TYN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.46Å
N	H	sing	1.01Å	1.02Å
N	H2	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.53Å
CA	C	sing	1.51Å	1.53Å
CA	HA	sing	1.09Å	1.12Å
CB	CG	sing	1.51Å	1.52Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.11Å
CG	CD1	doub	1.38Å	1.40Å	Aromatic
CG	CD2	sing	1.38Å	1.40Å	Aromatic
CD1	CE1	sing	1.38Å	1.40Å	Aromatic
CD1	HD1	sing	1.08Å	1.10Å
CE1	CZ	doub	1.39Å	1.40Å	Aromatic
CE1	HE1	sing	1.08Å	1.10Å
CD2	CE2	doub	1.38Å	1.40Å	Aromatic
CD2	HD2	sing	1.08Å	1.10Å
CE2	CZ	sing	1.39Å	1.39Å	Aromatic
CE2	HE2	sing	1.08Å	1.10Å
CZ	OC	sing	1.36Å	1.39Å
OC	C5	sing	1.36Å	1.38Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å
O1	N1	sing	1.47Å	1.38Å
O1	N2	sing	1.47Å	1.38Å
N1	C1	sing	1.41Å	1.33Å
N1	HN1	sing	1.01Å	1.02Å
N2	C6	sing	1.41Å	1.31Å
N2	HN2	sing	1.01Å	1.02Å
N3	C2	sing	1.40Å	1.47Å
N3	HN31	sing	0.97Å	1.02Å
N3	HN32	sing	0.97Å	1.02Å
C1	C2	doub	1.39Å	1.44Å	Aromatic
C1	C6	sing	1.39Å	1.43Å	Aromatic
C2	C3	sing	1.39Å	1.35Å	Aromatic
C3	C4	doub	1.38Å	1.44Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.39Å	1.36Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.39Å	1.43Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	111.9°	106.7°
CA	N	H2	111.2°	106.7°
N	CA	CB	111.9°	109.5°
N	CA	C	106.4°	109.5°
N	CA	HA	110.1°	109.4°
H	N	H2	111.3°	106.8°
CB	CA	C	109.7°	109.5°
CB	CA	HA	106.7°	109.5°
CA	CB	CG	113.2°	109.5°
CA	CB	HB2	110.9°	109.5°
CA	CB	HB3	110.9°	109.5°
C	CA	HA	112.2°	109.5°
CA	C	O	120.7°	120.0°
CA	C	OXT	116.0°	120.0°
CG	CB	HB2	110.8°	109.5°
CG	CB	HB3	110.8°	109.5°
CB	CG	CD1	121.9°	119.9°
CB	CG	CD2	120.1°	120.0°
HB2	CB	HB3	99.5°	109.4°
CD1	CG	CD2	118.0°	120.1°
CG	CD1	CE1	121.0°	120.0°
CG	CD1	HD1	119.5°	120.0°
CG	CD2	CE2	121.5°	120.1°
CG	CD2	HD2	119.3°	120.0°
CE1	CD1	HD1	119.5°	120.0°
CD1	CE1	CZ	119.8°	120.0°
CD1	CE1	HE1	120.2°	120.0°
CZ	CE1	HE1	120.0°	120.1°
CE1	CZ	CE2	119.8°	119.9°
CE1	CZ	OC	121.2°	120.0°
CE2	CD2	HD2	119.2°	119.9°
CD2	CE2	CZ	119.9°	119.9°
CD2	CE2	HE2	120.4°	120.0°
CZ	CE2	HE2	119.7°	120.1°
