Obsolete: COE

COE was replaced with MOT on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.34Å	Aromatic
N1	C8A	sing	1.33Å	1.34Å	Aromatic
C2	NA2	sing	1.38Å	1.32Å
C2	N3	sing	1.33Å	1.29Å	Aromatic
NA2	HN21	sing	0.97Å	1.02Å
NA2	HN22	sing	0.97Å	1.02Å
N3	C4	doub	1.33Å	1.28Å	Aromatic
C4	N4	sing	1.38Å	1.33Å
C4	C4A	sing	1.40Å	1.33Å	Aromatic
N4	HN41	sing	0.97Å	1.02Å
N4	HN42	sing	0.97Å	1.02Å
C4A	C6	sing	1.46Å	1.46Å	Aromatic
C4A	C8A	doub	1.40Å	1.33Å	Aromatic
C6	C7	doub	1.34Å	1.34Å	Aromatic
C6	C9	sing	1.51Å	1.49Å
C7	O8	sing	1.35Å	1.24Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
O8	C8A	sing	1.34Å	1.23Å	Aromatic
C9	N10	sing	1.47Å	1.48Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
N10	C10	sing	1.47Å	1.48Å
N10	C14	sing	1.39Å	1.34Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.11Å
C10	H103	sing	1.09Å	1.12Å
C11	C12	doub	1.40Å	1.36Å	Aromatic
C11	C16	sing	1.40Å	1.35Å	Aromatic
C11	C	sing	1.47Å	1.34Å
C12	C13	sing	1.37Å	1.34Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.39Å	1.34Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.39Å	1.35Å	Aromatic
C15	C16	doub	1.38Å	1.34Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å
C	O	doub	1.22Å	1.22Å
C	N	sing	1.35Å	1.36Å
N	CA	sing	1.46Å	1.50Å
N	HN	sing	0.97Å	1.02Å
CA	CB	sing	1.53Å	1.54Å
CA	CT	sing	1.51Å	1.50Å
CA	HA	sing	1.09Å	1.11Å
CB	CG	sing	1.53Å	1.53Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CG	CD	sing	1.51Å	1.51Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.11Å
CD	OE1	doub	1.21Å	1.22Å
CD	OE2	sing	1.34Å	1.22Å
OE2	HOE2	sing	0.97Å	0.95Å
CT	O1	doub	1.21Å	1.23Å
CT	O2	sing	1.34Å	1.23Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C8A	112.5°	120.7°
N1	C2	NA2	115.4°	118.8°
N1	C2	N3	124.0°	122.5°
N1	C8A	C4A	122.9°	118.5°
N1	C8A	O8	124.0°	134.3°
NA2	C2	N3	120.6°	118.7°
C2	NA2	HN21	115.4°	120.0°
C2	NA2	HN22	110.1°	120.0°
C2	N3	C4	123.7°	120.9°
HN21	NA2	HN22	110.0°	120.0°
N3	C4	N4	121.2°	120.8°
N3	C4	C4A	115.8°	118.4°
N4	C4	C4A	123.0°	120.8°
C4	N4	HN41	121.2°	120.0°
C4	N4	HN42	108.0°	120.0°
C4	C4A	C6	136.0°	135.4°
C4	C4A	C8A	121.2°	119.0°
HN41	N4	HN42	108.1°	120.0°
C6	C4A	C8A	102.8°	105.6°
C4A	C6	C7	101.1°	106.1°
