Obsolete: URY

URY was replaced with K0I on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.30Å
C1	C	sing	1.51Å	1.50Å
C	O1	sing	1.34Å	1.21Å
C3	N	sing	1.39Å	1.36Å
N	C2	sing	1.47Å	1.45Å
N	HN	sing	0.97Å	1.00Å
C2	C1	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C4	N1	doub	1.32Å	1.34Å	Aromatic
N1	C3	sing	1.33Å	1.34Å	Aromatic
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C6	N2	doub	1.32Å	1.34Å	Aromatic
N2	C5	sing	1.33Å	1.34Å	Aromatic
C3	C21	doub	1.39Å	1.39Å	Aromatic
C4	N3	sing	1.33Å	1.34Å	Aromatic
N3	C10	doub	1.33Å	1.34Å	Aromatic
C5	C4	sing	1.48Å	1.49Å
C20	N4	sing	1.45Å	1.46Å
C10	N4	sing	1.39Å	1.37Å
N4	C11	sing	1.45Å	1.46Å
C9	C5	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	doub	1.39Å	1.37Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.39Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	C21	sing	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.53Å	1.52Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C13	C12	sing	1.51Å	1.51Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C18	C13	sing	1.37Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C16	C15	doub	1.38Å	1.37Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	C17	sing	1.38Å	1.38Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	C19	sing	1.51Å	1.51Å
C19	C20	sing	1.53Å	1.53Å
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C21	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	113.4°	119.9°
O	C	O1	123.4°	120.0°
C1	C	O1	123.1°	120.0°
C	C1	C2	113.4°	109.5°
C	C1	H1	108.5°	109.4°
C	C1	H1A	108.5°	109.4°
C	O1	HO1	109.5°	117.0°
C3	N	C2	122.6°	119.9°
C3	N	HN	106.1°	120.0°
N	C3	N1	117.1°	120.4°
N	C3	C21	120.0°	120.5°
C2	N	HN	106.1°	120.0°
N	C2	C1	109.4°	109.4°
N	C2	H2	109.5°	109.5°
N	C2	H2A	109.5°	109.5°
C2	C1	H1	108.5°	109.5°
C2	C1	H1A	108.5°	109.5°
C1	C2	H2	109.5°	109.4°
C1	C2	H2A	109.5°	109.5°
H1	C1	H1A	109.5°	109.5°
C4	N1	C3	116.1°	120.8°
N1	C4	N3	125.8°	121.8°
N1	C4	C5	117.0°	119.1°
N1	C3	C21	122.9°	119.1°
H2	C2	H2A	109.5°	109.5°
C6	N2	C5	117.4°	121.6°
N2	C6	C7	123.7°	120.9°
N2	C6	H6	118.1°	119.5°
N2	C5	C4	117.0°	119.7°
N2	C5	C9	122.5°	120.6°
C3	C21	C10	116.2°	118.4°
C3	C21	H21	121.9°	120.7°
C4	N3	C10	117.1°	120.8°
N3	C4	C5	117.2°	119.1°
