CRG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	CA1	sing	1.47Å	1.46Å
N1	H	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
CA1	CB1	sing	1.53Å	1.54Å
CA1	C1	sing	1.51Å	1.47Å
CA1	HA1	sing	1.09Å	1.10Å
CB1	CG1	sing	1.53Å	1.47Å
CB1	OG1	sing	1.43Å	1.42Å
CB1	HB1	sing	1.09Å	1.10Å
CG1	HG11	sing	1.09Å	1.10Å
CG1	HG12	sing	1.09Å	1.10Å
CG1	HG13	sing	1.09Å	1.10Å
OG1	HG1O	sing	0.97Å	0.95Å
C1	N2	doub	1.30Å	1.32Å
C1	N3	sing	1.37Å	1.40Å
N2	CA2	sing	1.37Å	1.38Å
N3	C2	sing	1.35Å	1.38Å
N3	CA3	sing	1.46Å	1.46Å
C2	O2	doub	1.22Å	1.24Å
C2	CA2	sing	1.47Å	1.46Å
CA2	CB2	doub	1.38Å	1.39Å
CA3	C3	sing	1.51Å	1.49Å
CA3	HA31	sing	1.09Å	1.10Å
CA3	HA32	sing	1.09Å	1.10Å
C3	O3	doub	1.21Å	1.23Å
C3	OXT	sing	1.34Å	34.60Å
CB2	CG2	sing	1.46Å	1.41Å
CB2	HB2	sing	1.08Å	1.08Å
CG2	CD2	doub	1.38Å	1.35Å	Aromatic
CG2	ND1	sing	1.36Å	1.39Å	Aromatic
CD2	NE2	sing	1.36Å	1.39Å	Aromatic
CD2	HD2	sing	1.08Å	1.08Å
CE1	ND1	doub	1.30Å	1.32Å	Aromatic
CE1	NE2	sing	1.36Å	1.34Å	Aromatic
CE1	HE1	sing	1.08Å	1.08Å
NE2	HE2	sing	0.97Å	1.00Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA1	N1	H	109.5°	111.0°
CA1	N1	H2	109.5°	111.0°
N1	CA1	CB1	114.0°	109.5°
N1	CA1	C1	109.9°	109.5°
N1	CA1	HA1	106.7°	109.5°
H	N1	H2	109.5°	111.0°
CB1	CA1	C1	111.7°	109.5°
CB1	CA1	HA1	104.8°	109.5°
CA1	CB1	CG1	110.1°	109.5°
CA1	CB1	OG1	111.3°	109.5°
CA1	CB1	HB1	107.0°	109.5°
C1	CA1	HA1	109.4°	109.4°
CA1	C1	N2	126.9°	124.4°
CA1	C1	N3	121.8°	124.4°
CG1	CB1	OG1	106.8°	109.4°
CG1	CB1	HB1	111.4°	109.5°
CB1	CG1	HG11	109.5°	109.5°
CB1	CG1	HG12	109.5°	109.4°
CB1	CG1	HG13	109.4°	109.5°
OG1	CB1	HB1	110.3°	109.5°
CB1	OG1	HG1O	109.5°	114.1°
HG11	CG1	HG12	109.5°	109.4°
HG11	CG1	HG13	109.5°	109.5°
HG12	CG1	HG13	109.5°	109.5°
N2	C1	N3	111.3°	111.2°
C1	N2	CA2	105.9°	109.3°
C1	N3	C2	109.7°	108.4°
C1	N3	CA3	128.0°	125.8°
N2	CA2	C2	111.2°	105.7°
N2	CA2	CB2	123.2°	127.1°
C2	N3	CA3	122.1°	125.8°
N3	C2	O2	127.1°	127.3°
N3	C2	CA2	101.8°	105.3°
N3	CA3	C3	115.5°	109.5°
N3	CA3	HA31	107.5°	109.5°
N3	CA3	HA32	106.1°	109.5°
O2	C2	CA2	130.4°	127.3°
