TIG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.24Å
C	OXT	sing	1.34Å	1.43Å
N2	CA	sing	1.47Å	1.46Å
N2	C1	sing	1.47Å	1.33Å
C1	C2	sing	1.53Å	1.49Å
C1	H1	sing	1.09Å	1.10Å
N	C2	sing	1.47Å	1.44Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C2	H2B	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
CA	C	sing	1.51Å	1.56Å
CA	HA	sing	1.09Å	1.10Å
CB	CA	sing	1.53Å	1.57Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CG	CB	sing	1.51Å	1.53Å
CG	CD1	doub	1.34Å	1.38Å	Aromatic
CD1	HD1	sing	1.08Å	1.08Å
CD2	CG	sing	1.46Å	1.44Å	Aromatic
NE1	CD1	sing	1.37Å	1.38Å	Aromatic
NE1	HNE1	sing	0.97Å	1.00Å
CE2	CD2	sing	1.41Å	1.41Å	Aromatic
CE2	NE1	sing	1.38Å	1.37Å	Aromatic
CE3	CD2	doub	1.40Å	1.40Å	Aromatic
CE3	HE3	sing	1.08Å	1.08Å
CH2	CZ3	doub	1.39Å	1.40Å	Aromatic
CH2	CZ2	sing	1.38Å	1.37Å	Aromatic
CH2	HH2	sing	1.08Å	1.08Å
CZ2	CE2	doub	1.39Å	1.40Å	Aromatic
CZ2	HZ2	sing	1.08Å	1.08Å
CZ3	CE3	sing	1.37Å	1.39Å	Aromatic
CZ3	HZ3	sing	1.08Å	1.08Å
N2	H15	sing	1.01Å	1.00Å
C1	H16	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	OXT	120.5°	120.0°
O	C	CA	119.0°	120.0°
OXT	C	CA	120.5°	120.0°
C	OXT	HXT	109.5°	117.0°
CA	N2	C1	116.3°	111.0°
N2	CA	C	110.9°	109.5°
N2	CA	HA	108.7°	109.4°
N2	CA	CB	113.8°	109.5°
CA	N2	H15	107.3°	111.0°
N2	C1	C2	119.6°	109.5°
N2	C1	H1	106.2°	109.5°
C1	N2	H15	107.3°	111.0°
N2	C1	H16	106.2°	109.5°
C2	C1	H1	106.2°	109.5°
C1	C2	N	110.8°	109.5°
C1	C2	H2B	109.0°	109.5°
C1	C2	H2A	109.1°	109.4°
C2	C1	H16	106.2°	109.4°
H1	C1	H16	112.5°	109.5°
C2	N	H	109.5°	111.0°
C2	N	H2	109.4°	111.0°
N	C2	H2B	109.0°	109.5°
N	C2	H2A	109.0°	109.5°
H	N	H2	109.4°	111.0°
H2B	C2	H2A	109.9°	109.5°
C	CA	HA	104.1°	109.5°
C	CA	CB	117.5°	109.5°
HA	CA	CB	100.4°	109.4°
CA	CB	HB	107.2°	109.4°
CA	CB	HBA	107.2°	109.5°
CA	CB	CG	116.4°	109.5°
HB	CB	HBA	111.6°	109.5°
HB	CB	CG	107.2°	109.5°
HBA	CB	CG	107.2°	109.5°
CB	CG	CD1	127.3°	126.5°
CB	CG	CD2	126.7°	126.5°
CG	CD1	HD1	125.0°	125.1°
CD1	CG	CD2	106.0°	107.1°