N3	C10	N4	116.8°	120.5°
N3	C10	C21	121.9°	119.1°
C4	C5	C9	120.5°	119.7°
C20	N4	C10	123.0°	111.0°
C20	N4	C11	117.4°	116.7°
N4	C20	C19	110.9°	110.9°
N4	C20	H20	109.1°	109.2°
N4	C20	H20A	109.1°	109.2°
C10	N4	C11	119.7°	111.0°
N4	C10	C21	121.3°	120.4°
N4	C11	C12	110.8°	110.9°
N4	C11	H11	109.1°	109.2°
N4	C11	H11A	109.1°	109.2°
C5	C9	C8	118.5°	119.1°
C5	C9	H9	120.8°	120.5°
C7	C6	H6	118.1°	119.5°
C6	C7	C8	118.1°	119.3°
C6	C7	H7	121.0°	120.4°
C8	C7	H7	121.0°	120.3°
C7	C8	C9	119.8°	118.5°
C7	C8	H8	120.1°	120.7°
C9	C8	H8	120.1°	120.8°
C8	C9	H9	120.7°	120.5°
C10	C21	H21	121.9°	120.8°
C12	C11	H11	109.2°	109.2°
C12	C11	H11A	109.1°	109.2°
C11	C12	C13	115.2°	108.3°
C11	C12	H12	108.0°	109.7°
C11	C12	H12A	108.0°	109.7°
H11	C11	H11A	109.5°	109.2°
C13	C12	H12	108.0°	109.7°
C13	C12	H12A	108.0°	109.7°
C12	C13	C14	117.8°	119.8°
C12	C13	C18	123.1°	119.9°
H12	C12	H12A	109.5°	109.7°
C14	C13	C18	119.1°	120.3°
C13	C14	C15	121.0°	119.6°
C13	C14	H14	119.5°	120.2°
C13	C18	C17	118.9°	120.3°
C13	C18	C19	124.2°	119.9°
C15	C14	H14	119.5°	120.2°
C14	C15	C16	120.0°	120.1°
C14	C15	H15	120.0°	120.0°
C16	C15	H15	120.0°	119.9°
C15	C16	C17	120.0°	120.1°
C15	C16	H16	120.0°	119.9°
C17	C16	H16	120.0°	120.0°
C16	C17	C18	121.1°	119.6°
C16	C17	H17	119.5°	120.2°
C18	C17	H17	119.5°	120.2°
C17	C18	C19	116.8°	119.8°
C18	C19	C20	118.6°	108.3°
C18	C19	H19	107.2°	109.7°
C18	C19	H19A	107.1°	109.7°
C20	C19	H19	107.1°	109.7°
C20	C19	H19A	107.1°	109.7°
C19	C20	H20	109.1°	109.2°
C19	C20	H20A	109.1°	109.2°
H19	C19	H19A	109.5°	109.7°
H20	C20	H20A	109.5°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	O1	179.6°	179.7°
O	C	C1	C2	35.9°	0.3°
O	C	C1	H1	84.7°	119.7°
O	C	C1	H1A	156.4°	120.3°
O	C	O1	HO1	0.0°	0.1°
C	C1	C2	N	166.4°	180.0°
C	C1	C2	H1	120.6°	120.0°
C	C1	C2	H1A	120.6°	119.9°
C	C1	H1	H1A	118.2°	119.9°
C1	C	O1	HO1	179.6°	179.7°
C	C1	C2	H2	46.4°	60.0°
C	C1	C2	H2A	73.6°	60.0°
O1	C	C1	C2	144.5°	180.0°
O1	C	C1	H1	94.9°	59.9°
O1	C	C1	H1A	23.9°	60.0°
C3	N	C2	HN	121.8°	180.0°
C3	N	C2	C1	85.3°	180.0°
N	C3	N1	C4	178.3°	179.9°
N	C3	N1	C21	178.6°	179.9°
C3	N	C2	H2	34.7°	60.0°
C3	N	C2	H2A	154.7°	60.0°
N	C3	C21	C10	178.0°	180.0°
N	C3	C21	H21	2.0°	0.0°
N	C2	C1	H2	120.0°	120.0°
N	C2	C1	H2A	120.0°	120.0°
N	C2	C1	H1	45.8°	60.0°
