CYZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.56Å	1.57Å
C1	C6	sing	1.55Å	1.55Å
C1	C8	sing	1.53Å	1.45Å
C1	H11A	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.56Å
C2	C7	sing	1.57Å	1.52Å
C2	H21	sing	1.09Å	1.12Å
C3	C4	doub	1.35Å	1.36Å
C3	H31A	sing	1.08Å	1.10Å
C4	C5	sing	1.53Å	1.53Å
C4	H41	sing	1.08Å	1.10Å
C5	C6	sing	1.56Å	1.57Å
C5	C7	sing	1.57Å	1.54Å
C5	H51	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.11Å
C8	N1	sing	1.48Å	1.35Å
C8	N2	sing	1.46Å	1.38Å
C8	H81	sing	1.09Å	1.12Å
N1	S1	sing	1.67Å	1.68Å
N1	HN1	sing	0.97Å	1.02Å
S1	C9	sing	1.77Å	1.76Å
S1	O1	doub	1.42Å	1.48Å
S1	O2	doub	1.42Å	1.47Å
C9	C10	doub	1.39Å	1.54Å	Aromatic
C9	C11	sing	1.38Å	1.52Å	Aromatic
C10	N2	sing	1.39Å	1.35Å
C10	C14	sing	1.39Å	1.53Å	Aromatic
N2	HN2	sing	0.97Å	1.02Å
C11	C12	doub	1.38Å	1.53Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	C13	sing	1.38Å	1.55Å	Aromatic
C12	S2	sing	1.76Å	1.79Å
C13	C14	doub	1.38Å	1.54Å	Aromatic
C13	CL	sing	1.74Å	1.71Å
C14	H14	sing	1.08Å	1.10Å
S2	O3	doub	1.42Å	1.47Å
S2	O4	doub	1.42Å	1.47Å
S2	N3	sing	1.66Å	1.69Å
N3	H31	sing	0.97Å	1.02Å
N3	H32	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	100.8°	103.8°
C2	C1	C8	113.6°	110.6°
C2	C1	H11A	115.9°	110.6°
C1	C2	C3	107.3°	104.0°
C1	C2	C7	104.9°	100.4°
C1	C2	H21	112.4°	117.1°
C6	C1	C8	117.7°	110.6°
C6	C1	H11A	111.5°	110.5°
C1	C6	C5	99.2°	103.7°
C1	C6	H61	116.2°	110.6°
C1	C6	H62	116.2°	110.6°
C8	C1	H11A	98.2°	110.5°
C1	C8	N1	121.2°	109.7°
C1	C8	N2	115.4°	109.6°
C1	C8	H81	93.5°	109.6°
C3	C2	C7	105.0°	99.8°
C3	C2	H21	112.2°	116.4°
C2	C3	C4	104.0°	108.6°
C2	C3	H31A	132.8°	125.8°
C7	C2	H21	114.4°	116.6°
C2	C7	C5	86.2°	93.4°
C2	C7	H71	121.6°	112.4°
C2	C7	H72	121.7°	112.5°
C4	C3	H31A	123.2°	125.5°
C3	C4	C5	103.4°	107.3°
C3	C4	H41	124.1°	125.8°
C5	C4	H41	132.5°	127.0°
C4	C5	C6	106.9°	104.1°
C4	C5	C7	105.8°	100.6°
C4	C5	H51	112.3°	116.3°
C6	C5	C7	106.0°	100.4°
C6	C5	H51	112.1°	116.2°
C5	C6	H61	116.2°	110.6°
C5	C6	H62	116.2°	110.5°
C7	C5	H51	113.2°	116.6°
