WCR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.39Å
CA1	C1	sing	1.53Å	1.56Å
C1	N3	sing	1.47Å	1.50Å
C1	N2	sing	1.47Å	1.54Å
CA1	N1	sing	1.47Å	1.47Å
N1	H	sing	1.01Å	1.00Å
O1	HO1	sing	0.97Å	0.95Å
N3	C2	sing	1.35Å	1.42Å
C2	CA2	sing	1.47Å	1.45Å
C2	O2	doub	1.22Å	1.22Å
N2	CA2	sing	1.40Å	1.39Å
N2	HN2	sing	0.97Å	1.00Å
OXT	C3	sing	1.34Å	1.33Å
O3	C3	doub	1.21Å	1.19Å
C3	CA3	sing	1.51Å	1.49Å
CA3	N3	sing	1.46Å	1.48Å
OXT	HXT	sing	0.97Å	0.95Å
CZ	OH	sing	1.36Å	1.40Å
OH	HOH	sing	0.97Å	0.95Å
CE2	CZ	doub	1.39Å	1.44Å	Aromatic
CZ	CE1	sing	1.39Å	1.40Å	Aromatic
CA1	HA1	sing	1.09Å	1.10Å
CA2	CB2	doub	1.35Å	1.40Å
CA3	HA31	sing	1.09Å	1.10Å
CA3	HA32	sing	1.09Å	1.10Å
CB2	CG2	sing	1.47Å	1.51Å
CB2	HB2	sing	1.08Å	1.08Å
CG2	CD1	sing	1.40Å	1.42Å	Aromatic
CD1	CE1	doub	1.38Å	1.44Å	Aromatic
CD1	HD1	sing	1.08Å	1.08Å
CD2	CG2	doub	1.40Å	1.43Å	Aromatic
CD2	CE2	sing	1.38Å	1.42Å	Aromatic
CD2	HD2	sing	1.08Å	1.08Å
CE1	HE1	sing	1.08Å	1.08Å
CE2	HE2	sing	1.08Å	1.08Å
N1	H2	sing	1.01Å	1.00Å
CA1	HA1A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	CA1	105.9°	110.0°
O1	C1	N3	111.8°	109.9°
O1	C1	N2	115.9°	109.9°
C1	O1	HO1	109.5°	114.0°
CA1	C1	N3	108.7°	110.0°
CA1	C1	N2	110.2°	110.0°
C1	CA1	N1	121.7°	109.5°
C1	CA1	HA1	105.6°	109.4°
C1	CA1	HA1A	105.6°	109.5°
N3	C1	N2	104.2°	106.9°
C1	N3	C2	107.8°	108.5°
C1	N3	CA3	134.3°	125.7°
C1	N2	CA2	103.5°	106.7°
C1	N2	HN2	111.5°	126.7°
CA1	N1	H	109.5°	111.0°
N1	CA1	HA1	105.6°	109.5°
CA1	N1	H2	109.5°	111.0°
N1	CA1	HA1A	105.6°	109.5°
H	N1	H2	109.5°	110.9°
N3	C2	CA2	106.9°	109.5°
N3	C2	O2	122.0°	125.2°
C2	N3	CA3	118.0°	125.7°
CA2	C2	O2	124.7°	125.3°
C2	CA2	N2	111.2°	108.3°
C2	CA2	CB2	118.8°	125.8°
CA2	N2	HN2	111.5°	126.6°
N2	CA2	CB2	129.2°	125.9°
OXT	C3	O3	129.9°	120.0°
OXT	C3	CA3	113.6°	120.0°
C3	OXT	HXT	109.5°	117.0°
O3	C3	CA3	116.4°	120.0°
C3	CA3	N3	114.5°	109.5°
C3	CA3	HA31	107.9°	109.5°
C3	CA3	HA32	107.8°	109.5°
N3	CA3	HA31	107.8°	109.5°
N3	CA3	HA32	107.9°	109.4°
CZ	OH	HOH	109.5°	114.0°
