CCY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.48Å	1.33Å
C1	N3	sing	1.47Å	1.39Å
C1	CA1	sing	1.53Å	1.38Å
C1	H1	sing	1.09Å	1.10Å
N2	CA2	sing	1.48Å	1.38Å
N2	HN2	sing	1.01Å	1.00Å
CA2	C2	sing	1.51Å	1.43Å
CA2	CB2	sing	1.53Å	1.41Å
CA2	HA2	sing	1.09Å	1.10Å
C2	O2	doub	1.21Å	1.23Å
C2	N3	sing	1.35Å	1.32Å
N3	CA3	sing	1.46Å	1.44Å
CA3	C3	sing	1.51Å	1.50Å
CA3	HA31	sing	1.09Å	1.10Å
CA3	HA32	sing	1.09Å	1.10Å
C3	O3	doub	1.21Å	1.22Å
C3	OXT	sing	1.34Å	1.32Å
CA1	N1	sing	1.47Å	1.45Å
CA1	CB1	sing	1.53Å	1.52Å
CA1	HA1	sing	1.09Å	1.10Å
N1	H	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
CB1	SG	sing	1.81Å	1.82Å
CB1	HB11	sing	1.09Å	1.10Å
CB1	HB12	sing	1.09Å	1.10Å
SG	HSG	sing	1.35Å	1.30Å
CB2	CG	sing	1.51Å	1.47Å
CB2	HB21	sing	1.09Å	1.10Å
CB2	HB22	sing	1.09Å	1.10Å
CG	CD1	doub	1.38Å	1.40Å	Aromatic
CG	CD2	sing	1.38Å	1.40Å	Aromatic
CD1	CE1	sing	1.38Å	1.44Å	Aromatic
CD1	HD1	sing	1.08Å	1.08Å
CD2	CE2	doub	1.38Å	1.38Å	Aromatic
CD2	HD2	sing	1.08Å	1.08Å
CE1	CZ	doub	1.39Å	1.40Å	Aromatic
CE1	HE1	sing	1.08Å	1.08Å
CE2	CZ	sing	1.39Å	1.38Å	Aromatic
CE2	HE2	sing	1.08Å	1.08Å
CZ	OH	sing	1.36Å	1.38Å
OH	HO	sing	0.97Å	0.95Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	N3	107.5°	106.1°
N2	C1	CA1	125.3°	110.2°
N2	C1	H1	130.6°	110.1°
C1	N2	CA2	109.9°	103.2°
C1	N2	HN2	109.3°	111.0°
N3	C1	CA1	127.1°	110.1°
N3	C1	H1	120.8°	110.1°
C1	N3	C2	109.7°	109.6°
C1	N3	CA3	124.8°	125.2°
CA1	C1	H1	12.7°	110.1°
C1	CA1	N1	111.0°	109.5°
C1	CA1	CB1	111.9°	109.5°
C1	CA1	HA1	105.9°	109.5°
CA2	N2	HN2	109.3°	111.0°
N2	CA2	C2	105.0°	104.8°
N2	CA2	CB2	128.8°	110.4°
N2	CA2	HA2	120.6°	110.4°
C2	CA2	CB2	126.1°	110.3°
C2	CA2	HA2	132.6°	110.3°
CA2	C2	O2	127.8°	125.7°
CA2	C2	N3	107.9°	108.5°
CB2	CA2	HA2	15.9°	110.4°
CA2	CB2	CG	125.9°	109.5°
CA2	CB2	HB21	104.3°	109.5°
CA2	CB2	HB22	100.5°	109.6°
O2	C2	N3	123.0°	125.7°
C2	N3	CA3	123.8°	125.2°
N3	CA3	C3	109.4°	109.4°
N3	CA3	HA31	109.5°	109.5°
N3	CA3	HA32	109.6°	109.5°
C3	CA3	HA31	109.5°	109.5°
C3	CA3	HA32	109.5°	109.4°
CA3	C3	O3	120.3°	120.0°
CA3	C3	OXT	117.7°	120.0°
HA31	CA3	HA32	109.4°	109.5°
O3	C3	OXT	120.8°	120.0°
C3	OXT	HXT	109.5°	117.0°
N1	CA1	CB1	106.6°	109.4°
N1	CA1	HA1	111.2°	109.5°
CA1	N1	H	109.5°	111.0°
CA1	N1	H2	109.5°	111.1°
CB1	CA1	HA1	110.3°	109.5°
CA1	CB1	SG	109.6°	109.5°
CA1	CB1	HB11	109.4°	109.5°
CA1	CB1	HB12	109.4°	109.5°
H	N1	H2	109.4°	111.0°
SG	CB1	HB11	109.4°	109.4°
SG	CB1	HB12	109.4°	109.4°
