CYF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.36Å	1.23Å
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	C13	sing	1.39Å	1.39Å	Aromatic
O1	HO1	sing	0.97Å	0.95Å
C2	C3	sing	1.40Å	1.39Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
C3	O2	sing	1.34Å	1.44Å
C3	C11	doub	1.38Å	1.40Å	Aromatic
O2	C4	sing	1.34Å	1.39Å
C4	C5	doub	1.40Å	1.37Å	Aromatic
C4	C9	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	O3	sing	1.36Å	1.24Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
C7	C8	sing	1.38Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.38Å	1.37Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.51Å	1.38Å
C10	C11	sing	1.51Å	1.40Å
C10	C14	sing	1.51Å	1.41Å
C10	H10	sing	1.09Å	1.11Å
C11	C12	sing	1.38Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	H13	sing	1.08Å	1.10Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
C14	C19	sing	1.40Å	1.44Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	sing	1.38Å	1.39Å	Aromatic
C17	NL	sing	1.40Å	1.33Å
C18	C19	doub	1.39Å	1.41Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	C20	sing	1.48Å	1.39Å
C20	O4	doub	1.21Å	1.25Å
C20	O5	sing	1.35Å	1.26Å
O5	HO5	sing	0.97Å	0.95Å
NL	CL	sing	1.35Å	1.33Å
NL	HNL	sing	0.97Å	0.99Å
CL	OL	doub	1.21Å	1.23Å
CL	CAL	sing	1.51Å	1.49Å
CAL	SG	sing	1.81Å	1.77Å
CAL	HAL3	sing	1.09Å	1.12Å
CAL	HAL2	sing	1.09Å	1.11Å
SG	CB	sing	1.81Å	1.78Å
CB	CA	sing	1.53Å	1.51Å
CB	HB3	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CA	N	sing	1.47Å	1.44Å
CA	C	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.11Å
N	H	sing	1.01Å	0.98Å
N	H2	sing	1.01Å	1.02Å
O	C	doub	1.21Å	1.23Å
C	NT	sing	1.35Å	1.34Å
NT	HNT1	sing	0.97Å	0.98Å
NT	HNT2	sing	0.97Å	0.98Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	118.2°	120.0°
O1	C1	C13	121.7°	120.0°
C1	O1	HO1	118.2°	106.8°
C2	C1	C13	120.1°	120.1°
C1	C2	C3	120.2°	120.5°
C1	C2	HC2	119.5°	119.7°
C1	C13	C12	120.3°	119.6°
C1	C13	H13	120.1°	120.1°
C3	C2	HC2	120.3°	119.8°
C2	C3	O2	114.5°	118.0°
C2	C3	C11	120.5°	118.8°
O2	C3	C11	125.0°	123.2°
C3	O2	C4	110.5°	114.7°
C3	C11	C10	118.9°	120.0°
C3	C11	C12	118.8°	120.8°
O2	C4	C5	111.5°	118.0°
O2	C4	C9	127.3°	123.2°
C5	C4	C9	121.2°	118.9°
C4	C5	C6	119.3°	120.5°
C4	C5	H5	120.0°	119.8°
C4	C9	C8	119.2°	120.7°
C4	C9	C10	118.9°	120.1°
C6	C5	H5	120.7°	119.8°
C5	C6	O3	120.1°	120.0°
C5	C6	C7	119.8°	120.0°
O3	C6	C7	120.1°	120.0°
