Obsolete: CQR

CQR was replaced with CR2 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA1	sing	1.47Å	1.47Å
N	HN1	sing	1.01Å	1.00Å
N	HN2	sing	1.01Å	1.00Å
CA1	C1	sing	1.51Å	1.51Å
CA1	HA11	sing	1.09Å	1.10Å
CA1	HA12	sing	1.09Å	1.10Å
C1	N2	doub	1.30Å	1.35Å
C1	N3	sing	1.37Å	1.34Å
N2	CA2	sing	1.37Å	1.36Å
N3	C2	sing	1.35Å	1.35Å
N3	CA3	sing	1.46Å	1.38Å
C2	O2	doub	1.22Å	1.29Å
C2	CA2	sing	1.47Å	1.39Å
CA2	CB2	doub	1.38Å	1.43Å
CA3	C	sing	1.51Å	1.51Å
CA3	HA31	sing	1.09Å	1.10Å
CA3	HA32	sing	1.09Å	1.10Å
CB2	CG2	sing	1.46Å	1.40Å
CB2	HB2	sing	1.08Å	1.08Å
CG2	CD1	doub	1.40Å	1.40Å	Aromatic
CG2	CD2	sing	1.40Å	1.40Å	Aromatic
CD1	CE1	sing	1.37Å	1.40Å	Aromatic
CD1	HD1	sing	1.08Å	1.08Å
CD2	CE2	doub	1.37Å	1.40Å	Aromatic
CD2	HD2	sing	1.08Å	1.08Å
CE1	CZ	doub	1.39Å	1.40Å	Aromatic
CE1	HE1	sing	1.08Å	1.08Å
CE2	CZ	sing	1.39Å	1.40Å	Aromatic
CE2	HE2	sing	1.08Å	1.08Å
CZ	OH	sing	1.36Å	1.37Å
OH	HOH	sing	0.97Å	0.95Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA1	N	HN1	109.4°	106.7°
CA1	N	HN2	109.5°	106.7°
N	CA1	C1	101.5°	109.5°
N	CA1	HA11	113.9°	109.5°
N	CA1	HA12	112.2°	109.4°
HN1	N	HN2	109.5°	106.7°
C1	CA1	HA11	113.9°	109.5°
C1	CA1	HA12	112.2°	109.5°
CA1	C1	N2	122.4°	124.3°
CA1	C1	N3	123.7°	124.3°
HA11	CA1	HA12	103.5°	109.4°
N2	C1	N3	113.8°	111.4°
C1	N2	CA2	101.3°	109.3°
C1	N3	C2	107.5°	108.4°
C1	N3	CA3	129.4°	125.8°
N2	CA2	C2	113.2°	105.7°
N2	CA2	CB2	125.0°	127.2°
C2	N3	CA3	123.2°	125.8°
N3	C2	O2	119.6°	127.4°
N3	C2	CA2	104.2°	105.2°
N3	CA3	C	125.5°	109.5°
N3	CA3	HA31	100.6°	109.5°
N3	CA3	HA32	104.4°	109.5°
O2	C2	CA2	136.0°	127.4°
C2	CA2	CB2	121.7°	127.1°
CA2	CB2	CG2	130.7°	120.0°
CA2	CB2	HB2	114.7°	120.0°
C	CA3	HA31	100.7°	109.5°
C	CA3	HA32	104.4°	109.5°
CA3	C	O	113.1°	120.0°
CA3	C	OXT	120.9°	120.0°
HA31	CA3	HA32	123.2°	109.5°
CG2	CB2	HB2	114.6°	120.0°
CB2	CG2	CD1	123.3°	120.1°
CB2	CG2	CD2	111.5°	120.1°
CD1	CG2	CD2	125.2°	119.7°
CG2	CD1	CE1	121.6°	119.9°
CG2	CD1	HD1	119.2°	120.1°
CG2	CD2	CE2	112.8°	119.8°
CG2	CD2	HD2	123.6°	120.0°
CE1	CD1	HD1	119.2°	120.1°
CD1	CE1	CZ	113.9°	120.1°
CD1	CE1	HE1	123.1°	119.9°
CE2	CD2	HD2	123.6°	120.1°
CD2	CE2	CZ	122.5°	120.2°
CD2	CE2	HE2	118.7°	119.9°
CZ	CE1	HE1	123.1°	119.9°
CE1	CZ	CE2	124.0°	120.3°
CE1	CZ	OH	122.0°	119.9°
CZ	CE2	HE2	118.7°	119.9°
CE2	CZ	OH	114.0°	119.9°
CZ	OH	HOH	109.5°	106.8°
O	C	OXT	125.8°	120.0°
C	OXT	HXT	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA1	N	HN1	HN2	120.0°	113.8°
N	CA1	C1	HA11	122.8°	120.0°
N	CA1	C1	HA12	120.0°	120.0°
N	CA1	HA11	HA12	122.1°	119.9°
N	CA1	C1	N2	89.3°	0.1°
N	CA1	C1	N3	86.7°	179.7°
HN1	N	CA1	C1	105.4°	180.0°
HN1	N	CA1	HA11	131.8°	60.0°
