IAM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.44Å	1.45Å
N	H2	sing	1.01Å	1.00Å
N	H	sing	1.01Å	1.00Å
CA	CB	sing	1.53Å	1.53Å
CA	C	sing	1.52Å	1.53Å
CA	HA	sing	1.10Å	1.09Å
CB	CG	sing	1.51Å	1.53Å
CB	HB	sing	1.10Å	1.09Å
CB	HB1	sing	1.10Å	1.09Å
CG	CD1	doub	1.39Å	1.36Å	Aromatic
CG	CD2	sing	1.39Å	1.36Å	Aromatic
CD1	CE1	sing	1.39Å	1.42Å	Aromatic
CD1	HD1	sing	1.09Å	1.09Å
CE1	CZ	doub	1.39Å	1.36Å	Aromatic
CE1	HE1	sing	1.09Å	1.09Å
CZ	CE2	sing	1.40Å	1.36Å	Aromatic
CZ	CT	sing	1.49Å	1.54Å
CE2	CD2	doub	1.39Å	1.42Å	Aromatic
CE2	HE2	sing	1.09Å	1.09Å
CD2	HD2	sing	1.09Å	1.09Å
CT	NH	sing	1.44Å	1.48Å
CT	HT1	sing	1.10Å	1.07Å
CT	HT2	sing	1.10Å	1.07Å
NH	CI	sing	1.46Å	1.48Å
NH	HH	sing	1.03Å	1.03Å
CI	CK1	sing	1.52Å	1.54Å
CI	CK2	sing	1.52Å	1.54Å
CI	HI	sing	1.10Å	1.07Å
CK1	HK11	sing	1.10Å	1.07Å
CK1	HK12	sing	1.10Å	1.07Å
CK1	HK13	sing	1.10Å	1.07Å
CK2	HK21	sing	1.10Å	1.07Å
CK2	HK22	sing	1.10Å	1.07Å
CK2	HK23	sing	1.10Å	1.07Å
C	O	doub	1.23Å	1.23Å
C	OXT	sing	1.35Å	6.02Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H2	107.7°	119.0°
CA	N	H	115.0°	119.0°
N	CA	CB	107.0°	111.1°
N	CA	C	111.0°	111.1°
N	CA	HA	107.2°	106.2°
H2	N	H	107.7°	120.5°
CB	CA	C	109.0°	110.0°
CB	CA	HA	113.3°	111.4°
CA	CB	CG	114.0°	113.0°
CA	CB	HB	109.0°	110.5°
CA	CB	HB1	108.9°	110.2°
C	CA	HA	109.3°	106.9°
CA	C	O	120.6°	123.0°
CA	C	OXT	93.9°	114.8°
CG	CB	HB	108.9°	108.0°
CG	CB	HB1	108.9°	109.7°
CB	CG	CD1	120.0°	119.4°
CB	CG	CD2	120.0°	119.3°
HB	CB	HB1	107.0°	105.2°
CD1	CG	CD2	120.0°	121.3°
CG	CD1	CE1	120.0°	119.4°
CG	CD1	HD1	120.0°	121.2°
CG	CD2	CE2	120.0°	119.4°
CG	CD2	HD2	120.0°	121.2°
CE1	CD1	HD1	120.0°	119.5°
CD1	CE1	CZ	120.0°	120.0°
CD1	CE1	HE1	120.0°	119.5°
CZ	CE1	HE1	120.0°	120.5°
CE1	CZ	CE2	120.1°	120.0°
CE1	CZ	CT	120.0°	120.0°
CE2	CZ	CT	119.9°	120.0°
CZ	CE2	CD2	119.9°	119.9°
CZ	CE2	HE2	120.1°	120.5°
CZ	CT	NH	109.4°	112.4°
CZ	CT	HT1	109.5°	111.1°
CZ	CT	HT2	109.5°	111.5°
CD2	CE2	HE2	120.0°	119.6°
CE2	CD2	HD2	120.0°	119.5°
NH	CT	HT1	109.6°	107.5°
NH	CT	HT2	109.4°	107.4°
CT	NH	CI	120.0°	111.6°
CT	NH	HH	119.9°	110.0°
HT1	CT	HT2	109.4°	106.7°
CI	NH	HH	120.1°	108.5°
NH	CI	CK1	109.5°	109.2°
NH	CI	CK2	109.5°	108.9°
NH	CI	HI	109.4°	108.0°
CK1	CI	CK2	109.5°	111.7°
CK1	CI	HI	109.4°	109.6°
CI	CK1	HK11	109.4°	110.9°
CI	CK1	HK12	109.5°	111.4°
CI	CK1	HK13	109.5°	110.8°
CK2	CI	HI	109.5°	109.4°
CI	CK2	HK21	109.5°	110.8°