C6	O3	HO3	120.1°	106.8°
C6	C7	C8	120.2°	119.7°
C6	C7	H7	120.2°	120.1°
C8	C7	H7	119.6°	120.2°
C7	C8	C9	120.3°	120.3°
C7	C8	H8	120.3°	119.9°
C9	C8	H8	119.5°	119.8°
C8	C9	C10	121.9°	119.2°
C9	C10	C11	119.4°	108.1°
C9	C10	C14	121.4°	109.7°
C9	C10	H10	83.7°	109.8°
C11	C10	C14	118.9°	109.7°
C11	C10	H10	104.6°	109.8°
C10	C11	C12	122.3°	119.2°
C14	C10	H10	88.0°	109.8°
C10	C14	C15	118.2°	120.1°
C10	C14	C19	122.6°	120.0°
C11	C12	C13	120.2°	120.3°
C11	C12	H12	120.6°	119.9°
C13	C12	H12	119.3°	119.9°
C12	C13	H13	119.6°	120.2°
C15	C14	C19	119.1°	120.0°
C14	C15	C16	120.7°	120.2°
C14	C15	H15	120.0°	119.8°
C14	C19	C18	118.0°	119.7°
C14	C19	C20	124.8°	120.1°
C16	C15	H15	119.4°	119.9°
C15	C16	C17	121.8°	120.2°
C15	C16	H16	119.0°	119.8°
C17	C16	H16	119.2°	119.9°
C16	C17	C18	118.3°	120.0°
C16	C17	NL	121.0°	120.0°
C18	C17	NL	120.6°	120.0°
C17	C18	C19	122.0°	119.8°
C17	C18	H18	118.4°	120.1°
C17	NL	CL	145.3°	120.0°
C17	NL	HNL	106.6°	120.0°
C19	C18	H18	119.6°	120.2°
C18	C19	C20	116.6°	120.1°
C19	C20	O4	120.4°	120.0°
C19	C20	O5	121.1°	120.0°
O4	C20	O5	118.5°	120.0°
C20	O5	HO5	121.1°	120.0°
CL	NL	HNL	108.1°	120.0°
NL	CL	OL	127.8°	120.0°
NL	CL	CAL	114.0°	120.0°
OL	CL	CAL	118.1°	120.0°
CL	CAL	SG	108.7°	109.5°
CL	CAL	HAL3	112.5°	109.5°
CL	CAL	HAL2	112.5°	109.5°
SG	CAL	HAL3	112.5°	109.5°
SG	CAL	HAL2	112.5°	109.4°
CAL	SG	CB	100.2°	100.1°
HAL3	CAL	HAL2	98.0°	109.5°
SG	CB	CA	114.9°	109.5°
SG	CB	HB3	110.2°	109.5°
SG	CB	HB2	110.2°	109.4°
CA	CB	HB3	110.2°	109.5°
CA	CB	HB2	110.2°	109.4°
CB	CA	N	108.1°	109.4°
CB	CA	C	109.5°	109.5°
CB	CA	HA	110.9°	109.5°
HB3	CB	HB2	100.0°	109.5°
N	CA	C	111.0°	109.5°
N	CA	HA	109.4°	109.5°
CA	N	H	120.4°	106.7°
CA	N	H2	112.7°	106.7°
C	CA	HA	108.0°	109.4°
CA	C	O	120.1°	120.0°
CA	C	NT	117.2°	120.0°
H	N	H2	115.2°	106.7°
O	C	NT	122.7°	119.9°
C	NT	HNT1	119.2°	120.1°
C	NT	HNT2	119.2°	120.0°
HNT1	NT	HNT2	121.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C13	177.9°	180.0°
O1	C1	C2	C3	177.7°	180.0°
O1	C1	C2	HC2	2.3°	0.1°
O1	C1	C13	C12	177.9°	179.5°
O1	C1	C13	H13	2.1°	0.5°
C2	C1	O1	HO1	180.0°	90.0°
C1	C2	C3	HC2	180.0°	180.0°
C1	C2	C3	O2	179.8°	178.9°
C1	C2	C3	C11	0.5°	0.7°
C2	C1	C13	C12	0.1°	0.5°
C2	C1	C13	H13	179.9°	179.5°
C13	C1	O1	HO1	2.2°	89.9°
C13	C1	C2	C3	0.2°	0.0°
C13	C1	C2	HC2	179.8°	180.0°
C1	C13	C12	C11	0.1°	0.2°
C1	C13	C12	H13	180.0°	179.9°
C1	C13	C12	H12	179.9°	179.6°
