°
N17	C16	C15	124.3°	119.6°
C16	N17	C18	127.7°	120.0°
C16	N17	H12	116.2°	120.0°
C16	C15	C14	120.3°	118.9°
C16	C15	H11	119.8°	120.5°
C10	S11	C12	105.3°	94.8°
S11	C10	N09	130.7°	126.6°
S11	C10	N34	109.6°	106.8°
S11	C12	C13	133.2°	127.7°
S11	C12	C32	108.1°	104.5°
N09	C10	N34	119.7°	126.6°
N17	C18	C23	116.3°	119.9°
N17	C18	C19	125.2°	119.9°
C18	N17	H12	116.2°	120.0°
C15	C14	C13	116.5°	120.9°
C14	C15	H11	119.8°	120.6°
C14	C13	C12	128.3°	120.0°
C14	C13	H10	115.8°	120.0°
C10	N34	C32	107.8°	118.7°
C10	N34	C35	126.1°	120.6°
C13	C12	C32	118.7°	127.8°
C12	C13	H10	115.9°	120.0°
C12	C32	N34	109.2°	115.2°
C12	C32	O33	126.0°	122.4°
C23	C18	C19	118.4°	120.2°
C18	C23	C22	120.8°	120.0°
C18	C23	H16	119.6°	120.0°
C18	C19	C20	120.7°	120.1°
C18	C19	H13	119.6°	120.0°
C23	C22	C21	120.6°	120.0°
C23	C22	H15	119.7°	120.0°
C22	C23	H16	119.5°	120.0°
C32	N34	C35	126.1°	120.6°
N34	C32	O33	124.8°	122.4°
N34	C35	H20	109.5°	109.5°
N34	C35	H21	109.5°	109.5°
N34	C35	H22	109.4°	109.5°
C19	C20	C21	120.3°	119.9°
C20	C19	H13	119.7°	120.0°
C19	C20	H14	119.8°	120.1°
C22	C21	C20	119.1°	119.9°
C22	C21	C24	120.2°	120.1°
C21	C22	H15	119.7°	120.1°
C20	C21	C24	120.8°	120.0°
C21	C20	H14	119.9°	120.0°
C21	C24	N28	126.9°	126.5°
C21	C24	N25	125.9°	126.5°
N28	C24	N25	107.2°	107.0°
C24	N28	N27	108.1°	110.5°
C24	N25	N26	109.0°	105.2°
C24	N25	H17	125.5°	127.4°
N28	N27	N26	108.0°	110.4°
N25	N26	N27	107.7°	106.9°
N26	N25	H17	125.5°	127.4°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.4°
H4	C02	H5	109.5°	109.4°
H20	C35	H21	109.4°	109.4°
H20	C35	H22	109.5°	109.4°
H21	C35	H22	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	H4	120.8°	120.0°
C01	C02	C03	H5	120.8°	120.1°
C01	C02	C03	C08	30.8°	90.0°
C01	C02	C03	C04	149.9°	89.7°
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	H4	H5	117.5°	120.0°
C02	C03	C08	C04	179.3°	179.7°
C02	C03	C08	C07	179.9°	179.8°
C02	C03	C04	C05	179.8°	180.0°
C03	C02	C01	H1	180.0°	60.0°
C03	C02	C01	H2	60.0°	60.0°
C03	C02	C01	H3	60.0°	180.0°
C03	C02	H4	H5	117.6°	119.9°
C02	C03	C04	H6	0.2°	0.1°
C02	C03	C08	H9	0.2°	0.1°
C03	C08	C07	H9	180.0°	179.7°
C08	C03	C04	C05	0.5°	0.3°
C03	C08	C07	C06	0.1°	0.5°
C08	C03	C02	H4	151.5°	30.1°
C08	C03	C02	H5	90.0°	150.0°
C08	C03	C04	H6	179.5°	179.8°
C03	C08	C07	H8	179.9°	179.8°