N	C2	C1	H1A	73.0°	60.0°
C2	N	C3	N1	178.0°	180.0°
N	C2	H2	H2A	120.0°	120.0°
C2	N	C3	C21	0.6°	0.1°
HN	N	C2	C1	152.9°	0.0°
HN	N	C3	N1	60.1°	0.0°
HN	N	C2	H2	87.1°	120.0°
HN	N	C2	H2A	32.9°	120.0°
HN	N	C3	C21	121.2°	180.0°
C2	C1	H1	H1A	118.2°	120.1°
C1	C2	H2	H2A	120.0°	120.0°
H1	C1	C2	H2	74.1°	60.0°
H1	C1	C2	H2A	165.8°	180.0°
H1A	C1	C2	H2	167.0°	180.0°
H1A	C1	C2	H2A	47.0°	59.9°
N1	C4	C5	N2	0.5°	180.0°
C4	N1	C3	C21	0.3°	0.0°
N1	C4	N3	C5	180.0°	180.0°
N1	C4	N3	C10	0.1°	0.0°
N1	C4	C5	C9	179.5°	0.0°
C3	N1	C4	N3	0.0°	0.0°
C3	N1	C4	C5	180.0°	180.0°
N1	C3	C21	C10	0.5°	0.0°
N1	C3	C21	H21	179.5°	180.0°
C6	N2	C5	C4	179.8°	180.0°
C6	N2	C5	C9	0.2°	0.0°
N2	C6	C7	H6	180.0°	180.0°
N2	C6	C7	C8	0.0°	0.0°
N2	C6	C7	H7	180.0°	180.0°
N2	C5	C4	N3	179.5°	0.0°
N2	C5	C4	C9	180.0°	180.0°
C5	N2	C6	C7	0.1°	0.1°
C5	N2	C6	H6	180.0°	180.0°
N2	C5	C9	C8	0.2°	0.0°
N2	C5	C9	H9	179.8°	180.0°
C3	C21	C10	N3	0.4°	0.0°
C3	C21	C10	N4	179.3°	180.0°
C3	C21	C10	H21	180.0°	180.0°
C4	N3	C10	N4	179.6°	180.0°
N3	C4	C5	C9	0.5°	180.0°
C4	N3	C10	C21	0.1°	0.0°
C10	N3	C4	C5	179.9°	180.0°
N3	C10	N4	C20	14.0°	131.5°
N3	C10	N4	C21	179.6°	180.0°
N3	C10	N4	C11	166.8°	0.0°
N3	C10	C21	H21	179.6°	179.9°
C4	C5	C9	C8	179.8°	180.0°
C4	C5	C9	H9	0.2°	0.0°
C20	N4	C10	C11	179.2°	131.5°
C20	N4	C10	C21	165.7°	48.5°
C20	N4	C11	C12	28.5°	69.7°
C20	N4	C11	H11	148.7°	50.6°
C20	N4	C11	H11A	91.6°	169.9°
N4	C20	C19	C18	46.8°	84.8°
N4	C20	C19	H20	120.2°	120.3°
N4	C20	C19	H20A	120.2°	120.4°
N4	C20	C19	H19	74.5°	155.5°
N4	C20	C19	H19A	168.0°	34.9°
N4	C20	H20	H20A	119.3°	119.3°
C10	N4	C11	C12	152.2°	161.8°
C10	N4	C11	H11	32.0°	77.9°
C10	N4	C11	H11A	87.6°	41.5°
C10	N4	C20	C19	90.4°	161.8°
C10	N4	C20	H20	149.4°	41.5°
C10	N4	C20	H20A	29.8°	77.8°
N4	C10	C21	H21	0.7°	0.0°
C11	N4	C10	C21	13.5°	180.0°
N4	C11	C12	H11	120.2°	120.3°
N4	C11	C12	H11A	120.2°	120.4°
N4	C11	H11	H11A	119.4°	119.4°
N4	C11	C12	C13	56.8°	84.8°
N4	C11	C12	H12	177.7°	155.5°
N4	C11	C12	H12A	64.0°	34.9°
C11	N4	C20	C19	90.4°	69.7°
C11	N4	C20	H20	29.8°	169.9°
C11	N4	C20	H20A	149.4°	50.7°
C5	C9	C8	C7	0.1°	0.0°
C5	C9	C8	H9	180.0°	180.0°
C5	C9	C8	H8	179.9°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.0°	0.0°
C6	C7	C8	H8	180.0°	179.9°
H6	C6	C7	C8	180.0°	180.0°