CB1	SG	HSG	109.5°	103.0°
HB11	CB1	HB12	109.6°	109.5°
CG	CB2	HB21	104.3°	109.4°
CG	CB2	HB22	100.5°	109.5°
CB2	CG	CD1	124.0°	120.0°
CB2	CG	CD2	118.5°	119.9°
HB21	CB2	HB22	123.5°	109.5°
CD1	CG	CD2	117.5°	120.1°
CG	CD1	CE1	120.5°	120.0°
CG	CD1	HD1	119.7°	120.0°
CG	CD2	CE2	122.8°	120.0°
CG	CD2	HD2	118.6°	120.0°
CE1	CD1	HD1	119.7°	120.0°
CD1	CE1	CZ	119.0°	120.0°
CD1	CE1	HE1	120.5°	120.1°
CE2	CD2	HD2	118.6°	120.0°
CD2	CE2	CZ	120.1°	119.9°
CD2	CE2	HE2	120.0°	120.0°
CZ	CE1	HE1	120.5°	120.0°
CE1	CZ	CE2	120.2°	119.9°
CE1	CZ	OH	122.5°	120.1°
CZ	CE2	HE2	120.0°	120.1°
CE2	CZ	OH	117.3°	120.0°
CZ	OH	HO	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	N3	CA1	177.8°	119.2°
N2	C1	N3	H1	169.0°	119.1°
N2	C1	CA1	H1	118.9°	121.6°
C1	N2	CA2	HN2	120.0°	118.9°
C1	N2	CA2	C2	1.2°	26.3°
C1	N2	CA2	CB2	175.5°	145.1°
C1	N2	CA2	HA2	167.9°	92.4°
N2	C1	N3	C2	0.0°	17.6°
N2	C1	N3	CA3	165.3°	162.3°
N2	C1	CA1	N1	102.3°	53.5°
N2	C1	CA1	CB1	16.6°	66.4°
N2	C1	CA1	HA1	136.9°	173.6°
N3	C1	CA1	H1	63.7°	121.6°
N3	C1	N2	CA2	0.8°	27.0°
N3	C1	N2	HN2	119.2°	146.0°
C1	N3	C2	CA2	0.8°	0.4°
C1	N3	C2	O2	169.0°	179.6°
C1	N3	C2	CA3	165.5°	179.9°
C1	N3	CA3	C3	97.8°	90.1°
C1	N3	CA3	HA31	142.2°	150.0°
C1	N3	CA3	HA32	22.2°	29.9°
N3	C1	CA1	N1	75.1°	63.2°
N3	C1	CA1	CB1	165.9°	176.8°
N3	C1	CA1	HA1	45.7°	56.8°
CA1	C1	N2	CA2	177.1°	146.2°
CA1	C1	N2	HN2	62.9°	94.8°
CA1	C1	N3	C2	177.8°	136.8°
CA1	C1	N3	CA3	12.5°	43.1°
C1	CA1	N1	CB1	122.1°	120.0°
C1	CA1	N1	HA1	117.6°	120.0°
C1	CA1	CB1	HA1	117.6°	120.0°
C1	CA1	N1	H	67.2°	59.9°
C1	CA1	N1	H2	52.7°	176.1°
C1	CA1	CB1	SG	160.1°	180.0°
C1	CA1	CB1	HB11	79.9°	60.0°
C1	CA1	CB1	HB12	40.2°	60.1°
H1	C1	N2	CA2	168.3°	92.1°
H1	C1	N2	HN2	48.3°	26.8°
H1	C1	N3	C2	168.9°	101.6°
H1	C1	N3	CA3	25.7°	78.5°
H1	C1	CA1	N1	138.8°	175.2°
H1	C1	CA1	CB1	102.2°	55.2°
H1	C1	CA1	HA1	18.0°	64.8°
N2	CA2	C2	CB2	176.9°	118.8°
N2	CA2	C2	HA2	164.4°	118.8°
N2	CA2	CB2	HA2	63.8°	122.4°
N2	CA2	C2	O2	168.7°	163.2°
N2	CA2	C2	N3	1.2°	16.8°
N2	CA2	CB2	CG	1.0°	65.0°
N2	CA2	CB2	HB21	118.9°	54.9°
N2	CA2	CB2	HB22	112.2°	175.0°
HN2	N2	CA2	C2	118.8°	145.3°
HN2	N2	CA2	CB2	64.5°	95.9°
HN2	N2	CA2	HA2	47.9°	26.5°
C2	CA2	CB2	HA2	120.1°	122.3°
CA2	C2	O2	N3	165.8°	180.0°
CA2	C2	N3	CA3	164.7°	179.5°
C2	CA2	CB2	CG	177.1°	179.7°
C2	CA2	CB2	HB21	57.2°	60.4°
C2	CA2	CB2	HB22	71.7°	59.6°
CB2	CA2	C2	O2	8.1°	44.4°
CB2	CA2	C2	N3	175.7°	135.6°
CA2	CB2	CG	HB21	120.0°	119.9°
CA2	CB2	CG	HB22	111.2°	120.1°