CG	CD1	NE1	110.0°	109.9°
HD1	CD1	NE1	125.0°	125.0°
CG	CD2	CE2	107.4°	106.0°
CG	CD2	CE3	133.9°	134.1°
CD1	NE1	HNE1	125.5°	125.1°
CD1	NE1	CE2	109.0°	109.9°
HNE1	NE1	CE2	125.5°	125.1°
CD2	CE2	NE1	107.6°	107.1°
CE2	CD2	CE3	118.6°	119.9°
CD2	CE2	CZ2	122.5°	119.3°
NE1	CE2	CZ2	129.9°	133.5°
CD2	CE3	HE3	120.6°	120.1°
CD2	CE3	CZ3	118.7°	119.8°
HE3	CE3	CZ3	120.7°	120.1°
CZ3	CH2	CZ2	121.3°	120.6°
CZ3	CH2	HH2	119.3°	119.7°
CH2	CZ3	CE3	121.4°	120.5°
CH2	CZ3	HZ3	119.3°	119.7°
CZ2	CH2	HH2	119.3°	119.7°
CH2	CZ2	CE2	117.4°	119.8°
CH2	CZ2	HZ2	121.3°	120.2°
CE2	CZ2	HZ2	121.3°	120.0°
CE3	CZ3	HZ3	119.3°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	OXT	CA	180.0°	179.7°
O	C	CA	N2	144.7°	0.0°
O	C	CA	HA	27.9°	120.0°
O	C	CA	CB	82.0°	120.0°
O	C	OXT	HXT	0.0°	0.1°
OXT	C	CA	N2	35.3°	179.7°
OXT	C	CA	HA	152.1°	60.3°
OXT	C	CA	CB	98.0°	59.7°
CA	N2	C1	H15	120.0°	123.9°
CA	N2	C1	C2	176.2°	179.9°
CA	N2	C1	H1	63.8°	60.0°
N2	CA	C	HA	116.8°	120.0°
N2	CA	C	CB	133.3°	120.0°
N2	CA	HA	CB	119.7°	119.9°
N2	CA	CB	HB	109.2°	55.1°
N2	CA	CB	HBA	10.7°	175.0°
N2	CA	CB	CG	130.8°	65.0°
CA	N2	C1	H16	56.2°	60.0°
N2	C1	C2	H1	120.0°	120.0°
N2	C1	C2	H16	120.0°	120.0°
N2	C1	H1	H16	115.8°	120.0°
N2	C1	C2	N	47.0°	180.0°
N2	C1	C2	H2B	167.0°	60.0°
N2	C1	C2	H2A	73.0°	60.0°
C1	N2	CA	C	74.4°	85.0°
C1	N2	CA	HA	39.5°	35.1°
C1	N2	CA	CB	150.5°	155.0°
C2	C1	H1	H16	115.8°	120.0°
C1	C2	N	H2B	120.0°	120.0°
C1	C2	N	H2A	120.0°	120.0°
C1	C2	N	H	180.0°	56.0°
C1	C2	N	H2	60.0°	180.0°
C1	C2	H2B	H2A	119.5°	120.0°
C2	C1	N2	H15	56.2°	56.0°
H1	C1	C2	N	73.0°	60.0°
H1	C1	C2	H2B	47.0°	180.0°
H1	C1	C2	H2A	167.0°	60.0°
H1	C1	N2	H15	176.2°	176.1°
C2	N	H	H2	120.0°	124.0°
N	C2	H2B	H2A	119.4°	120.0°
N	C2	C1	H16	167.0°	60.0°
H	N	C2	H2B	60.0°	64.0°
H	N	C2	H2A	59.9°	176.0°
H2	N	C2	H2B	180.0°	60.0°
H2	N	C2	H2A	60.0°	60.0°
H2B	C2	C1	H16	73.0°	60.0°
H2A	C2	C1	H16	47.0°	180.0°
C	CA	HA	CB	122.0°	120.0°
C	CA	CB	HB	118.8°	65.0°
C	CA	CB	HBA	121.2°	55.0°
C	CA	CB	CG	1.2°	175.0°
C	CA	N2	H15	45.6°	39.0°