CE2	CZ	OC	119.0°	120.0°
CZ	OC	C5	120.4°	106.8°
OC	C5	C4	116.9°	119.9°
OC	C5	C6	124.8°	120.0°
O	C	OXT	123.3°	119.9°
C	OXT	HXT	116.0°	120.1°
N1	O1	N2	112.7°	103.3°
O1	N1	C1	104.4°	105.4°
O1	N1	HN1	114.1°	106.8°
O1	N2	C6	104.3°	105.3°
O1	N2	HN2	114.1°	106.7°
C1	N1	HN1	114.2°	106.7°
N1	C1	C2	133.0°	131.2°
N1	C1	C6	108.6°	109.1°
C6	N2	HN2	114.2°	106.6°
N2	C6	C1	109.9°	109.1°
N2	C6	C5	129.0°	131.1°
C2	N3	HN31	120.1°	120.0°
C2	N3	HN32	108.4°	120.0°
N3	C2	C1	120.1°	120.0°
N3	C2	C3	120.6°	119.9°
HN31	N3	HN32	108.4°	120.0°
C2	C1	C6	118.4°	119.7°
C1	C2	C3	119.3°	120.1°
C1	C6	C5	121.1°	119.8°
C2	C3	C4	121.6°	120.1°
C2	C3	H3	115.9°	120.0°
C4	C3	H3	122.5°	119.9°
C3	C4	C5	121.3°	120.1°
C3	C4	H4	122.4°	120.0°
C5	C4	H4	116.3°	119.9°
C4	C5	C6	118.3°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	125.2°	113.8°
N	CA	CB	C	117.8°	120.0°
N	CA	CB	HA	120.4°	120.0°
N	CA	C	HA	120.4°	119.9°
N	CA	CB	CG	178.4°	60.0°
N	CA	CB	HB2	56.4°	60.1°
N	CA	CB	HB3	53.1°	180.0°
N	CA	C	O	68.6°	30.0°
N	CA	C	OXT	110.6°	150.0°
H	N	CA	CB	180.0°	53.8°
H	N	CA	C	60.2°	173.8°
H	N	CA	HA	61.5°	66.2°
H2	N	CA	CB	54.8°	60.0°
H2	N	CA	C	174.6°	60.0°
H2	N	CA	HA	63.7°	180.0°
CB	CA	C	HA	118.4°	120.0°
CA	CB	CG	HB2	125.2°	120.1°
CA	CB	CG	HB3	125.3°	120.0°
CA	CB	HB2	HB3	116.8°	120.0°
CA	CB	CG	CD1	36.8°	90.0°
CA	CB	CG	CD2	143.2°	90.3°
CB	CA	C	O	52.6°	90.0°
CB	CA	C	OXT	128.2°	90.0°
C	CA	CB	CG	60.5°	180.0°
C	CA	CB	HB2	174.2°	60.0°
C	CA	CB	HB3	64.7°	60.0°
CA	C	O	OXT	179.2°	180.0°
CA	C	OXT	HXT	180.0°	179.9°
HA	CA	CB	CG	61.2°	60.0°
HA	CA	CB	HB2	64.0°	180.0°
HA	CA	CB	HB3	173.5°	60.0°
HA	CA	C	O	170.9°	150.0°
HA	CA	C	OXT	9.8°	30.0°
CG	CB	HB2	HB3	116.7°	119.9°
CB	CG	CD1	CD2	180.0°	179.7°
CB	CG	CD1	CE1	179.6°	180.0°
CB	CG	CD1	HD1	0.4°	0.0°
CB	CG	CD2	CE2	179.6°	179.7°
CB	CG	CD2	HD2	0.4°	0.3°
HB2	CB	CG	CD1	88.4°	30.0°
HB2	CB	CG	CD2	91.6°	149.7°
HB3	CB	CG	CD1	162.0°	150.0°
HB3	CB	CG	CD2	18.0°	29.8°
CG	CD1	CE1	HD1	180.0°	180.0°
CG	CD1	CE1	CZ	0.4°	0.0°
CG	CD1	CE1	HE1	179.6°	180.0°
CD1	CG	CD2	CE2	0.4°	0.5°
CD1	CG	CD2	HD2	179.6°	180.0°
