PIA

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	1.55Å
CA1	C1	sing	1.51Å	1.53Å
CA1	HA1	sing	1.09Å	1.10Å
CB1	HB11	sing	1.09Å	1.10Å
CB1	HB12	sing	1.09Å	1.10Å
CB1	HB13	sing	1.09Å	1.10Å
C1	N2	doub	1.30Å	1.32Å
C1	N3	sing	1.37Å	1.37Å
N2	CA2	sing	1.37Å	1.33Å
N3	C2	sing	1.35Å	1.33Å
N3	CA3	sing	1.47Å	1.44Å
C2	O2	doub	1.22Å	1.24Å
C2	CA2	sing	1.47Å	1.38Å
CA2	CB2	doub	1.38Å	1.53Å
CA3	C3	sing	1.51Å	1.51Å
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	1.34Å
CB2	CG2	sing	1.46Å	1.53Å
CB2	HB2	sing	1.08Å	1.08Å
CG2	CD1	doub	1.40Å	1.36Å	Aromatic
CG2	CD2	sing	1.40Å	1.36Å	Aromatic
CD1	CE1	sing	1.37Å	1.39Å	Aromatic
CD1	HD1	sing	1.08Å	1.08Å
CD2	CE2	doub	1.37Å	1.40Å	Aromatic
CD2	HD2	sing	1.08Å	1.08Å
CE1	CZ	doub	1.39Å	1.39Å	Aromatic
CE1	HE1	sing	1.08Å	1.08Å
CE2	CZ	sing	1.39Å	1.39Å	Aromatic
CE2	HE2	sing	1.08Å	1.08Å
CZ	OH	sing	1.36Å	1.37Å
OH	HH	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)
CA1	N1	H	109.5°	111.0°
CA1	N1	H2	109.5°	111.0°
N1	CA1	CB1	110.5°	109.5°
N1	CA1	C1	105.1°	109.5°
N1	CA1	HA1	107.6°	109.5°
H	N1	H2	109.4°	111.0°
CB1	CA1	C1	119.8°	109.5°
CB1	CA1	HA1	106.6°	109.4°
CA1	CB1	HB11	109.5°	109.4°
CA1	CB1	HB12	109.5°	109.5°
CA1	CB1	HB13	109.5°	109.5°
C1	CA1	HA1	106.8°	109.4°
CA1	C1	N2	122.0°	124.3°
CA1	C1	N3	125.0°	124.4°
HB11	CB1	HB12	109.5°	109.4°
HB11	CB1	HB13	109.5°	109.5°
HB12	CB1	HB13	109.5°	109.5°
N2	C1	N3	112.4°	111.3°
C1	N2	CA2	97.3°	109.3°
C1	N3	C2	111.8°	108.4°
C1	N3	CA3	127.8°	125.8°
N2	CA2	C2	122.2°	105.7°
N2	CA2	CB2	132.3°	127.1°
C2	N3	CA3	120.4°	125.8°
N3	C2	O2	118.1°	127.4°
N3	C2	CA2	96.1°	105.3°
N3	CA3	C3	113.7°	109.5°
N3	CA3	HA31	108.4°	109.4°
N3	CA3	HA32	108.4°	109.5°
O2	C2	CA2	145.7°	127.4°
C2	CA2	CB2	105.3°	127.2°
CA2	CB2	CG2	124.4°	120.0°
CA2	CB2	HB2	117.8°	120.0°
C3	CA3	HA31	108.4°	109.5°
C3	CA3	HA32	108.4°	109.5°
CA3	C3	O3	119.3°	120.0°
CA3	C3	OXT	116.5°	120.0°
HA31	CA3	HA32	109.5°	109.5°