C2	CA2	CB2	125.6°	127.2°
CA2	CB2	CG2	127.9°	120.0°
CA2	CB2	HB2	116.0°	120.0°
C3	CA3	HA31	107.5°	109.5°
C3	CA3	HA32	106.2°	109.4°
CA3	C3	O3	119.9°	120.0°
CA3	C3	OXT	133.1°	120.0°
HA31	CA3	HA32	114.3°	109.5°
O3	C3	OXT	54.1°	120.0°
C3	OXT	HXT	90.0°	117.0°
CG2	CB2	HB2	116.1°	120.0°
CB2	CG2	CD2	128.0°	126.3°
CB2	CG2	ND1	127.3°	126.4°
CD2	CG2	ND1	104.8°	107.3°
CG2	CD2	NE2	111.4°	106.5°
CG2	CD2	HD2	124.3°	126.7°
CG2	ND1	CE1	107.7°	109.0°
NE2	CD2	HD2	124.3°	126.7°
CD2	NE2	CE1	103.2°	107.8°
CD2	NE2	HE2	128.4°	126.1°
ND1	CE1	NE2	113.0°	109.4°
ND1	CE1	HE1	123.5°	125.2°
NE2	CE1	HE1	123.5°	125.3°
CE1	NE2	HE2	128.4°	126.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA1	N1	H	H2	120.0°	123.9°
N1	CA1	CB1	C1	125.4°	120.0°
N1	CA1	CB1	HA1	116.3°	120.0°
N1	CA1	C1	HA1	116.9°	120.0°
N1	CA1	CB1	CG1	55.9°	55.0°
N1	CA1	CB1	OG1	62.3°	65.0°
N1	CA1	CB1	HB1	177.1°	175.0°
N1	CA1	C1	N2	100.0°	35.0°
N1	CA1	C1	N3	78.4°	144.7°
H	N1	CA1	CB1	178.7°	59.9°
H	N1	CA1	C1	55.0°	60.1°
H	N1	CA1	HA1	63.5°	180.0°
H2	N1	CA1	CB1	61.3°	64.0°
H2	N1	CA1	C1	65.0°	176.0°
H2	N1	CA1	HA1	176.5°	56.1°
CB1	CA1	C1	HA1	115.5°	120.0°
CA1	CB1	CG1	OG1	120.9°	120.0°
CA1	CB1	CG1	HB1	118.5°	120.0°
CA1	CB1	OG1	HB1	118.6°	120.0°
CA1	CB1	CG1	HG11	11.1°	180.0°
CA1	CB1	CG1	HG12	108.9°	60.0°
CA1	CB1	CG1	HG13	131.1°	60.0°
CA1	CB1	OG1	HG1O	33.3°	180.0°
CB1	CA1	C1	N2	27.7°	85.0°
CB1	CA1	C1	N3	154.0°	95.2°
C1	CA1	CB1	CG1	178.7°	175.0°
C1	CA1	CB1	OG1	63.1°	55.0°
C1	CA1	CB1	HB1	57.5°	65.0°
CA1	C1	N2	N3	178.5°	179.8°
CA1	C1	N2	CA2	177.9°	180.0°
CA1	C1	N3	C2	179.9°	180.0°
CA1	C1	N3	CA3	4.3°	0.1°
HA1	CA1	CB1	CG1	60.4°	65.1°
HA1	CA1	CB1	OG1	178.6°	175.0°
HA1	CA1	CB1	HB1	60.8°	54.9°
HA1	CA1	C1	N2	143.2°	155.0°
HA1	CA1	C1	N3	38.5°	24.7°
CG1	CB1	OG1	HB1	121.2°	120.0°
CB1	CG1	HG11	HG12	120.0°	119.9°
CB1	CG1	HG11	HG13	120.0°	120.1°
CB1	CG1	HG12	HG13	120.0°	120.0°
CG1	CB1	OG1	HG1O	153.4°	60.0°
OG1	CB1	CG1	HG11	132.0°	60.0°
OG1	CB1	CG1	HG12	12.0°	180.0°
OG1	CB1	CG1	HG13	108.0°	60.0°
HB1	CB1	CG1	HG11	107.5°	60.0°