C5	C7	H71	121.7°	112.6°
C5	C7	H72	121.6°	112.6°
H61	C6	H62	94.2°	110.6°
H71	C7	H72	88.1°	112.1°
N1	C8	N2	100.4°	108.7°
N1	C8	H81	110.4°	109.6°
C8	N1	S1	131.0°	115.8°
C8	N1	HN1	104.7°	122.0°
N2	C8	H81	117.0°	109.6°
C8	N2	C10	129.6°	123.5°
C8	N2	HN2	105.2°	118.3°
S1	N1	HN1	104.8°	122.1°
N1	S1	C9	90.9°	104.9°
N1	S1	O1	111.4°	106.1°
N1	S1	O2	118.9°	106.2°
C9	S1	O1	108.8°	106.1°
C9	S1	O2	112.4°	106.2°
S1	C9	C10	117.1°	119.5°
S1	C9	C11	117.9°	119.9°
O1	S1	O2	112.3°	125.7°
C10	C9	C11	124.9°	120.6°
C9	C10	N2	121.9°	122.1°
C9	C10	C14	118.3°	119.1°
C9	C11	C12	116.9°	120.0°
C9	C11	H11	121.4°	120.0°
N2	C10	C14	119.8°	118.8°
C10	N2	HN2	105.2°	118.2°
C10	C14	C13	117.7°	120.2°
C10	C14	H14	120.8°	119.9°
C12	C11	H11	121.8°	120.0°
C11	C12	C13	119.5°	119.9°
C11	C12	S2	113.2°	120.1°
C13	C12	S2	127.3°	120.1°
C12	C13	C14	122.7°	120.3°
C12	C13	CL	122.3°	119.9°
C12	S2	O3	108.5°	105.8°
C12	S2	O4	105.4°	105.8°
C12	S2	N3	97.4°	107.4°
C14	C13	CL	115.0°	119.8°
C13	C14	H14	121.5°	119.9°
O3	S2	O4	112.5°	125.3°
O3	S2	N3	109.3°	105.7°
O4	S2	N3	121.9°	105.8°
S2	N3	H31	116.9°	120.0°
S2	N3	H32	97.4°	120.0°
H31	N3	H32	116.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C8	124.1°	118.6°
C2	C1	C6	H11A	123.5°	118.7°
C2	C1	C8	H11A	122.9°	122.9°
C1	C2	C3	C7	111.2°	103.4°
C1	C2	C3	H21	123.9°	130.3°
C1	C2	C7	H21	123.6°	127.5°
C1	C2	C3	C4	73.8°	69.8°
C1	C2	C3	H31A	106.2°	110.0°
C2	C1	C6	C5	1.6°	0.1°
C1	C2	C7	C5	59.8°	56.9°
C2	C1	C6	H61	123.7°	118.5°
C2	C1	C6	H62	126.9°	118.6°
C1	C2	C7	H71	65.5°	59.3°
C1	C2	C7	H72	175.0°	173.0°
C2	C1	C8	N1	60.2°	60.8°
C2	C1	C8	N2	178.4°	179.9°
C2	C1	C8	H81	56.3°	59.6°
C6	C1	C8	H11A	119.6°	122.7°
C6	C1	C2	C3	69.8°	66.8°
C6	C1	C2	C7	41.5°	36.2°
C6	C1	C2	H21	166.4°	163.4°
C1	C6	C5	C4	74.6°	67.5°
C1	C6	C5	H61	125.3°	118.6°
C1	C6	C5	H62	125.3°	118.6°
C1	C6	C5	C7	37.9°	36.3°
C1	C6	C5	H51	161.9°	163.1°
C1	C6	H61	H62	121.9°	123.0°
C6	C1	C8	N1	177.7°	175.2°
C6	C1	C8	N2	61.0°	65.5°
C6	C1	C8	H81	61.2°	54.8°
C8	C1	C2	C3	57.1°	51.8°
C8	C1	C2	C7	168.4°	154.8°