O3	C3	OXT	123.6°	120.0°
C3	OXT	HXT	109.5°	117.0°
CG2	CB2	HB2	117.8°	120.0°
CB2	CG2	CD1	118.2°	120.2°
CB2	CG2	CD2	115.1°	120.1°
CD1	CG2	CD2	126.4°	119.7°
CG2	CD1	CE1	116.3°	119.9°
CG2	CD1	HD1	121.8°	120.0°
CG2	CD2	CE2	117.2°	119.9°
CG2	CD2	HD2	121.4°	120.1°
CE1	CD1	HD1	121.8°	120.1°
CD1	CE1	CZ	120.2°	120.1°
CD1	CE1	HE1	119.9°	119.9°
CE2	CD2	HD2	121.4°	120.0°
CD2	CE2	CZ	118.7°	120.1°
CD2	CE2	HE2	120.6°	120.0°
CZ	CE1	HE1	119.9°	120.0°
CE1	CZ	CE2	121.1°	120.3°
CE1	CZ	OH	118.8°	119.8°
CZ	CE2	HE2	120.7°	119.9°
CE2	CZ	OH	120.2°	119.9°
CZ	OH	HH	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA1	N1	H	H2	120.0°	124.0°
N1	CA1	CB1	C1	122.2°	120.1°
N1	CA1	CB1	HA1	116.6°	120.0°
N1	CA1	C1	HA1	114.1°	120.0°
N1	CA1	CB1	HB11	180.0°	60.0°
N1	CA1	CB1	HB12	60.0°	180.0°
N1	CA1	CB1	HB13	60.0°	59.9°
N1	CA1	C1	N2	103.1°	35.0°
N1	CA1	C1	N3	67.1°	144.7°
H	N1	CA1	CB1	180.0°	64.0°
H	N1	CA1	C1	49.5°	56.1°
H	N1	CA1	HA1	64.1°	176.1°
H2	N1	CA1	CB1	60.0°	60.0°
H2	N1	CA1	C1	70.5°	180.0°
H2	N1	CA1	HA1	175.9°	60.0°
CB1	CA1	C1	HA1	121.1°	119.9°
CA1	CB1	HB11	HB12	120.0°	120.0°
CA1	CB1	HB11	HB13	120.0°	120.0°
CA1	CB1	HB12	HB13	120.0°	120.0°
CB1	CA1	C1	N2	21.8°	85.1°
CB1	CA1	C1	N3	168.1°	95.2°
C1	CA1	CB1	HB11	57.8°	60.0°
C1	CA1	CB1	HB12	177.8°	59.9°
C1	CA1	CB1	HB13	62.2°	180.0°
CA1	C1	N2	N3	171.3°	179.7°
CA1	C1	N2	CA2	172.1°	180.0°
CA1	C1	N3	C2	174.3°	180.0°
CA1	C1	N3	CA3	4.4°	0.0°
HA1	CA1	CB1	HB11	63.4°	179.9°
HA1	CA1	CB1	HB12	56.6°	60.0°
HA1	CA1	CB1	HB13	176.6°	60.1°
HA1	CA1	C1	N2	142.9°	155.0°
HA1	CA1	C1	N3	47.0°	24.7°
HB11	CB1	HB12	HB13	120.0°	120.0°
N2	C1	N3	C2	3.4°	0.2°
N2	C1	N3	CA3	175.4°	179.7°
C1	N2	CA2	C2	2.0°	0.2°
C1	N2	CA2	CB2	177.2°	180.0°
N3	C1	N2	CA2	0.8°	0.2°
C1	N3	C2	CA3	178.9°	180.0°
C1	N3	C2	O2	174.6°	180.0°
C1	N3	C2	CA2	3.8°	0.1°
C1	N3	CA3	C3	79.7°	90.0°
C1	N3	CA3	HA31	159.7°	150.0°
C1	N3	CA3	HA32	40.9°	30.0°
N2	CA2	C2	N3	3.9°	0.0°