C2	C3	O2	C11	179.7°	179.6°
C2	C3	O2	C4	180.0°	151.7°
C2	C3	C11	C10	178.9°	178.4°
C2	C3	C11	C12	0.5°	1.0°
HC2	C2	C3	O2	0.2°	1.1°
HC2	C2	C3	C11	179.5°	179.2°
C3	O2	C4	C5	179.0°	152.5°
C3	O2	C4	C9	0.1°	28.9°
O2	C3	C11	C10	0.8°	2.0°
O2	C3	C11	C12	179.8°	178.6°
C11	C3	O2	C4	0.3°	28.6°
C3	C11	C10	C9	2.2°	22.3°
C3	C11	C10	C12	179.4°	179.4°
C3	C11	C10	C14	171.0°	97.3°
C3	C11	C10	H10	93.1°	142.0°
C3	C11	C12	C13	0.2°	0.5°
C3	C11	C12	H12	179.8°	179.6°
O2	C4	C5	C9	179.2°	178.7°
O2	C4	C5	C6	178.8°	178.1°
O2	C4	C5	H5	1.2°	2.0°
O2	C4	C9	C8	179.4°	177.7°
O2	C4	C9	C10	1.6°	2.5°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	O3	176.4°	180.0°
C4	C5	C6	C7	0.9°	0.0°
C5	C4	C9	C8	0.3°	0.9°
C5	C4	C9	C10	177.5°	178.9°
C9	C4	C5	C6	0.4°	0.6°
C9	C4	C5	H5	179.6°	179.3°
C4	C9	C8	C7	0.6°	0.6°
C4	C9	C8	C10	177.8°	179.8°
C4	C9	C8	H8	179.5°	179.5°
C4	C9	C10	C11	2.6°	22.1°
C4	C9	C10	C14	170.5°	97.5°
C4	C9	C10	H10	105.8°	141.8°
C5	C6	O3	C7	177.3°	180.0°
C5	C6	O3	HO3	180.0°	90.0°
C5	C6	C7	C8	0.7°	0.3°
C5	C6	C7	H7	179.3°	179.7°
H5	C5	C6	O3	3.6°	0.1°
H5	C5	C6	C7	179.1°	179.9°
O3	C6	C7	C8	176.6°	179.7°
O3	C6	C7	H7	3.4°	0.3°
C7	C6	O3	HO3	2.7°	90.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	C8	H8	179.9°	179.9°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	177.2°	179.2°
H7	C7	C8	C9	180.0°	180.0°
H7	C7	C8	H8	0.0°	0.2°
C8	C9	C10	C11	179.7°	157.7°
C8	C9	C10	C14	7.3°	82.7°
C8	C9	C10	H10	76.4°	38.0°
H8	C8	C9	C10	2.8°	0.7°
C9	C10	C11	C14	173.2°	119.6°
C9	C10	C11	H10	90.9°	119.7°
C9	C10	C14	H10	81.3°	120.7°
C9	C10	C11	C12	178.4°	157.1°
C9	C10	C14	C15	116.1°	64.9°
C9	C10	C14	C19	67.2°	115.1°
C11	C10	C14	H10	105.6°	120.7°
C10	C11	C12	C13	179.2°	178.8°
C10	C11	C12	H12	0.8°	1.0°
C11	C10	C14	C15	57.0°	53.7°
C11	C10	C14	C19	119.7°	126.3°
C14	C10	C11	C12	8.3°	83.3°
C10	C14	C15	C19	176.8°	180.0°
C10	C14	C15	C16	175.9°	180.0°
C10	C14	C15	H15	4.2°	0.0°
C10	C14	C19	C18	176.6°	179.7°
C10	C14	C19	C20	4.8°	0.0°
H10	C10	C11	C12	87.5°	37.3°
H10	C10	C14	C15	162.6°	174.4°
H10	C10	C14	C19	14.1°	5.6°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	H13	179.9°	179.7°
H12	C12	C13	H13	0.1°	0.4°
C14	C15	C16	H15	179.9°	180.0°
C14	C15	C16	C17	0.7°	0.1°
C14	C15	C16	H16	179.3°	179.9°
C15	C14	C19	C18	0.1°	0.2°
C15	C14	C19	C20	171.8°	180.0°
C19	C14	C15	C16	0.9°	0.1°
C19	C14	C15	H15	179.0°	180.0°
C14	C19	C18	C17	1.0°	0.5°