C8	C1	C2	H21	66.8°	78.1°
C8	C1	C6	C5	125.7°	118.5°
C8	C1	C6	H61	0.4°	122.9°
C8	C1	C6	H62	109.1°	0.0°
C1	C8	N1	N2	128.3°	119.8°
C1	C8	N1	H81	107.6°	120.4°
C1	C8	N2	H81	108.5°	120.3°
C1	C8	N1	S1	163.0°	61.7°
C1	C8	N1	HN1	37.8°	118.4°
C1	C8	N2	C10	158.3°	69.8°
C1	C8	N2	HN2	33.0°	110.2°
H11A	C1	C2	C3	169.7°	174.6°
H11A	C1	C2	C7	79.0°	82.4°
H11A	C1	C2	H21	45.9°	44.8°
H11A	C1	C6	C5	121.9°	118.7°
H11A	C1	C6	H61	112.8°	0.2°
H11A	C1	C6	H62	3.3°	122.7°
H11A	C1	C8	N1	62.7°	62.1°
H11A	C1	C8	N2	58.6°	57.2°
H11A	C1	C8	H81	179.2°	177.5°
C3	C2	C7	H21	123.5°	126.2°
C2	C3	C4	H31A	180.0°	179.9°
C2	C3	C4	C5	0.0°	0.4°
C2	C3	C4	H41	179.9°	180.0°
C3	C2	C7	C5	53.1°	49.4°
C3	C2	C7	H71	178.4°	165.6°
C3	C2	C7	H72	72.1°	66.7°
C7	C2	C3	C4	37.4°	33.5°
C7	C2	C3	H31A	142.6°	146.6°
C2	C7	C5	C4	54.0°	49.7°
C2	C7	C5	C6	59.3°	56.9°
C2	C7	C5	H71	125.2°	116.0°
C2	C7	C5	H72	125.2°	116.1°
C2	C7	C5	H51	177.4°	176.6°
C2	C7	H71	H72	126.6°	127.9°
H21	C2	C3	C4	162.3°	159.9°
H21	C2	C3	H31A	17.7°	20.3°
H21	C2	C7	C5	176.6°	175.6°
H21	C2	C7	H71	58.1°	68.2°
H21	C2	C7	H72	51.4°	59.5°
C3	C4	C5	H41	180.0°	179.7°
C3	C4	C5	C6	75.7°	70.6°
C3	C4	C5	C7	36.9°	33.1°
C3	C4	C5	H51	160.9°	160.1°
H31A	C3	C4	C5	179.9°	179.8°
H31A	C3	C4	H41	0.1°	0.1°
C4	C5	C6	C7	112.5°	103.9°
C4	C5	C6	H51	123.5°	129.4°
C4	C5	C7	H51	123.4°	126.8°
C4	C5	C6	H61	50.7°	173.9°
C4	C5	C6	H62	160.2°	51.0°
C4	C5	C7	H71	179.2°	165.7°
C4	C5	C7	H72	71.3°	66.4°
H41	C4	C5	C6	104.3°	109.7°
H41	C4	C5	C7	143.0°	146.6°
H41	C4	C5	H51	19.1°	19.6°
C6	C5	C7	H51	123.3°	126.5°
C5	C6	H61	H62	121.9°	122.8°
C6	C5	C7	H71	65.9°	59.1°
C6	C5	C7	H72	175.4°	173.0°
C7	C5	C6	H61	163.2°	82.2°
C7	C5	C6	H62	87.3°	154.9°
C5	C7	H71	H72	126.6°	128.1°
H51	C5	C6	H61	72.8°	44.5°
H51	C5	C6	H62	36.7°	78.3°
H51	C5	C7	H71	57.4°	67.4°
H51	C5	C7	H72	52.1°	60.4°
N1	C8	N2	H81	119.4°	119.8°
C8	N1	S1	HN1	125.3°	180.0°
C8	N1	S1	C9	64.3°	39.5°
C8	N1	S1	O1	46.4°	151.5°
C8	N1	S1	O2	179.4°	72.7°
N1	C8	N2	C10	26.2°	50.1°
N1	C8	N2	HN2	99.1°	129.9°
N2	C8	N1	S1	68.6°	58.2°