CA	C	OXT	HXT	179.9°	179.7°
HA	CA	CB	HB	6.8°	175.0°
HA	CA	CB	HBA	126.7°	65.0°
HA	CA	CB	CG	113.3°	55.0°
HA	CA	N2	H15	159.5°	159.0°
CA	CB	HB	HBA	117.1°	120.0°
CA	CB	HB	CG	125.7°	120.0°
CA	CB	HBA	CG	125.7°	120.0°
CA	CB	CG	CD1	71.8°	95.0°
CA	CB	CG	CD2	109.6°	84.7°
CB	CA	N2	H15	89.5°	81.1°
HB	CB	HBA	CG	117.1°	120.0°
HB	CB	CG	CD1	48.2°	145.0°
HB	CB	CG	CD2	130.3°	35.3°
HBA	CB	CG	CD1	168.2°	25.0°
HBA	CB	CG	CD2	10.4°	155.3°
CB	CG	CD1	CD2	178.8°	179.8°
CB	CG	CD1	HD1	0.6°	0.0°
CB	CG	CD1	NE1	179.4°	180.0°
CB	CG	CD2	CE2	179.7°	180.0°
CB	CG	CD2	CE3	0.4°	0.0°
CG	CD1	HD1	NE1	180.0°	179.9°
CG	CD1	NE1	HNE1	178.6°	180.0°
CD1	CG	CD2	CE2	1.5°	0.3°
CG	CD1	NE1	CE2	1.4°	0.2°
CD1	CG	CD2	CE3	178.5°	179.8°
HD1	CD1	CG	CD2	178.2°	179.8°
HD1	CD1	NE1	HNE1	1.5°	0.1°
HD1	CD1	NE1	CE2	178.6°	179.9°
CD2	CG	CD1	NE1	1.8°	0.3°
CG	CD2	CE2	CE3	179.9°	180.0°
CG	CD2	CE2	NE1	0.6°	0.2°
CG	CD2	CE3	HE3	0.6°	0.1°
CG	CD2	CE2	CZ2	179.8°	180.0°
CG	CD2	CE3	CZ3	179.4°	180.0°
CD1	NE1	HNE1	CE2	180.0°	179.8°
CD1	NE1	CE2	CD2	0.5°	0.0°
CD1	NE1	CE2	CZ2	179.0°	179.8°
HNE1	NE1	CE2	CD2	179.5°	179.8°
HNE1	NE1	CE2	CZ2	1.0°	0.0°
CD2	CE2	NE1	CZ2	179.5°	179.8°
CE2	CD2	CE3	HE3	179.3°	180.0°
CD2	CE2	CZ2	CH2	0.2°	0.0°
CD2	CE2	CZ2	HZ2	179.8°	180.0°
CE2	CD2	CE3	CZ3	0.7°	0.0°
NE1	CE2	CD2	CE3	179.3°	179.9°
NE1	CE2	CZ2	CH2	179.6°	179.8°
NE1	CE2	CZ2	HZ2	0.4°	0.2°
CD2	CE3	HE3	CZ3	180.0°	179.9°
CD2	CE3	CZ3	CH2	0.8°	0.0°
CE3	CD2	CE2	CZ2	0.2°	0.0°
CD2	CE3	CZ3	HZ3	179.2°	180.0°
HE3	CE3	CZ3	CH2	179.2°	179.9°
HE3	CE3	CZ3	HZ3	0.8°	0.0°
CZ3	CH2	CZ2	HH2	180.0°	180.0°
CZ3	CH2	CZ2	CE2	0.1°	0.0°
CZ3	CH2	CZ2	HZ2	179.9°	180.0°
CH2	CZ3	CE3	HZ3	180.0°	180.0°
CH2	CZ2	CE2	HZ2	180.0°	180.0°
CZ2	CH2	CZ3	CE3	0.4°	0.0°
CZ2	CH2	CZ3	HZ3	179.6°	180.0°
HH2	CH2	CZ2	CE2	179.9°	180.0°
HH2	CH2	CZ2	HZ2	0.1°	0.0°
HH2	CH2	CZ3	CE3	179.6°	180.0°
HH2	CH2	CZ3	HZ3	0.4°	0.1°
H15	N2	C1	H16	63.8°	63.9°

Definition date:	2010-10-14
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	3O3D