0YF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.54Å
C1	C14	sing	1.53Å	1.53Å
C2	O2	doub	1.21Å	1.21Å
C14	C18	sing	1.51Å	1.55Å
C31	C18	doub	1.38Å	1.51Å	Aromatic
C31	C30	sing	1.38Å	1.42Å	Aromatic
C18	C15	sing	1.38Å	1.38Å	Aromatic
C30	C17	doub	1.39Å	1.43Å	Aromatic
C15	C16	doub	1.38Å	1.45Å	Aromatic
C23	C22	doub	1.38Å	1.44Å	Aromatic
C23	C19	sing	1.39Å	1.34Å	Aromatic
C17	C16	sing	1.39Å	1.46Å	Aromatic
C17	C19	sing	1.48Å	1.53Å
C22	C27	sing	1.38Å	1.43Å	Aromatic
C19	C20	doub	1.39Å	1.49Å	Aromatic
C27	C21	doub	1.38Å	1.41Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.08Å	1.08Å
C16	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C27	H24	sing	1.08Å	1.08Å
C30	H25	sing	1.08Å	1.08Å
C31	H26	sing	1.08Å	1.08Å
C2	OXT	sing	1.34Å	27.87Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C14	112.7°	109.5°
C1	C2	O2	120.2°	120.0°
C2	C1	H1	108.7°	109.4°
C2	C1	H2	108.7°	109.5°
C1	C2	OXT	26.0°	120.0°
C1	C14	C18	117.3°	109.5°
C14	C1	H1	108.7°	109.5°
C14	C1	H2	108.6°	109.5°
C1	C14	H16	107.5°	109.4°
C1	C14	H17	107.5°	109.4°
O2	C2	OXT	98.7°	120.0°
C14	C18	C31	120.7°	119.9°
C14	C18	C15	118.3°	119.9°
C18	C14	H16	107.5°	109.5°
C18	C14	H17	107.5°	109.5°
C18	C31	C30	118.1°	120.1°
C31	C18	C15	120.9°	120.3°
C18	C31	H26	121.0°	120.0°
C31	C30	C17	120.3°	119.9°
C31	C30	H25	119.9°	120.1°
C30	C31	H26	120.9°	119.9°
C18	C15	C16	121.0°	120.1°
C18	C15	H18	119.5°	119.9°
C30	C17	C16	121.5°	119.7°
C30	C17	C19	120.4°	120.1°
C17	C30	H25	119.8°	120.0°
C15	C16	C17	118.1°	119.9°
C16	C15	H18	119.5°	120.0°
C15	C16	H19	120.9°	120.1°
C22	C23	C19	118.7°	119.9°
C23	C22	C27	120.9°	120.1°
C23	C22	H22	119.5°	120.0°
C22	C23	H23	120.6°	120.1°
C23	C19	C17	120.0°	120.1°
C23	C19	C20	121.1°	119.7°
C19	C23	H23	120.7°	120.0°
C16	C17	C19	118.1°	120.1°
C17	C16	H19	121.0°	120.0°
C17	C19	C20	118.9°	120.1°
C22	C27	C21	120.1°	120.2°
C27	C22	H22	119.5°	119.9°
C22	C27	H24	119.9°	119.9°
C19	C20	C21	120.1°	119.9°
C19	C20	H20	119.9°	120.0°
C27	C21	C20	119.0°	120.1°
C27	C21	H21	120.5°	120.0°
C21	C27	H24	119.9°	119.9°
C21	C20	H20	119.9°	120.1°
C20	C21	H21	120.5°	119.9°
H1	C1	H2	109.5°	109.5°
H16	C14	H17	109.5°	109.5°
C2	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C14	H1	120.5°	119.9°
C2	C1	C14	H2	120.4°	120.0°
C1	C2	O2	OXT	15.7°	179.9°
C2	C1	C14	C18	101.5°	180.0°
C2	C1	H1	H2	118.5°	120.0°
C2	C1	C14	H16	137.4°	60.0°
C2	C1	C14	H17	19.7°	60.0°
C1	C2	OXT	HXT	90.0°	179.9°
C14	C1	C2	O2	53.7°	0.1°
C1	C14	C18	H16	121.1°	120.0°
C1	C14	C18	H17	121.1°	120.0°
C1	C14	C18	C31	16.5°	90.0°
C1	C14	C18	C15	165.8°	90.0°