CA2	CB2	HB21	HB22	113.2°	120.1°
CA2	CB2	CG	CD1	1.9°	89.9°
CA2	CB2	CG	CD2	179.6°	90.3°
HA2	CA2	C2	O2	26.9°	77.9°
HA2	CA2	C2	N3	165.6°	102.1°
HA2	CA2	CB2	CG	62.8°	57.4°
HA2	CA2	CB2	HB21	177.3°	177.3°
HA2	CA2	CB2	HB22	48.4°	62.6°
O2	C2	N3	CA3	3.5°	0.5°
C2	N3	CA3	C3	98.8°	90.1°
C2	N3	CA3	HA31	21.2°	29.9°
C2	N3	CA3	HA32	141.1°	150.0°
N3	CA3	C3	HA31	120.0°	120.0°
N3	CA3	C3	HA32	120.1°	120.0°
N3	CA3	HA31	HA32	120.1°	120.1°
N3	CA3	C3	O3	160.2°	0.1°
N3	CA3	C3	OXT	7.3°	180.0°
C3	CA3	HA31	HA32	120.0°	120.0°
CA3	C3	O3	OXT	167.1°	179.9°
CA3	C3	OXT	HXT	167.5°	180.0°
HA31	CA3	C3	O3	40.2°	120.0°
HA31	CA3	C3	OXT	127.3°	60.0°
HA32	CA3	C3	O3	79.7°	120.0°
HA32	CA3	C3	OXT	112.7°	60.0°
O3	C3	OXT	HXT	0.0°	0.1°
N1	CA1	CB1	HA1	120.9°	120.0°
CA1	N1	H	H2	120.0°	124.0°
N1	CA1	CB1	SG	78.4°	60.0°
N1	CA1	CB1	HB11	41.6°	60.0°
N1	CA1	CB1	HB12	161.7°	179.9°
CB1	CA1	N1	H	170.7°	60.0°
CB1	CA1	N1	H2	69.3°	63.9°
CA1	CB1	SG	HB11	120.0°	120.0°
CA1	CB1	SG	HB12	120.0°	120.0°
CA1	CB1	HB11	HB12	120.0°	120.0°
CA1	CB1	SG	HSG	121.4°	180.0°
HA1	CA1	N1	H	50.4°	180.0°
HA1	CA1	N1	H2	170.4°	56.0°
HA1	CA1	CB1	SG	42.5°	60.0°
HA1	CA1	CB1	HB11	162.5°	180.0°
HA1	CA1	CB1	HB12	77.4°	60.0°
SG	CB1	HB11	HB12	119.9°	120.0°
HB11	CB1	SG	HSG	1.4°	60.0°
HB12	CB1	SG	HSG	118.7°	60.0°
CG	CB2	HB21	HB22	113.2°	119.9°
CB2	CG	CD1	CD2	178.6°	179.7°
CB2	CG	CD1	CE1	178.2°	180.0°
CB2	CG	CD1	HD1	1.8°	0.1°
CB2	CG	CD2	CE2	179.0°	180.0°
CB2	CG	CD2	HD2	1.0°	0.0°
HB21	CB2	CG	CD1	121.8°	30.0°
HB21	CB2	CG	CD2	59.6°	149.7°
HB22	CB2	CG	CD1	109.3°	150.0°
HB22	CB2	CG	CD2	69.2°	29.8°
CG	CD1	CE1	HD1	180.0°	179.9°
CD1	CG	CD2	CE2	0.3°	0.3°
CD1	CG	CD2	HD2	179.7°	179.8°
CG	CD1	CE1	CZ	0.7°	0.0°
CG	CD1	CE1	HE1	179.3°	180.0°
CD2	CG	CD1	CE1	0.4°	0.3°
CD2	CG	CD1	HD1	179.7°	179.7°
CG	CD2	CE2	HD2	180.0°	179.9°
CG	CD2	CE2	CZ	0.7°	0.0°
CG	CD2	CE2	HE2	179.3°	180.0°
CD1	CE1	CZ	HE1	180.0°	180.0°
CD1	CE1	CZ	CE2	0.4°	0.3°
CD1	CE1	CZ	OH	179.3°	180.0°
HD1	CD1	CE1	CZ	179.3°	180.0°
HD1	CD1	CE1	HE1	0.7°	0.1°
CD2	CE2	CZ	CE1	0.3°	0.2°
CD2	CE2	CZ	HE2	180.0°	179.9°
CD2	CE2	CZ	OH	178.7°	180.0°
HD2	CD2	CE2	CZ	179.3°	180.0°
HD2	CD2	CE2	HE2	0.7°	0.1°
CE1	CZ	CE2	OH	179.0°	179.8°
CE1	CZ	CE2	HE2	179.7°	179.7°
CE1	CZ	OH	HO	58.3°	90.0°
HE1	CE1	CZ	CE2	179.6°	179.8°
HE1	CE1	CZ	OH	0.7°	0.0°
CE2	CZ	OH	HO	122.8°	89.8°
HE2	CE2	CZ	OH	1.3°	0.1°

Definition date:	1999-07-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	1EMK