TTR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CM	CA	sing	1.53Å	1.55Å
CM	CL	sing	1.51Å	1.54Å
CM	HM1	sing	1.09Å	1.10Å
CM	HM2	sing	1.09Å	1.10Å
CA	CB	sing	1.53Å	1.55Å
CA	HA1	sing	1.09Å	1.10Å
CA	HA2	sing	1.09Å	1.10Å
CB	CG	sing	1.51Å	1.50Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CG	CD1	doub	1.37Å	1.34Å	Aromatic
CG	CD2	sing	1.41Å	1.46Å	Aromatic
CD1	NE1	sing	1.38Å	1.38Å	Aromatic
CD1	CL	sing	1.42Å	1.38Å
CD2	CE2	sing	1.41Å	1.42Å	Aromatic
CD2	CE3	doub	1.40Å	1.41Å	Aromatic
NE1	CJ1	sing	1.35Å	1.33Å
NE1	CE2	sing	1.38Å	1.38Å	Aromatic
CJ1	OJ1	doub	1.21Å	1.23Å
CJ1	CN1	sing	1.51Å	1.53Å
CN1	HN1	sing	1.09Å	1.10Å
CN1	HN2	sing	1.09Å	1.10Å
CN1	HN3	sing	1.09Å	1.10Å
CE2	CZ2	doub	1.39Å	1.40Å	Aromatic
CE3	CZ3	sing	1.36Å	1.40Å	Aromatic
CE3	HE3	sing	1.08Å	1.08Å
CZ2	CH2	sing	1.38Å	1.40Å	Aromatic
CZ2	HZ2	sing	1.08Å	1.08Å
CZ3	CH2	doub	1.39Å	1.40Å	Aromatic
CZ3	HZ3	sing	1.08Å	1.08Å
CH2	HH2	sing	1.08Å	1.08Å
CL	OL	doub	1.21Å	1.23Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	CM	CL	112.3°	110.1°
CA	CM	HM1	107.9°	109.3°
CA	CM	HM2	108.5°	109.3°
CM	CA	CB	111.3°	110.3°
CM	CA	HA1	108.4°	109.3°
CM	CA	HA2	108.9°	109.3°
CL	CM	HM1	107.9°	109.4°
CL	CM	HM2	108.5°	109.4°
CM	CL	CD1	119.0°	117.8°
CM	CL	OL	120.5°	121.1°
HM1	CM	HM2	111.7°	109.3°
CB	CA	HA1	108.4°	109.4°
CB	CA	HA2	108.9°	109.3°
CA	CB	CG	110.6°	108.1°
CA	CB	HB1	108.9°	109.8°
CA	CB	HB2	109.1°	109.8°
HA1	CA	HA2	110.9°	109.2°
CG	CB	HB1	108.9°	109.7°
CG	CB	HB2	109.1°	109.7°
CB	CG	CD1	123.5°	122.8°
CB	CG	CD2	130.0°	129.1°
HB1	CB	HB2	110.3°	109.8°
CD1	CG	CD2	106.5°	108.1°
CG	CD1	NE1	109.6°	108.9°
CG	CD1	CL	123.9°	122.0°
CG	CD2	CE2	108.3°	106.8°
CG	CD2	CE3	133.5°	133.7°
NE1	CD1	CL	126.5°	129.0°
CD1	NE1	CJ1	125.0°	125.7°
CD1	NE1	CE2	111.1°	108.5°
CD1	CL	OL	120.5°	121.1°
CE2	CD2	CE3	118.2°	119.5°
CD2	CE2	NE1	104.5°	107.6°
CD2	CE2	CZ2	121.6°	119.5°
CD2	CE3	CZ3	120.4°	120.0°
CD2	CE3	HE3	119.8°	120.0°