C4A	C6	C9	125.4°	126.9°
C4A	C8A	O8	113.1°	107.2°
C7	C6	C9	133.4°	127.0°
C6	C7	O8	113.6°	110.0°
C6	C7	H7	126.6°	125.0°
C6	C9	N10	122.3°	109.4°
C6	C9	H91	107.6°	109.4°
C6	C9	H92	107.6°	109.5°
O8	C7	H7	119.8°	125.0°
C7	O8	C8A	109.3°	111.0°
N10	C9	H91	107.7°	109.4°
N10	C9	H92	107.7°	109.5°
C9	N10	C10	114.0°	119.9°
C9	N10	C14	117.9°	120.0°
H91	C9	H92	102.2°	109.5°
C10	N10	C14	120.7°	120.0°
N10	C10	H101	114.0°	109.5°
N10	C10	H102	110.5°	109.5°
N10	C10	H103	110.5°	109.5°
N10	C14	C13	124.7°	120.0°
N10	C14	C15	119.1°	119.9°
H101	C10	H102	110.6°	109.5°
H101	C10	H103	110.6°	109.5°
H102	C10	H103	99.7°	109.5°
C12	C11	C16	117.1°	119.8°
C12	C11	C	119.8°	120.1°
C11	C12	C13	121.2°	120.0°
C11	C12	H12	120.1°	120.0°
C16	C11	C	123.0°	120.0°
C11	C16	C15	120.5°	120.0°
C11	C16	H16	119.9°	120.1°
C11	C	O	124.3°	119.9°
C11	C	N	120.8°	120.1°
C13	C12	H12	118.7°	120.0°
C12	C13	C14	122.2°	120.1°
C12	C13	H13	118.7°	120.0°
C14	C13	H13	119.1°	119.9°
C13	C14	C15	116.2°	120.1°
C14	C15	C16	122.8°	120.0°
C14	C15	H15	118.7°	120.0°
C16	C15	H15	118.5°	120.0°
C15	C16	H16	119.5°	120.0°
O	C	N	114.9°	120.0°
C	N	CA	107.3°	120.0°
C	N	HN	122.5°	119.9°
CA	N	HN	130.2°	120.0°
N	CA	CB	108.0°	109.5°
N	CA	CT	108.2°	109.5°
N	CA	HA	114.6°	109.5°
CB	CA	CT	117.5°	109.5°
CB	CA	HA	104.6°	109.5°
CA	CB	CG	117.8°	109.5°
CA	CB	HB1	109.2°	109.5°
CA	CB	HB2	109.2°	109.5°
CT	CA	HA	104.3°	109.5°
CA	CT	O1	122.6°	120.0°
CA	CT	O2	121.2°	120.0°
CG	CB	HB1	109.2°	109.4°
CG	CB	HB2	109.2°	109.4°
CB	CG	CD	112.6°	109.5°
CB	CG	HG1	111.1°	109.5°
CB	CG	HG2	111.1°	109.5°
HB1	CB	HB2	101.0°	109.5°
CD	CG	HG1	111.0°	109.5°
CD	CG	HG2	111.0°	109.4°
CG	CD	OE1	119.9°	120.0°
CG	CD	OE2	118.6°	120.0°
HG1	CG	HG2	99.3°	109.4°
OE1	CD	OE2	121.5°	120.0°
CD	OE2	HOE2	118.7°	120.0°
O1	CT	O2	116.1°	120.0°
CT	O2	HO2	121.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	NA2	N3	179.1°	180.0°
N1	C2	NA2	HN21	180.0°	180.0°
N1	C2	NA2	HN22	54.7°	0.1°
N1	C2	N3	C4	1.3°	0.0°
C2	N1	C8A	C4A	0.5°	0.2°
C2	N1	C8A	O8	179.3°	180.0°
C8A	N1	C2	NA2	178.2°	180.0°
C8A	N1	C2	N3	0.9°	0.0°
N1	C8A	C4A	C4	0.5°	0.6°
N1	C8A	C4A	C6	178.9°	179.8°
N1	C8A	C4A	O8	179.0°	179.8°
N1	C8A	O8	C7	179.8°	180.0°
C2	NA2	HN21	HN22	125.4°	179.9°