OH	CZ	CE2	119.3°	119.8°
OH	CZ	CE1	119.9°	119.9°
CE2	CZ	CE1	120.7°	120.3°
CZ	CE2	CD2	120.0°	120.1°
CZ	CE2	HE2	120.0°	119.9°
CZ	CE1	CD1	119.6°	120.1°
CZ	CE1	HE1	120.2°	120.0°
HA1	CA1	HA1A	113.1°	109.5°
CA2	CB2	CG2	129.2°	120.0°
CA2	CB2	HB2	115.4°	120.0°
HA31	CA3	HA32	111.0°	109.5°
CG2	CB2	HB2	115.4°	120.0°
CB2	CG2	CD1	116.9°	120.1°
CB2	CG2	CD2	122.7°	120.1°
CG2	CD1	CE1	119.9°	119.9°
CG2	CD1	HD1	120.1°	120.0°
CD1	CG2	CD2	120.4°	119.8°
CE1	CD1	HD1	120.1°	120.1°
CD1	CE1	HE1	120.2°	119.9°
CG2	CD2	CE2	119.4°	119.9°
CG2	CD2	HD2	120.3°	120.1°
CE2	CD2	HD2	120.3°	120.0°
CD2	CE2	HE2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	CA1	N3	120.3°	121.3°
O1	C1	CA1	N2	126.1°	121.3°
O1	C1	N3	N2	125.9°	119.3°
O1	C1	CA1	N1	158.8°	58.7°
O1	C1	N3	C2	111.3°	119.3°
O1	C1	N2	CA2	99.4°	119.3°
O1	C1	N2	HN2	20.6°	60.7°
O1	C1	N3	CA3	70.6°	60.7°
O1	C1	CA1	HA1	81.2°	61.3°
O1	C1	CA1	HA1A	38.8°	178.7°
CA1	C1	N3	N2	117.5°	119.4°
C1	CA1	N1	HA1	120.0°	120.0°
C1	CA1	N1	HA1A	120.0°	120.0°
C1	CA1	N1	H	180.0°	56.1°
CA1	C1	O1	HO1	180.0°	58.7°
CA1	C1	N3	C2	132.2°	119.4°
CA1	C1	N2	CA2	140.4°	119.4°
CA1	C1	N2	HN2	99.6°	60.6°
CA1	C1	N3	CA3	46.0°	60.6°
C1	CA1	HA1	HA1A	114.9°	120.0°
C1	CA1	N1	H2	60.0°	179.9°
N3	C1	CA1	N1	38.5°	180.0°
N3	C1	O1	HO1	61.8°	180.0°
C1	N3	C2	CA3	178.5°	180.0°
C1	N3	C2	CA2	0.2°	0.0°
C1	N3	C2	O2	153.0°	179.9°
N3	C1	N2	CA2	23.9°	0.0°
N3	C1	N2	HN2	143.9°	180.0°
C1	N3	CA3	C3	87.5°	90.0°
N3	C1	CA1	HA1	158.5°	60.0°
C1	N3	CA3	HA31	32.5°	30.0°
C1	N3	CA3	HA32	152.5°	150.0°
N3	C1	CA1	HA1A	81.5°	60.0°
N2	C1	CA1	N1	75.1°	62.5°
N2	C1	O1	HO1	57.4°	62.6°
N2	C1	N3	C2	14.7°	0.0°
C1	N2	CA2	C2	25.2°	0.0°
C1	N2	CA2	HN2	120.0°	180.0°
N2	C1	N3	CA3	163.5°	180.0°
N2	C1	CA1	HA1	44.9°	177.5°
C1	N2	CA2	CB2	165.5°	180.0°
N2	C1	CA1	HA1A	164.9°	57.5°
CA1	N1	H	H2	120.0°	123.9°
N1	CA1	HA1	HA1A	115.0°	120.0°
H	N1	CA1	HA1	60.0°	63.9°
H	N1	CA1	HA1A	60.1°	176.1°
N3	C2	CA2	O2	152.2°	179.9°
N3	C2	CA2	N2	16.6°	0.0°
C2	N3	CA3	C3	94.5°	90.0°