CJ1	NE1	CE2	123.9°	125.7°
NE1	CJ1	OJ1	119.9°	120.0°
NE1	CJ1	CN1	119.8°	120.0°
NE1	CE2	CZ2	133.9°	132.9°
OJ1	CJ1	CN1	119.8°	120.0°
CJ1	CN1	HN1	109.5°	109.5°
CJ1	CN1	HN2	109.5°	109.5°
CJ1	CN1	HN3	109.5°	109.4°
HN1	CN1	HN2	109.5°	109.5°
HN1	CN1	HN3	109.4°	109.5°
HN2	CN1	HN3	109.5°	109.5°
CE2	CZ2	CH2	119.5°	119.9°
CE2	CZ2	HZ2	120.3°	120.0°
CZ3	CE3	HE3	119.8°	120.0°
CE3	CZ3	CH2	120.4°	120.6°
CE3	CZ3	HZ3	119.8°	119.7°
CH2	CZ2	HZ2	120.2°	120.1°
CZ2	CH2	CZ3	120.0°	120.6°
CZ2	CH2	HH2	120.0°	119.7°
CH2	CZ3	HZ3	119.8°	119.7°
CZ3	CH2	HH2	120.0°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	CM	CL	HM1	118.7°	120.2°
CA	CM	CL	HM2	120.0°	120.2°
CA	CM	HM1	HM2	119.2°	119.6°
CM	CA	CB	HA1	119.2°	120.3°
CM	CA	CB	HA2	120.0°	120.2°
CM	CA	HA1	HA2	119.5°	119.6°
CM	CA	CB	CG	46.7°	55.2°
CM	CA	CB	HB1	166.2°	174.9°
CM	CA	CB	HB2	73.3°	64.4°
CA	CM	CL	CD1	24.8°	32.2°
CA	CM	CL	OL	155.3°	148.0°
CL	CM	HM1	HM2	119.2°	119.7°
CL	CM	CA	CB	47.5°	59.3°
CL	CM	CA	HA1	71.7°	61.0°
CL	CM	CA	HA2	167.5°	179.5°
CM	CL	CD1	CG	0.4°	2.6°
CM	CL	CD1	NE1	179.6°	178.4°
CM	CL	CD1	OL	179.9°	179.8°
HM1	CM	CA	CB	71.3°	179.5°
HM1	CM	CA	HA1	169.5°	59.2°
HM1	CM	CA	HA2	48.7°	60.3°
HM1	CM	CL	CD1	93.9°	152.4°
HM1	CM	CL	OL	85.9°	27.8°
HM2	CM	CA	CB	167.5°	60.9°
HM2	CM	CA	HA1	48.3°	178.8°
HM2	CM	CA	HA2	72.5°	59.3°
HM2	CM	CL	CD1	144.8°	88.0°
HM2	CM	CL	OL	35.3°	91.9°
CB	CA	HA1	HA2	119.5°	119.6°
CA	CB	CG	HB1	119.5°	119.7°
CA	CB	CG	HB2	120.0°	119.7°
CA	CB	HB1	HB2	119.7°	120.8°
CA	CB	CG	CD1	24.5°	26.4°
CA	CB	CG	CD2	155.8°	153.4°
HA1	CA	CB	CG	72.5°	65.0°
HA1	CA	CB	HB1	47.0°	54.6°
HA1	CA	CB	HB2	167.5°	175.3°
HA2	CA	CB	CG	166.7°	175.5°
HA2	CA	CB	HB1	73.8°	64.9°
HA2	CA	CB	HB2	46.7°	55.8°
CG	CB	HB1	HB2	119.7°	120.6°
CB	CG	CD1	CD2	179.8°	179.9°
CB	CG	CD1	NE1	179.8°	178.9°
CB	CG	CD1	CL	0.5°	0.2°
CB	CG	CD2	CE2	179.9°	179.2°
CB	CG	CD2	CE3	0.1°	0.8°
HB1	CB	CG	CD1	144.1°	146.1°
HB1	CB	CG	CD2	36.2°	33.8°