C04	C03	C08	C07	0.8°	0.5°
C03	C04	C05	H6	180.0°	179.9°
C03	C04	C05	C06	0.5°	0.0°
C04	C03	C02	H4	29.1°	150.2°
C04	C03	C02	H5	89.3°	30.3°
C03	C04	C05	H7	179.5°	180.0°
C04	C03	C08	H9	179.2°	179.8°
C08	C07	C06	H8	180.0°	179.7°
C08	C07	C06	C05	0.9°	0.2°
C08	C07	C06	N09	178.3°	179.7°
C04	C05	C06	C07	1.2°	0.0°
C04	C05	C06	H7	180.0°	180.0°
C04	C05	C06	N09	178.8°	180.0°
C07	C06	C05	N09	177.6°	180.0°
C07	C06	N09	C10	112.0°	45.0°
C07	C06	C05	H7	178.8°	180.0°
C06	C07	C08	H9	179.8°	179.8°
N29	C30	C31	H18	180.0°	179.7°
N29	C30	C31	C14	0.5°	0.5°
C30	N29	C16	N17	179.6°	179.9°
C30	N29	C16	C15	0.2°	0.0°
N29	C30	C31	H19	179.5°	179.9°
C31	C30	N29	C16	0.2°	0.3°
C30	C31	C14	H19	180.0°	179.6°
C30	C31	C14	C15	1.1°	0.5°
C30	C31	C14	C13	179.2°	179.8°
C05	C06	N09	C10	70.4°	135.0°
C06	C05	C04	H6	179.5°	180.0°
C05	C06	C07	H8	179.1°	180.0°
N29	C16	N17	C15	179.3°	180.0°
N29	C16	N17	C18	173.6°	5.5°
N29	C16	C15	C14	0.4°	0.0°
N29	C16	C15	H11	179.7°	180.0°
N29	C16	N17	H12	6.4°	174.4°
C16	N29	C30	H18	179.8°	180.0°
C06	N09	C10	S11	3.0°	0.4°
C06	N09	C10	N34	178.0°	179.9°
N09	C06	C05	H7	1.2°	0.0°
N09	C06	C07	H8	1.7°	0.0°
C31	C14	C15	C16	1.0°	0.2°
C31	C14	C15	C13	178.3°	179.7°
C31	C14	C13	C12	25.6°	18.9°
C31	C14	C13	H10	154.4°	161.1°
C31	C14	C15	H11	179.0°	179.7°
C14	C31	C30	H18	179.5°	179.8°
C16	N17	C18	H12	180.0°	179.9°
N17	C16	C15	C14	179.0°	180.0°
C16	N17	C18	C23	146.7°	146.9°
C16	N17	C18	C19	35.7°	33.4°
N17	C16	C15	H11	1.0°	0.1°
C15	C16	N17	C18	7.0°	174.4°
C16	C15	C14	H11	180.0°	180.0°
C16	C15	C14	C13	179.3°	179.9°
C15	C16	N17	H12	173.0°	5.7°
S11	C10	N09	N34	179.0°	179.6°
C10	S11	C12	C13	178.9°	180.0°
C10	S11	C12	C32	0.3°	0.1°
S11	C10	N34	C32	0.1°	0.5°
S11	C10	N34	C35	179.9°	179.8°
C12	S11	C10	N09	179.2°	179.9°
S11	C12	C13	C14	11.5°	7.6°
C12	S11	C10	N34	0.1°	0.3°
S11	C12	C13	C32	178.5°	179.9°
S11	C12	C32	N34	0.4°	0.2°
S11	C12	C32	O33	179.9°	180.0°
S11	C12	C13	H10	168.5°	172.4°
N09	C10	N34	C32	179.1°	179.9°
N09	C10	N34	C35	0.9°	0.1°
N17	C18	C23	C19	177.8°	179.7°
N17	C18	C23	C22	179.2°	179.7°
N17	C18	C19	C20	178.8°	180.0°
N17	C18	C19	H13	1.2°	0.0°
N17	C18	C23	H16	0.8°	0.0°
C15	C14	C13	C12	156.2°	161.5°
C15	C14	C13	H10	23.8°	18.6°
C15	C14	C31	H19	179.0°	180.0°
C14	C13	C12	H10	180.0°	180.0°
C14	C13	C12	C32	170.0°	172.5°