NA2	C2	N3	C4	177.7°	180.0°
N3	C2	NA2	HN21	0.9°	0.0°
N3	C2	NA2	HN22	124.4°	179.9°
C2	N3	C4	N4	179.8°	179.9°
C2	N3	C4	C4A	1.2°	0.4°
N3	C4	N4	C4A	178.9°	179.7°
N3	C4	N4	HN41	180.0°	0.0°
N3	C4	N4	HN42	54.7°	180.0°
N3	C4	C4A	C6	178.3°	179.6°
N3	C4	C4A	C8A	0.7°	0.6°
C4	N4	HN41	HN42	125.3°	179.9°
N4	C4	C4A	C6	0.7°	0.8°
N4	C4	C4A	C8A	179.7°	179.7°
C4A	C4	N4	HN41	1.0°	179.7°
C4A	C4	N4	HN42	126.4°	0.3°
C4	C4A	C6	C8A	179.2°	179.0°
C4	C4A	C6	C7	180.0°	179.4°
C4	C4A	C6	C9	0.5°	0.8°
C4	C4A	C8A	O8	179.4°	179.6°
C4A	C6	C7	C9	179.4°	179.8°
C4A	C6	C7	O8	1.4°	0.3°
C4A	C6	C7	H7	178.6°	179.8°
C6	C4A	C8A	O8	0.1°	0.4°
C4A	C6	C9	N10	164.2°	179.7°
C4A	C6	C9	H91	38.9°	59.8°
C4A	C6	C9	H92	70.6°	60.3°
C8A	C4A	C6	C7	0.9°	0.4°
C8A	C4A	C6	C9	179.7°	179.8°
C4A	C8A	O8	C7	0.8°	0.2°
C6	C7	O8	H7	180.0°	179.9°
C6	C7	O8	C8A	1.5°	0.0°
C7	C6	C9	N10	16.6°	0.1°
C7	C6	C9	H91	141.9°	119.9°
C7	C6	C9	H92	108.7°	120.0°
C9	C6	C7	O8	179.2°	179.9°
C9	C6	C7	H7	0.8°	0.0°
C6	C9	N10	H91	125.2°	119.9°
C6	C9	N10	H92	125.2°	120.0°
C6	C9	H91	H92	113.1°	120.1°
C6	C9	N10	C10	98.2°	90.0°
C6	C9	N10	C14	52.0°	90.0°
H7	C7	O8	C8A	178.5°	180.0°
N10	C9	H91	H92	113.3°	120.0°
C9	N10	C10	C14	149.4°	180.0°
C9	N10	C10	H101	180.0°	0.0°
C9	N10	C10	H102	54.7°	120.0°
C9	N10	C10	H103	54.7°	120.0°
C9	N10	C14	C13	30.2°	180.0°
C9	N10	C14	C15	147.5°	0.3°
H91	C9	N10	C10	136.5°	150.1°
H91	C9	N10	C14	73.2°	29.9°
H92	C9	N10	C10	27.0°	30.0°
H92	C9	N10	C14	177.3°	150.0°
N10	C10	H101	H102	125.3°	120.0°
N10	C10	H101	H103	125.2°	120.0°
N10	C10	H102	H103	116.3°	120.0°
C10	N10	C14	C13	178.5°	0.0°
C10	N10	C14	C15	0.7°	179.7°
C14	N10	C10	H101	30.6°	180.0°
C14	N10	C10	H102	155.9°	60.0°
C14	N10	C10	H103	94.7°	60.0°
N10	C14	C13	C12	177.2°	180.0°
N10	C14	C13	C15	177.8°	179.7°
N10	C14	C13	H13	2.8°	0.0°
N10	C14	C15	C16	178.2°	179.7°
N10	C14	C15	H15	1.7°	0.3°
H101	C10	H102	H103	116.4°	120.0°
C12	C11	C16	C	177.9°	180.0°
C11	C12	C13	H12	179.9°	179.9°
C11	C12	C13	C14	1.9°	0.0°
C11	C12	C13	H13	178.1°	180.0°
C12	C11	C16	C15	1.2°	0.3°
C12	C11	C16	H16	178.7°	179.9°
C12	C11	C	O	162.3°	0.0°
C12	C11	C	N	17.7°	180.0°
C16	C11	C12	C13	2.1°	0.1°
C16	C11	C12	H12	177.8°	180.0°
C11	C16	C15	C14	0.1°	0.6°