HB2	CB	CG	CD1	95.5°	93.3°
HB2	CB	CG	CD2	84.3°	86.9°
CG	CD1	NE1	CL	179.3°	179.1°
CD1	CG	CD2	CE2	0.2°	0.7°
CD1	CG	CD2	CE3	179.8°	179.4°
CG	CD1	NE1	CJ1	179.7°	179.5°
CG	CD1	NE1	CE2	0.5°	0.8°
CG	CD1	CL	OL	179.7°	177.6°
CD2	CG	CD1	NE1	0.4°	0.9°
CD2	CG	CD1	CL	179.7°	179.9°
CG	CD2	CE2	CE3	180.0°	179.9°
CG	CD2	CE2	NE1	0.2°	0.2°
CG	CD2	CE2	CZ2	179.5°	179.8°
CG	CD2	CE3	CZ3	179.9°	179.8°
CG	CD2	CE3	HE3	0.0°	0.2°
CD1	NE1	CE2	CD2	0.4°	0.4°
CD1	NE1	CJ1	CE2	179.7°	179.7°
CD1	NE1	CJ1	OJ1	76.1°	0.3°
CD1	NE1	CJ1	CN1	95.6°	179.7°
CD1	NE1	CE2	CZ2	179.2°	179.7°
NE1	CD1	CL	OL	0.5°	1.4°
CL	CD1	NE1	CJ1	0.5°	0.4°
CL	CD1	NE1	CE2	179.8°	179.9°
CD2	CE2	NE1	CJ1	179.9°	179.9°
CD2	CE2	NE1	CZ2	179.6°	179.9°
CE2	CD2	CE3	CZ3	0.1°	0.1°
CE2	CD2	CE3	HE3	179.9°	179.9°
CD2	CE2	CZ2	CH2	1.1°	0.1°
CD2	CE2	CZ2	HZ2	178.9°	179.9°
CE3	CD2	CE2	NE1	179.9°	179.9°
CE3	CD2	CE2	CZ2	0.4°	0.2°
CD2	CE3	CZ3	HE3	180.0°	180.0°
CD2	CE3	CZ3	CH2	0.0°	0.0°
CD2	CE3	CZ3	HZ3	180.0°	179.9°
NE1	CJ1	OJ1	CN1	171.8°	180.0°
NE1	CJ1	CN1	HN1	157.3°	180.0°
NE1	CJ1	CN1	HN2	82.7°	60.0°
NE1	CJ1	CN1	HN3	37.3°	60.0°
CJ1	NE1	CE2	CZ2	0.5°	0.0°
CE2	NE1	CJ1	OJ1	104.2°	180.0°
CE2	NE1	CJ1	CN1	84.0°	0.1°
NE1	CE2	CZ2	CH2	179.3°	179.9°
NE1	CE2	CZ2	HZ2	0.7°	0.0°
OJ1	CJ1	CN1	HN1	14.5°	0.0°
OJ1	CJ1	CN1	HN2	105.5°	120.0°
OJ1	CJ1	CN1	HN3	134.4°	120.0°
CJ1	CN1	HN1	HN2	120.0°	120.0°
CJ1	CN1	HN1	HN3	120.0°	120.0°
CJ1	CN1	HN2	HN3	120.0°	120.0°
HN1	CN1	HN2	HN3	120.0°	120.0°
CE2	CZ2	CH2	HZ2	180.0°	180.0°
CE2	CZ2	CH2	CZ3	1.2°	0.0°
CE2	CZ2	CH2	HH2	178.8°	180.0°
CE3	CZ3	CH2	CZ2	0.7°	0.0°
CE3	CZ3	CH2	HZ3	180.0°	180.0°
CE3	CZ3	CH2	HH2	179.3°	179.9°
HE3	CE3	CZ3	CH2	179.9°	180.0°
HE3	CE3	CZ3	HZ3	0.0°	0.1°
CZ2	CH2	CZ3	HH2	180.0°	179.9°
CZ2	CH2	CZ3	HZ3	179.3°	180.0°
HZ2	CZ2	CH2	CZ3	178.7°	180.0°
HZ2	CZ2	CH2	HH2	1.3°	0.0°
HZ3	CZ3	CH2	HH2	0.7°	0.1°

Definition date:	2005-12-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2D82