C14	C19	C18	C20	172.4°	179.8°
C14	C19	C18	H18	178.9°	179.9°
C14	C19	C20	O4	19.8°	41.4°
C14	C19	C20	O5	161.5°	138.5°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	0.3°	0.2°
C15	C16	C17	NL	178.3°	179.9°
H15	C15	C16	C17	179.2°	180.0°
H15	C15	C16	H16	0.8°	0.0°
C16	C17	C18	NL	178.0°	179.7°
C16	C17	C18	C19	1.2°	0.5°
C16	C17	C18	H18	178.8°	179.9°
C16	C17	NL	CL	122.8°	147.3°
C16	C17	NL	HNL	57.0°	32.7°
H16	C16	C17	C18	179.7°	179.8°
H16	C16	C17	NL	1.7°	0.1°
C17	C18	C19	H18	180.0°	179.5°
C17	C18	C19	C20	171.4°	179.7°
C18	C17	NL	CL	59.3°	33.0°
C18	C17	NL	HNL	120.9°	147.1°
NL	C17	C18	C19	179.2°	179.8°
NL	C17	C18	H18	0.8°	0.2°
C17	NL	CL	HNL	179.8°	180.0°
C17	NL	CL	OL	1.5°	5.2°
C17	NL	CL	CAL	179.5°	174.8°
C18	C19	C20	O4	152.0°	138.8°
C18	C19	C20	O5	26.7°	41.3°
H18	C18	C19	C20	8.6°	0.2°
C19	C20	O4	O5	178.7°	180.0°
C19	C20	O5	HO5	180.0°	180.0°
O4	C20	O5	HO5	1.3°	0.0°
NL	CL	OL	CAL	178.0°	180.0°
NL	CL	CAL	SG	100.4°	180.0°
NL	CL	CAL	HAL3	24.8°	60.0°
NL	CL	CAL	HAL2	134.4°	60.0°
HNL	NL	CL	OL	178.7°	174.8°
HNL	NL	CL	CAL	0.7°	5.3°
OL	CL	CAL	SG	77.9°	0.0°
OL	CL	CAL	HAL3	156.9°	120.0°
OL	CL	CAL	HAL2	47.4°	119.9°
CL	CAL	SG	HAL3	125.2°	120.0°
CL	CAL	SG	HAL2	125.3°	120.0°
CL	CAL	HAL3	HAL2	118.4°	120.0°
CL	CAL	SG	CB	60.2°	180.0°
SG	CAL	HAL3	HAL2	118.5°	119.9°
CAL	SG	CB	CA	92.0°	180.0°
CAL	SG	CB	HB3	33.3°	60.0°
CAL	SG	CB	HB2	142.7°	60.0°
HAL3	CAL	SG	CB	174.6°	60.0°
HAL2	CAL	SG	CB	65.1°	60.0°
SG	CB	CA	HB3	125.3°	120.0°
SG	CB	CA	HB2	125.3°	119.9°
SG	CB	HB3	HB2	116.0°	119.9°
SG	CB	CA	N	159.6°	60.0°
SG	CB	CA	C	79.4°	180.0°
SG	CB	CA	HA	39.7°	60.0°
CA	CB	HB3	HB2	116.1°	120.0°
CB	CA	N	C	120.1°	120.0°
CB	CA	N	HA	120.8°	120.0°
CB	CA	C	HA	120.8°	120.0°
CB	CA	N	H	86.6°	60.0°
CB	CA	N	H2	54.7°	53.8°
CB	CA	C	O	62.6°	90.0°
CB	CA	C	NT	115.4°	90.0°
HB3	CB	CA	N	75.2°	60.0°
HB3	CB	CA	C	45.9°	60.0°
HB3	CB	CA	HA	164.9°	180.0°
HB2	CB	CA	N	34.3°	180.0°
HB2	CB	CA	C	155.3°	60.0°
HB2	CB	CA	HA	85.6°	60.0°
N	CA	C	HA	119.9°	120.0°
CA	N	H	H2	140.4°	113.8°
N	CA	C	O	56.6°	30.0°
N	CA	C	NT	125.4°	150.0°
C	CA	N	H	33.5°	60.0°
C	CA	N	H2	174.8°	173.8°
CA	C	O	NT	177.9°	179.9°
CA	C	NT	HNT1	0.1°	180.0°
CA	C	NT	HNT2	179.7°	0.0°
HA	CA	N	H	152.5°	179.9°
HA	CA	N	H2	66.1°	66.3°
HA	CA	C	O	176.5°	150.0°
HA	CA	C	NT	5.5°	30.1°
O	C	NT	HNT1	177.8°	0.1°
O	C	NT	HNT2	2.3°	180.0°
C	NT	HNT1	HNT2	179.9°	179.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1MPA