N3	C2	CA2	CB2	172.9°	180.0°
C2	N3	CA3	HA31	145.5°	150.0°
C2	N3	CA3	HA32	25.5°	30.0°
C2	CA2	N2	CB2	169.2°	180.0°
C2	CA2	N2	HN2	145.2°	180.0°
CA2	C2	N3	CA3	178.4°	180.0°
C2	CA2	CB2	CG2	167.8°	172.2°
C2	CA2	CB2	HB2	12.2°	7.9°
O2	C2	CA2	N2	168.9°	179.9°
O2	C2	N3	CA3	28.5°	0.1°
O2	C2	CA2	CB2	20.7°	0.1°
N2	CA2	CB2	CG2	0.7°	7.8°
N2	CA2	CB2	HB2	179.3°	172.1°
HN2	N2	CA2	CB2	45.5°	0.0°
OXT	C3	O3	CA3	176.9°	179.9°
OXT	C3	CA3	N3	27.9°	180.0°
OXT	C3	CA3	HA31	92.1°	60.0°
OXT	C3	CA3	HA32	147.9°	60.0°
O3	C3	CA3	N3	149.5°	0.0°
O3	C3	OXT	HXT	0.0°	0.0°
O3	C3	CA3	HA31	90.5°	120.0°
O3	C3	CA3	HA32	29.5°	119.9°
C3	CA3	N3	HA31	120.0°	120.0°
C3	CA3	N3	HA32	120.0°	120.0°
CA3	C3	OXT	HXT	176.9°	180.0°
C3	CA3	HA31	HA32	118.0°	120.0°
N3	CA3	HA31	HA32	118.0°	120.0°
OH	CZ	CE2	CE1	177.2°	179.7°
OH	CZ	CE1	CD1	178.9°	180.0°
OH	CZ	CE2	CD2	178.9°	180.0°
OH	CZ	CE1	HE1	1.1°	0.1°
OH	CZ	CE2	HE2	1.1°	0.0°
HOH	OH	CZ	CE2	180.0°	90.4°
HOH	OH	CZ	CE1	2.7°	90.0°
CE2	CZ	CE1	CD1	1.7°	0.3°
CZ	CE2	CD2	CG2	1.1°	0.0°
CZ	CE2	CD2	HE2	180.0°	179.9°
CZ	CE2	CD2	HD2	179.0°	179.7°
CE2	CZ	CE1	HE1	178.4°	179.8°
CZ	CE1	CD1	CG2	1.1°	0.0°
CZ	CE1	CD1	HE1	180.0°	179.9°
CZ	CE1	CD1	HD1	178.9°	180.0°
CE1	CZ	CE2	CD2	1.7°	0.4°
CE1	CZ	CE2	HE2	178.3°	179.7°
HA1	CA1	N1	H2	180.0°	60.0°
CA2	CB2	CG2	HB2	180.0°	180.0°
CA2	CB2	CG2	CD1	179.4°	26.1°
CA2	CB2	CG2	CD2	0.9°	154.3°
CB2	CG2	CD1	CD2	178.6°	179.6°
CB2	CG2	CD1	CE1	178.1°	180.0°
CB2	CG2	CD1	HD1	1.9°	0.1°
CB2	CG2	CD2	CE2	178.0°	179.9°
CB2	CG2	CD2	HD2	2.0°	0.3°
HB2	CB2	CG2	CD1	0.6°	154.0°
HB2	CB2	CG2	CD2	179.1°	25.7°
CG2	CD1	CE1	HD1	180.0°	180.0°
CD1	CG2	CD2	CE2	0.5°	0.3°
CD1	CG2	CD2	HD2	179.5°	179.9°
CG2	CD1	CE1	HE1	178.9°	179.9°
CE1	CD1	CG2	CD2	0.5°	0.3°
HD1	CD1	CG2	CD2	179.5°	179.7°
HD1	CD1	CE1	HE1	1.1°	0.0°
CG2	CD2	CE2	HD2	180.0°	179.8°
CG2	CD2	CE2	HE2	178.9°	180.0°
HD2	CD2	CE2	HE2	1.0°	0.2°
H2	N1	CA1	HA1A	60.0°	60.1°

Definition date:	2011-07-18
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	3ST3