C14	C1	H1	H2	118.5°	120.0°
C1	C14	H16	H17	116.5°	119.9°
C14	C1	C2	OXT	16.0°	180.0°
O2	C2	C1	H1	174.2°	120.0°
O2	C2	C1	H2	66.8°	119.9°
O2	C2	OXT	HXT	90.0°	0.1°
C14	C18	C31	C15	177.7°	180.0°
C14	C18	C31	C30	177.3°	179.4°
C14	C18	C15	C16	177.2°	180.0°
C18	C14	C1	H1	19.0°	60.0°
C18	C14	C1	H2	138.1°	60.0°
C18	C14	H16	H17	116.4°	120.1°
C14	C18	C15	H18	2.8°	0.3°
C14	C18	C31	H26	2.7°	0.0°
C18	C31	C30	H26	180.0°	179.4°
C18	C31	C30	C17	0.1°	0.9°
C31	C18	C15	C16	0.5°	0.0°
C31	C18	C14	H16	104.7°	150.0°
C31	C18	C14	H17	137.6°	29.9°
C31	C18	C15	H18	179.5°	179.7°
C18	C31	C30	H25	179.9°	179.7°
C30	C31	C18	C15	0.4°	0.6°
C31	C30	C17	H25	180.0°	179.4°
C31	C30	C17	C16	0.0°	0.6°
C31	C30	C17	C19	179.9°	179.4°
C18	C15	C16	H18	180.0°	179.7°
C18	C15	C16	C17	0.4°	0.3°
C15	C18	C14	H16	73.1°	30.0°
C15	C18	C14	H17	44.7°	150.0°
C18	C15	C16	H19	179.6°	179.8°
C15	C18	C31	H26	179.6°	180.0°
C30	C17	C16	C15	0.2°	0.0°
C30	C17	C19	C23	32.9°	179.8°
C30	C17	C16	C19	179.8°	180.0°
C30	C17	C19	C20	147.5°	0.0°
C30	C17	C16	H19	179.8°	180.0°
C17	C30	C31	H26	179.9°	179.7°
C15	C16	C17	H19	180.0°	180.0°
C15	C16	C17	C19	180.0°	180.0°
C22	C23	C19	H23	180.0°	179.9°
C22	C23	C19	C17	179.4°	180.0°
C23	C22	C27	H22	180.0°	179.6°
C22	C23	C19	C20	0.2°	0.2°
C23	C22	C27	C21	0.8°	0.3°
C23	C22	C27	H24	179.2°	180.0°
C23	C19	C17	C16	147.0°	0.3°
C23	C19	C17	C20	179.6°	179.7°
C19	C23	C22	C27	0.4°	0.1°
C23	C19	C20	C21	0.3°	0.3°
C23	C19	C20	H20	179.7°	179.8°
C19	C23	C22	H22	179.6°	179.7°
C16	C17	C19	C20	32.6°	180.0°
C17	C16	C15	H18	179.6°	180.0°
C16	C17	C30	H25	180.0°	180.0°
C17	C19	C20	C21	179.3°	180.0°
C19	C17	C16	H19	0.0°	0.1°
C17	C19	C20	H20	0.7°	0.1°
C17	C19	C23	H23	0.6°	0.1°
C19	C17	C30	H25	0.1°	0.0°
C22	C27	C21	H24	180.0°	179.7°
C22	C27	C21	C20	0.7°	0.3°
C22	C27	C21	H21	179.3°	179.7°
C27	C22	C23	H23	179.6°	180.0°
C19	C20	C21	C27	0.2°	0.0°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	H21	179.8°	180.0°
C20	C19	C23	H23	179.8°	179.7°
C27	C21	C20	H21	180.0°	180.0°
C27	C21	C20	H20	179.8°	179.9°
C21	C27	C22	H22	179.2°	179.9°
C20	C21	C27	H24	179.3°	180.0°
H1	C1	C14	H16	102.1°	179.9°
H1	C1	C14	H17	140.1°	60.0°
H1	C1	C2	OXT	136.5°	60.1°
H2	C1	C14	H16	17.0°	60.0°
H2	C1	C14	H17	100.8°	180.0°
H2	C1	C2	OXT	104.4°	59.9°
H18	C15	C16	H19	0.4°	0.0°
H20	C20	C21	H21	0.2°	0.1°
H21	C21	C27	H24	0.7°	0.0°
H22	C22	C23	H23	0.4°	0.4°
H22	C22	C27	H24	0.8°	0.4°
H25	C30	C31	H26	0.1°	0.3°

Definition date:	2012-09-13
Last modified:	2012-09-13
Release status:	REL
Processing site:	RCSB
Derived from:	3LJG