C13	C14	C15	H11	0.7°	0.0°
C13	C14	C31	H19	0.8°	0.3°
C10	N34	C32	C12	0.3°	0.5°
C10	N34	C32	C35	180.0°	179.7°
C10	N34	C32	O33	180.0°	179.7°
C10	N34	C35	H20	180.0°	89.9°
C10	N34	C35	H21	60.0°	150.1°
C10	N34	C35	H22	60.0°	30.0°
C13	C12	C32	N34	179.2°	179.7°
C13	C12	C32	O33	1.1°	0.1°
C12	C32	N34	O33	179.7°	179.8°
C12	C32	N34	C35	179.8°	179.8°
C32	C12	C13	H10	10.0°	7.5°
C18	C23	C22	H16	180.0°	179.7°
C23	C18	C19	C20	1.3°	0.3°
C18	C23	C22	C21	0.7°	0.6°
C23	C18	N17	H12	33.3°	33.0°
C23	C18	C19	H13	178.8°	179.7°
C18	C23	C22	H15	179.4°	179.7°
C19	C18	C23	C22	1.4°	0.6°
C18	C19	C20	H13	180.0°	180.0°
C18	C19	C20	C21	0.3°	0.1°
C19	C18	N17	H12	144.3°	146.7°
C18	C19	C20	H14	179.7°	180.0°
C19	C18	C23	H16	178.5°	179.7°
C23	C22	C21	H15	180.0°	179.6°
C23	C22	C21	C20	0.3°	0.4°
C23	C22	C21	C24	179.6°	179.8°
C32	N34	C35	H20	0.1°	89.8°
C32	N34	C35	H21	120.0°	30.2°
C32	N34	C35	H22	120.0°	150.3°
C35	N34	C32	O33	0.0°	0.1°
N34	C35	H20	H21	120.0°	120.0°
N34	C35	H20	H22	120.0°	120.0°
N34	C35	H21	H22	120.0°	120.1°
C19	C20	C21	C22	0.5°	0.1°
C19	C20	C21	H14	180.0°	179.9°
C19	C20	C21	C24	179.8°	180.0°
C22	C21	C20	C24	179.3°	179.9°
C22	C21	C24	N28	2.8°	180.0°
C22	C21	C24	N25	176.2°	0.1°
C22	C21	C20	H14	179.5°	180.0°
C21	C22	C23	H16	179.3°	179.7°
C20	C21	C24	N28	177.9°	0.1°
C20	C21	C24	N25	3.1°	179.7°
C21	C20	C19	H13	179.7°	179.9°
C20	C21	C22	H15	179.7°	180.0°
C21	C24	N28	N25	179.2°	179.8°
C21	C24	N28	N27	179.6°	179.8°
C21	C24	N25	N26	179.4°	180.0°
C24	C21	C20	H14	0.2°	0.1°
C24	C21	C22	H15	0.4°	0.1°
C21	C24	N25	H17	0.5°	0.0°
N28	C24	N25	N26	0.3°	0.2°
C24	N28	N27	N26	0.4°	0.4°
N28	C24	N25	H17	179.7°	179.8°
N25	C24	N28	N27	0.4°	0.4°
C24	N25	N26	H17	180.0°	180.0°
C24	N25	N26	N27	0.0°	0.0°
N28	N27	N26	N25	0.2°	0.3°
N27	N26	N25	H17	180.0°	180.0°
H1	C01	H2	H3	120.0°	120.0°
H1	C01	C02	H4	59.2°	60.0°
H1	C01	C02	H5	59.2°	180.0°
H2	C01	C02	H4	60.8°	180.0°
H2	C01	C02	H5	179.2°	60.0°
H3	C01	C02	H4	179.2°	60.0°
H3	C01	C02	H5	60.8°	59.9°
H6	C04	C05	H7	0.5°	0.1°
H8	C07	C08	H9	0.2°	0.1°
H13	C19	C20	H14	0.3°	0.0°
H15	C22	C23	H16	0.7°	0.0°
H18	C30	C31	H19	0.5°	0.3°
H20	C35	H21	H22	120.0°	119.9°

Release date:	2016-07-20
Definition date:	2015-05-15
Last modified:	2016-07-15
Release status:	REL
Processing site:	EBI
Derived from:	4ZTS