N2	CA2	C2	O2	173.7°	179.9°
N2	CA2	C2	CB2	176.2°	179.9°
N2	CA2	CB2	CG2	7.3°	5.2°
N2	CA2	CB2	HB2	172.7°	174.8°
N3	C2	O2	CA2	177.3°	179.9°
N3	C2	CA2	CB2	179.9°	179.9°
C2	N3	CA3	C3	101.6°	90.1°
C2	N3	CA3	HA31	19.0°	30.0°
C2	N3	CA3	HA32	137.7°	149.9°
CA3	N3	C2	O2	6.5°	0.0°
CA3	N3	C2	CA2	175.0°	179.8°
N3	CA3	C3	HA31	120.6°	120.0°
N3	CA3	C3	HA32	120.6°	120.0°
N3	CA3	HA31	HA32	118.1°	120.0°
N3	CA3	C3	O3	179.4°	0.0°
N3	CA3	C3	OXT	9.2°	180.0°
O2	C2	CA2	CB2	2.5°	0.0°
C2	CA2	CB2	CG2	177.0°	175.0°
C2	CA2	CB2	HB2	3.0°	5.0°
CA2	CB2	CG2	HB2	180.0°	180.0°
CA2	CB2	CG2	CD1	4.2°	6.0°
CA2	CB2	CG2	CD2	179.2°	174.3°
C3	CA3	HA31	HA32	118.1°	120.0°
CA3	C3	O3	OXT	170.8°	179.9°
CA3	C3	OXT	HXT	171.0°	180.0°
HA31	CA3	C3	O3	58.8°	119.9°
HA31	CA3	C3	OXT	129.8°	60.0°
HA32	CA3	C3	O3	60.0°	120.0°
HA32	CA3	C3	OXT	111.4°	60.1°
O3	C3	OXT	HXT	0.0°	0.1°
CB2	CG2	CD1	CD2	174.4°	179.7°
CB2	CG2	CD1	CE1	174.2°	180.0°
CB2	CG2	CD1	HD1	5.8°	0.1°
CB2	CG2	CD2	CE2	174.5°	180.0°
CB2	CG2	CD2	HD2	5.5°	0.0°
HB2	CB2	CG2	CD1	175.8°	174.0°
HB2	CB2	CG2	CD2	0.8°	5.7°
CG2	CD1	CE1	HD1	180.0°	180.0°
CD1	CG2	CD2	CE2	0.0°	0.3°
CD1	CG2	CD2	HD2	180.0°	179.7°
CG2	CD1	CE1	CZ	0.2°	0.0°
CG2	CD1	CE1	HE1	179.8°	180.0°
CD2	CG2	CD1	CE1	0.2°	0.3°
CD2	CG2	CD1	HD1	179.8°	179.7°
CG2	CD2	CE2	HD2	180.0°	180.0°
CG2	CD2	CE2	CZ	0.1°	0.0°
CG2	CD2	CE2	HE2	179.8°	180.0°
CD1	CE1	CZ	HE1	180.0°	180.0°
CD1	CE1	CZ	CE2	0.0°	0.3°
CD1	CE1	CZ	OH	179.5°	180.0°
HD1	CD1	CE1	CZ	179.8°	180.0°
HD1	CD1	CE1	HE1	0.2°	0.0°
CD2	CE2	CZ	CE1	0.1°	0.3°
CD2	CE2	CZ	HE2	180.0°	180.0°
CD2	CE2	CZ	OH	179.7°	180.0°
HD2	CD2	CE2	CZ	179.8°	180.0°
HD2	CD2	CE2	HE2	0.2°	0.0°
CE1	CZ	CE2	OH	179.5°	179.8°
CE1	CZ	CE2	HE2	179.8°	179.7°
CE1	CZ	OH	HH	180.0°	90.0°
HE1	CE1	CZ	CE2	180.0°	179.8°
HE1	CE1	CZ	OH	0.5°	0.0°
CE2	CZ	OH	HH	0.5°	89.8°
HE2	CE2	CZ	OH	0.3°	0.0°

Definition date:	2001-06-22
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	1H6R