HB1	CB1	CG1	HG12	132.6°	60.0°
HB1	CB1	CG1	HG13	12.5°	180.0°
HB1	CB1	OG1	HG1O	85.3°	60.0°
HG11	CG1	HG12	HG13	120.0°	120.0°
N2	C1	N3	C2	1.3°	0.2°
N2	C1	N3	CA3	174.3°	179.7°
C1	N2	CA2	C2	2.3°	0.1°
C1	N2	CA2	CB2	175.9°	180.0°
N3	C1	N2	CA2	0.6°	0.2°
C1	N3	C2	CA3	175.9°	179.9°
C1	N3	C2	O2	173.1°	180.0°
C1	N3	C2	CA2	2.5°	0.1°
C1	N3	CA3	C3	97.2°	90.0°
C1	N3	CA3	HA31	142.8°	150.0°
C1	N3	CA3	HA32	20.1°	29.9°
N2	CA2	C2	N3	3.0°	0.0°
N2	CA2	C2	O2	173.1°	179.9°
N2	CA2	C2	CB2	178.1°	179.9°
N2	CA2	CB2	CG2	8.9°	0.1°
N2	CA2	CB2	HB2	171.1°	180.0°
N3	C2	O2	CA2	167.9°	179.8°
N3	C2	CA2	CB2	175.2°	179.9°
C2	N3	CA3	C3	87.7°	90.1°
C2	N3	CA3	HA31	32.3°	30.0°
C2	N3	CA3	HA32	155.0°	150.0°
CA3	N3	C2	O2	2.8°	0.0°
CA3	N3	C2	CA2	173.4°	179.8°
N3	CA3	C3	HA31	120.0°	120.0°
N3	CA3	C3	HA32	117.3°	120.0°
N3	CA3	HA31	HA32	117.5°	120.0°
N3	CA3	C3	O3	152.9°	0.0°
N3	CA3	C3	OXT	140.0°	180.0°
O2	C2	CA2	CB2	5.0°	0.0°
C2	CA2	CB2	CG2	169.1°	179.8°
C2	CA2	CB2	HB2	11.0°	0.1°
CA2	CB2	CG2	HB2	180.0°	180.0°
CA2	CB2	CG2	CD2	166.4°	180.0°
CA2	CB2	CG2	ND1	14.0°	0.3°
C3	CA3	HA31	HA32	117.5°	120.0°
CA3	C3	O3	OXT	123.8°	180.0°
CA3	C3	OXT	HXT	90.0°	179.9°
HA31	CA3	C3	O3	32.9°	120.0°
HA31	CA3	C3	OXT	100.0°	60.0°
HA32	CA3	C3	O3	89.8°	120.0°
HA32	CA3	C3	OXT	22.7°	60.0°
O3	C3	OXT	HXT	90.0°	0.0°
CB2	CG2	CD2	ND1	179.7°	179.7°
CB2	CG2	CD2	NE2	179.7°	179.9°
CB2	CG2	CD2	HD2	0.3°	0.1°
CB2	CG2	ND1	CE1	179.9°	180.0°
HB2	CB2	CG2	CD2	13.7°	0.0°
HB2	CB2	CG2	ND1	166.0°	179.7°
CG2	CD2	NE2	HD2	180.0°	180.0°
CD2	CG2	ND1	CE1	0.4°	0.2°
CG2	CD2	NE2	CE1	0.5°	0.1°
CG2	CD2	NE2	HE2	179.5°	180.0°
ND1	CG2	CD2	NE2	0.6°	0.2°
ND1	CG2	CD2	HD2	179.4°	179.8°
CG2	ND1	CE1	NE2	0.1°	0.1°
CG2	ND1	CE1	HE1	179.9°	180.0°
CD2	NE2	CE1	ND1	0.3°	0.0°
CD2	NE2	CE1	HE2	180.0°	179.9°
CD2	NE2	CE1	HE1	179.7°	179.9°
HD2	CD2	NE2	CE1	179.5°	179.9°
HD2	CD2	NE2	HE2	0.5°	0.0°
ND1	CE1	NE2	HE1	180.0°	179.9°
ND1	CE1	NE2	HE2	179.7°	179.9°
HE1	CE1	NE2	HE2	0.3°	0.0°

Definition date:	2002-02-20
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1KYP