C11	C16	C15	H16	179.9°	179.7°
C11	C16	C15	H15	180.0°	180.0°
C16	C11	C	O	19.8°	180.0°
C16	C11	C	N	160.2°	0.1°
C	C11	C12	C13	179.9°	179.9°
C	C11	C12	H12	0.2°	0.0°
C	C11	C16	C15	179.2°	179.7°
C	C11	C16	H16	0.8°	0.1°
C11	C	O	N	180.0°	179.9°
C11	C	N	CA	159.9°	179.9°
C11	C	N	HN	20.1°	0.0°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.6°	0.3°
H12	C12	C13	C14	178.0°	180.0°
H12	C12	C13	H13	1.9°	0.1°
C13	C14	C15	C16	0.3°	0.6°
C13	C14	C15	H15	179.7°	180.0°
H13	C13	C14	C15	179.4°	179.8°
C14	C15	C16	H15	179.9°	179.4°
C14	C15	C16	H16	179.9°	179.7°
H15	C15	C16	H16	0.0°	0.3°
O	C	N	CA	20.1°	0.0°
O	C	N	HN	159.8°	180.0°
C	N	CA	HN	180.0°	180.0°
C	N	CA	CB	75.9°	150.0°
C	N	CA	CT	155.9°	90.0°
C	N	CA	HA	40.1°	30.0°
N	CA	CB	CT	122.6°	120.0°
N	CA	CB	HA	122.4°	120.0°
N	CA	CT	HA	122.4°	120.0°
N	CA	CB	CG	113.6°	60.0°
N	CA	CB	HB1	121.2°	60.0°
N	CA	CB	HB2	11.6°	180.0°
N	CA	CT	O1	10.4°	150.0°
N	CA	CT	O2	165.7°	30.0°
HN	N	CA	CB	104.0°	30.0°
HN	N	CA	CT	24.1°	90.0°
HN	N	CA	HA	139.9°	150.0°
CB	CA	CT	HA	115.2°	120.0°
CA	CB	CG	HB1	125.3°	120.0°
CA	CB	CG	HB2	125.2°	120.0°
CA	CB	HB1	HB2	115.0°	120.0°
CA	CB	CG	CD	134.7°	180.0°
CA	CB	CG	HG1	9.5°	60.0°
CA	CB	CG	HG2	100.0°	60.0°
CB	CA	CT	O1	112.1°	90.0°
CB	CA	CT	O2	71.8°	90.0°
CT	CA	CB	CG	9.0°	180.0°
CT	CA	CB	HB1	116.2°	60.0°
CT	CA	CB	HB2	134.2°	60.1°
CA	CT	O1	O2	176.3°	180.0°
CA	CT	O2	HO2	180.0°	180.0°
HA	CA	CB	CG	124.0°	60.0°
HA	CA	CB	HB1	1.2°	180.0°
HA	CA	CB	HB2	110.7°	60.0°
HA	CA	CT	O1	132.8°	30.0°
HA	CA	CT	O2	43.4°	150.0°
CG	CB	HB1	HB2	114.9°	119.9°
CB	CG	CD	HG1	125.3°	120.0°
CB	CG	CD	HG2	125.3°	120.0°
CB	CG	HG1	HG2	117.0°	120.0°
CB	CG	CD	OE1	16.5°	0.0°
CB	CG	CD	OE2	162.4°	180.0°
HB1	CB	CG	CD	100.0°	60.0°
HB1	CB	CG	HG1	134.8°	180.0°
HB1	CB	CG	HG2	25.3°	60.0°
HB2	CB	CG	CD	9.5°	60.0°
HB2	CB	CG	HG1	115.7°	60.0°
HB2	CB	CG	HG2	134.8°	180.0°
CD	CG	HG1	HG2	116.9°	120.0°
CG	CD	OE1	OE2	178.9°	180.0°
CG	CD	OE2	HOE2	180.0°	180.0°
HG1	CG	CD	OE1	141.8°	120.0°
HG1	CG	CD	OE2	37.1°	60.0°
HG2	CG	CD	OE1	108.7°	120.0°
HG2	CG	CD	OE2	72.3°	60.0°
OE1	CD	OE2	HOE2	1.1°	0.0°
O1	CT	O2	HO2	3.7°	0.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	EBI
Replaced by:	MOT
Derived from:	1DAJ