HN1	N	CA1	HA12	14.6°	60.0°
HN2	N	CA1	C1	134.6°	66.2°
HN2	N	CA1	HA11	11.8°	53.8°
HN2	N	CA1	HA12	105.4°	173.8°
C1	CA1	HA11	HA12	122.1°	120.0°
CA1	C1	N2	N3	176.3°	179.7°
CA1	C1	N2	CA2	177.7°	180.0°
CA1	C1	N3	C2	179.0°	179.9°
CA1	C1	N3	CA3	2.2°	0.2°
HA11	CA1	C1	N2	33.6°	120.0°
HA11	CA1	C1	N3	150.4°	59.7°
HA12	CA1	C1	N2	150.7°	120.0°
HA12	CA1	C1	N3	33.3°	60.3°
N2	C1	N3	C2	2.7°	0.4°
N2	C1	N3	CA3	178.5°	179.9°
C1	N2	CA2	C2	0.6°	0.0°
C1	N2	CA2	CB2	179.5°	180.0°
N3	C1	N2	CA2	1.3°	0.2°
C1	N3	C2	CA3	178.8°	179.7°
C1	N3	C2	O2	178.8°	179.9°
C1	N3	C2	CA2	2.8°	0.3°
C1	N3	CA3	C	91.1°	90.4°
C1	N3	CA3	HA31	20.4°	29.6°
C1	N3	CA3	HA32	149.0°	149.6°
N2	CA2	C2	N3	2.1°	0.2°
N2	CA2	C2	O2	177.2°	180.0°
N2	CA2	C2	CB2	179.0°	179.9°
N2	CA2	CB2	CG2	0.1°	5.3°
N2	CA2	CB2	HB2	179.9°	174.8°
N3	C2	O2	CA2	174.4°	179.8°
N3	C2	CA2	CB2	178.9°	179.7°
C2	N3	CA3	C	87.5°	89.9°
C2	N3	CA3	HA31	161.1°	150.1°
C2	N3	CA3	HA32	32.5°	30.1°
CA3	N3	C2	O2	2.4°	0.1°
CA3	N3	C2	CA2	178.4°	180.0°
N3	CA3	C	HA31	111.4°	120.0°
N3	CA3	C	HA32	120.0°	120.0°
N3	CA3	HA31	HA32	115.2°	120.0°
N3	CA3	C	O	156.5°	0.0°
N3	CA3	C	OXT	18.6°	180.0°
O2	C2	CA2	CB2	3.9°	0.1°
C2	CA2	CB2	CG2	178.7°	174.8°
C2	CA2	CB2	HB2	1.3°	5.1°
CA2	CB2	CG2	HB2	180.0°	180.0°
CA2	CB2	CG2	CD1	0.6°	6.0°
CA2	CB2	CG2	CD2	179.9°	174.2°
C	CA3	HA31	HA32	115.2°	120.0°
CA3	C	O	OXT	174.8°	179.9°
CA3	C	OXT	HXT	174.5°	180.0°
HA31	CA3	C	O	92.0°	120.0°
HA31	CA3	C	OXT	92.9°	60.0°
HA32	CA3	C	O	36.5°	120.0°
HA32	CA3	C	OXT	138.6°	60.0°
CB2	CG2	CD1	CD2	179.2°	179.8°
CB2	CG2	CD1	CE1	179.7°	180.0°
CB2	CG2	CD1	HD1	0.4°	0.0°
CB2	CG2	CD2	CE2	180.0°	179.8°
CB2	CG2	CD2	HD2	0.0°	0.2°
HB2	CB2	CG2	CD1	179.4°	174.0°
HB2	CB2	CG2	CD2	0.1°	5.7°
CG2	CD1	CE1	HD1	180.0°	180.0°
CD1	CG2	CD2	CE2	0.8°	0.5°
CD1	CG2	CD2	HD2	179.2°	180.0°
CG2	CD1	CE1	CZ	0.5°	0.0°
CG2	CD1	CE1	HE1	179.5°	180.0°
CD2	CG2	CD1	CE1	0.5°	0.2°
CD2	CG2	CD1	HD1	179.5°	179.8°
CG2	CD2	CE2	HD2	180.0°	179.5°
CG2	CD2	CE2	CZ	1.1°	0.5°
CG2	CD2	CE2	HE2	178.9°	179.8°
CD1	CE1	CZ	HE1	180.0°	179.9°
CD1	CE1	CZ	CE2	0.9°	0.0°
CD1	CE1	CZ	OH	179.9°	180.0°
HD1	CD1	CE1	CZ	179.6°	180.0°
HD1	CD1	CE1	HE1	0.5°	0.0°
CD2	CE2	CZ	CE1	1.3°	0.3°
CD2	CE2	CZ	HE2	180.0°	179.7°
CD2	CE2	CZ	OH	179.4°	179.8°
HD2	CD2	CE2	CZ	178.9°	180.0°
HD2	CD2	CE2	HE2	1.1°	0.2°
CE1	CZ	CE2	OH	179.3°	179.9°
CE1	CZ	CE2	HE2	178.7°	180.0°
CE1	CZ	OH	HOH	6.2°	90.1°
HE1	CE1	CZ	CE2	179.1°	180.0°
HE1	CE1	CZ	OH	0.1°	0.1°
CE2	CZ	OH	HOH	174.5°	90.0°
HE2	CE2	CZ	OH	0.6°	0.0°
O	C	OXT	HXT	0.0°	0.1°

Definition date:	2006-03-08
Last modified:	2009-09-09
Release status:	OBS
Processing site:	RCSB
Replaced by:	CR2
Derived from:	2G6X