CD2	CG	CD1	CE1	0.4°	0.3°
CD2	CG	CD1	HD1	179.6°	179.8°
CG	CD2	CE2	HD2	180.0°	179.5°
CG	CD2	CE2	CZ	0.4°	0.5°
CG	CD2	CE2	HE2	179.6°	179.7°
CD1	CE1	CZ	HE1	180.0°	179.9°
CD1	CE1	CZ	CE2	0.4°	0.0°
CD1	CE1	CZ	OC	179.4°	180.0°
HD1	CD1	CE1	CZ	179.6°	180.0°
HD1	CD1	CE1	HE1	0.4°	0.0°
CE1	CZ	CE2	CD2	0.4°	0.3°
CE1	CZ	CE2	OC	179.0°	180.0°
CE1	CZ	CE2	HE2	179.6°	180.0°
CE1	CZ	OC	C5	17.3°	94.8°
HE1	CE1	CZ	CE2	179.6°	179.9°
HE1	CE1	CZ	OC	0.6°	0.1°
CD2	CE2	CZ	HE2	180.0°	179.7°
CD2	CE2	CZ	OC	179.4°	179.7°
HD2	CD2	CE2	CZ	179.6°	180.0°
HD2	CD2	CE2	HE2	0.4°	0.3°
CE2	CZ	OC	C5	161.7°	85.2°
HE2	CE2	CZ	OC	0.6°	0.0°
CZ	OC	C5	C4	66.5°	5.6°
CZ	OC	C5	C6	114.4°	174.7°
OC	C5	C6	N2	1.4°	0.6°
OC	C5	C6	C1	179.6°	179.7°
OC	C5	C4	C3	179.8°	179.9°
OC	C5	C4	C6	179.2°	179.7°
OC	C5	C4	H4	0.2°	0.0°
O	C	OXT	HXT	0.8°	0.0°
O1	N1	C1	HN1	125.3°	113.3°
N1	O1	N2	C6	0.3°	27.0°
N1	O1	N2	HN2	124.9°	139.9°
O1	N1	C1	C2	179.3°	162.8°
O1	N1	C1	C6	1.0°	16.9°
N2	O1	N1	C1	0.5°	26.7°
N2	O1	N1	HN1	124.9°	140.0°
O1	N2	C6	HN2	125.2°	113.1°
O1	N2	C6	C1	1.0°	17.6°
O1	N2	C6	C5	179.3°	163.3°
N1	C1	C6	N2	1.3°	0.4°
N1	C1	C2	N3	1.4°	0.1°
N1	C1	C2	C6	178.1°	179.7°
N1	C1	C2	C3	179.4°	179.9°
N1	C1	C6	C5	179.8°	179.7°
HN1	N1	C1	C2	54.0°	49.5°
HN1	N1	C1	C6	124.3°	130.2°
N2	C6	C1	C2	179.9°	179.8°
N2	C6	C1	C5	178.5°	179.3°
N2	C6	C5	C4	179.5°	179.6°
HN2	N2	C6	C1	124.2°	130.7°
HN2	N2	C6	C5	54.1°	50.2°
C2	N3	HN31	HN32	125.3°	179.9°
N3	C2	C1	C3	179.3°	180.0°
N3	C2	C1	C6	179.5°	179.7°
N3	C2	C3	C4	179.8°	180.0°
N3	C2	C3	H3	0.2°	0.1°
HN31	N3	C2	C1	180.0°	180.0°
HN31	N3	C2	C3	0.8°	0.0°
HN32	N3	C2	C1	54.7°	0.1°
HN32	N3	C2	C3	126.1°	180.0°
C1	C2	C3	C4	0.6°	0.1°
C1	C2	C3	H3	179.4°	180.0°
C2	C1	C6	C5	1.7°	0.6°
C6	C1	C2	C3	1.3°	0.3°
C1	C6	C5	C4	1.3°	0.5°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.2°	0.1°
C2	C3	C4	H4	179.7°	180.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.6°	0.2°
H3	C3	C4	C5	179.7°	180.0°
H3	C3	C4	H4	0.3°	0.1°
H4	C4	C5	C6	179.4°	179.7°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1NBM