H6	C6	C7	H7	0.0°	0.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	H9	179.9°	180.0°
H7	C7	C8	C9	180.0°	179.9°
H7	C7	C8	H8	0.0°	0.0°
H8	C8	C9	H9	0.1°	0.1°
C12	C11	H11	H11A	119.4°	119.3°
C11	C12	C13	H12	120.8°	119.7°
C11	C12	C13	H12A	120.9°	119.7°
C11	C12	H12	H12A	117.4°	120.5°
C11	C12	C13	C14	115.6°	110.6°
C11	C12	C13	C18	64.2°	69.4°
H11	C11	C12	C13	63.4°	35.6°
H11	C11	C12	H12	57.5°	84.1°
H11	C11	C12	H12A	175.8°	155.3°
H11A	C11	C12	C13	177.0°	154.9°
H11A	C11	C12	H12	62.1°	35.1°
H11A	C11	C12	H12A	56.2°	85.4°
C13	C12	H12	H12A	117.4°	120.6°
C12	C13	C14	C18	179.9°	180.0°
C12	C13	C14	C15	179.8°	180.0°
C12	C13	C14	H14	0.2°	0.0°
C12	C13	C18	C17	179.7°	180.0°
C12	C13	C18	C19	0.9°	0.1°
H12	C12	C13	C14	5.2°	9.1°
H12	C12	C13	C18	174.9°	171.0°
H12A	C12	C13	C14	123.5°	129.7°
H12A	C12	C13	C18	56.6°	50.3°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.1°	0.0°
C13	C14	C15	H15	180.0°	180.0°
C14	C13	C18	C17	0.2°	0.0°
C14	C13	C18	C19	179.2°	179.9°
C18	C13	C14	C15	0.1°	0.0°
C18	C13	C14	H14	179.9°	180.0°
C13	C18	C17	C16	0.2°	0.0°
C13	C18	C17	C19	179.4°	180.0°
C13	C18	C17	H17	179.8°	180.0°
C13	C18	C19	C20	13.5°	69.5°
C13	C18	C19	H19	134.8°	170.8°
C13	C18	C19	H19A	107.8°	50.2°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	0.0°	0.1°
C14	C15	C16	H16	180.0°	179.9°
H14	C14	C15	C16	179.9°	180.0°
H14	C14	C15	H15	0.0°	0.0°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	0.1°	0.1°
C15	C16	C17	H17	179.9°	180.0°
H15	C15	C16	C17	180.0°	180.0°
H15	C15	C16	H16	0.0°	0.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C19	179.2°	180.0°
H16	C16	C17	C18	179.9°	179.9°
H16	C16	C17	H17	0.1°	0.0°
C17	C18	C19	C20	167.1°	110.6°
C17	C18	C19	H19	45.9°	9.2°
C17	C18	C19	H19A	71.6°	129.7°
H17	C17	C18	C19	0.8°	0.1°
C18	C19	C20	H19	121.3°	119.7°
C18	C19	C20	H19A	121.3°	119.7°
C18	C19	H19	H19A	115.9°	120.5°
C18	C19	C20	H20	73.4°	154.9°
C18	C19	C20	H20A	167.0°	35.6°
C20	C19	H19	H19A	115.9°	120.6°
C19	C20	H20	H20A	119.3°	119.3°
H19	C19	C20	H20	165.3°	35.2°
H19	C19	C20	H20A	45.7°	84.1°
H19A	C19	C20	H20	47.8°	85.5°
H19A	C19	C20	H20A	71.7°	155.3°

Release date:	2016-01-13
Definition date:	2015-12-04
Last modified:	2016-01-12
Release status:	OBS
Processing site:	EBI
Replaced by:	K0I
Derived from:	5FPU