N2	C8	N1	HN1	166.1°	121.8°
C8	N2	C10	C9	0.6°	22.2°
C8	N2	C10	HN2	125.3°	179.9°
C8	N2	C10	C14	178.7°	158.3°
H81	C8	N1	S1	55.4°	177.9°
H81	C8	N1	HN1	69.9°	2.1°
H81	C8	N2	C10	93.2°	169.9°
H81	C8	N2	HN2	141.5°	10.1°
N1	S1	C9	O1	113.0°	112.1°
N1	S1	C9	O2	122.0°	112.1°
N1	S1	O1	O2	136.2°	124.4°
N1	S1	C9	C10	19.0°	10.7°
N1	S1	C9	C11	160.6°	170.0°
HN1	N1	S1	C9	170.5°	140.5°
HN1	N1	S1	O1	78.9°	28.4°
HN1	N1	S1	O2	54.1°	107.3°
C9	S1	O1	O2	125.1°	124.4°
S1	C9	C10	C11	179.6°	179.3°
S1	C9	C10	N2	0.4°	2.2°
S1	C9	C10	C14	179.8°	178.3°
S1	C9	C11	C12	179.7°	178.6°
S1	C9	C11	H11	0.3°	1.3°
O1	S1	C9	C10	94.0°	122.8°
O1	S1	C9	C11	86.4°	57.9°
O2	S1	C9	C10	141.0°	101.5°
O2	S1	C9	C11	38.6°	77.8°
C9	C10	N2	C14	179.4°	179.5°
C9	C10	N2	HN2	124.6°	157.8°
C10	C9	C11	C12	0.7°	0.7°
C10	C9	C11	H11	179.3°	179.4°
C9	C10	C14	C13	0.4°	0.4°
C9	C10	C14	H14	179.6°	179.3°
C11	C9	C10	N2	180.0°	178.6°
C11	C9	C10	C14	0.6°	1.0°
C9	C11	C12	H11	180.0°	180.0°
C9	C11	C12	C13	0.7°	0.3°
C9	C11	C12	S2	179.7°	180.0°
N2	C10	C14	C13	179.8°	179.2°
N2	C10	C14	H14	0.2°	1.1°
C14	C10	N2	HN2	56.0°	21.8°
C10	C14	C13	C12	0.4°	0.5°
C10	C14	C13	H14	180.0°	179.7°
C10	C14	C13	CL	179.7°	180.0°
C11	C12	C13	S2	179.5°	179.7°
C11	C12	C13	C14	0.6°	0.9°
C11	C12	C13	CL	179.8°	179.7°
C11	C12	S2	O3	22.1°	7.4°
C11	C12	S2	O4	142.8°	127.4°
C11	C12	S2	N3	91.1°	120.0°
H11	C11	C12	C13	179.3°	179.7°
H11	C11	C12	S2	0.3°	0.0°
C12	C13	C14	CL	179.3°	179.5°
C12	C13	C14	H14	179.6°	179.8°
C13	C12	S2	O3	157.5°	172.9°
C13	C12	S2	O4	36.8°	52.3°
C13	C12	S2	N3	89.3°	60.3°
S2	C12	C13	C14	179.9°	179.4°
S2	C12	C13	CL	0.6°	0.1°
C12	S2	O3	O4	116.2°	123.1°
C12	S2	O3	N3	105.1°	113.7°
C12	S2	O4	N3	109.2°	113.7°
C12	S2	N3	H31	54.7°	179.9°
C12	S2	N3	H32	180.0°	0.3°
CL	C13	C14	H14	0.3°	0.3°
O3	S2	O4	N3	132.8°	123.1°
O3	S2	N3	H31	167.3°	67.5°
O3	S2	N3	H32	67.4°	112.3°
O4	S2	N3	H31	58.6°	67.3°
O4	S2	N3	H32	66.7°	112.9°
S2	N3	H31	H32	114.8°	179.8°

Definition date:	2002-04-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1LBC