CI	CK2	HK22	109.6°	110.9°
CI	CK2	HK23	109.5°	111.4°
HK11	CK1	HK12	109.5°	108.2°
HK11	CK1	HK13	109.5°	108.1°
HK12	CK1	HK13	109.5°	107.5°
HK21	CK2	HK22	109.4°	108.1°
HK21	CK2	HK23	109.4°	107.5°
HK22	CK2	HK23	109.4°	108.1°
O	C	OXT	144.2°	122.2°
C	OXT	HXT	93.9°	114.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H2	H	124.6°	166.4°
N	CA	CB	C	120.2°	123.5°
N	CA	CB	HA	117.9°	118.2°
N	CA	C	HA	118.1°	115.5°
N	CA	CB	CG	166.7°	158.2°
N	CA	CB	HB	44.8°	37.1°
N	CA	CB	HB1	71.6°	78.7°
N	CA	C	O	100.6°	34.5°
N	CA	C	OXT	69.4°	145.1°
H2	N	CA	CB	121.1°	144.3°
H2	N	CA	C	2.3°	92.9°
H2	N	CA	HA	117.1°	23.1°
H	N	CA	CB	118.9°	22.3°
H	N	CA	C	122.3°	100.5°
H	N	CA	HA	2.9°	143.5°
CB	CA	C	HA	124.3°	121.1°
CA	CB	CG	HB	121.9°	122.5°
CA	CB	CG	HB1	121.8°	123.3°
CA	CB	HB	HB1	117.6°	118.9°
CA	CB	CG	CD1	157.7°	90.0°
CA	CB	CG	CD2	22.2°	90.0°
CB	CA	C	O	141.8°	88.9°
CB	CA	C	OXT	48.2°	91.4°
C	CA	CB	CG	46.5°	78.3°
C	CA	CB	HB	75.3°	160.5°
C	CA	CB	HB1	168.2°	44.7°
CA	C	O	OXT	162.8°	179.6°
CA	C	OXT	HXT	180.0°	179.6°
HA	CA	CB	CG	75.4°	40.0°
HA	CA	CB	HB	162.7°	81.1°
HA	CA	CB	HB1	46.3°	163.1°
HA	CA	C	O	17.5°	150.0°
HA	CA	C	OXT	172.5°	29.6°
CG	CB	HB	HB1	117.5°	117.1°
CB	CG	CD1	CD2	180.0°	180.0°
CB	CG	CD1	CE1	180.0°	180.0°
CB	CG	CD1	HD1	0.1°	0.1°
CB	CG	CD2	CE2	180.0°	180.0°
CB	CG	CD2	HD2	0.1°	0.0°
HB	CB	CG	CD1	35.9°	147.5°
HB	CB	CG	CD2	144.1°	32.5°
HB1	CB	CG	CD1	80.5°	33.3°
HB1	CB	CG	CD2	99.6°	146.7°
CG	CD1	CE1	HD1	179.9°	179.9°
CG	CD1	CE1	CZ	0.0°	0.1°
CG	CD1	CE1	HE1	180.0°	180.0°
CD1	CG	CD2	CE2	0.0°	0.0°
CD1	CG	CD2	HD2	180.0°	180.0°
CD2	CG	CD1	CE1	0.0°	0.1°
CD2	CG	CD1	HD1	180.0°	180.0°
CG	CD2	CE2	CZ	0.1°	0.0°
CG	CD2	CE2	HD2	180.0°	180.0°
CG	CD2	CE2	HE2	179.9°	180.0°
CD1	CE1	CZ	HE1	180.0°	179.9°
CD1	CE1	CZ	CE2	0.1°	0.1°
CD1	CE1	CZ	CT	179.9°	180.0°
HD1	CD1	CE1	CZ	179.9°	180.0°
HD1	CD1	CE1	HE1	0.1°	0.1°
CE1	CZ	CE2	CT	179.8°	179.9°
CE1	CZ	CE2	CD2	0.2°	0.1°
CE1	CZ	CE2	HE2	179.8°	180.0°
CE1	CZ	CT	NH	85.5°	89.9°
CE1	CZ	CT	HT1	154.4°	149.5°
CE1	CZ	CT	HT2	34.5°	30.6°
HE1	CE1	CZ	CE2	179.9°	180.0°
HE1	CE1	CZ	CT	0.1°	0.2°
CZ	CE2	CD2	HE2	180.0°	180.0°
CZ	CE2	CD2	HD2	179.9°	180.0°
CE2	CZ	CT	NH	94.7°	89.9°
CE2	CZ	CT	HT1	25.4°	30.6°
CE2	CZ	CT	HT2	145.3°	149.5°
CT	CZ	CE2	CD2	179.9°	179.9°
CT	CZ	CE2	HE2	0.0°	0.1°
CZ	CT	NH	HT1	120.1°	122.6°
CZ	CT	NH	HT2	120.0°	122.9°
CZ	CT	HT1	HT2	120.0°	121.7°
CZ	CT	NH	CI	124.8°	179.5°
CZ	CT	NH	HH	55.0°	60.0°
HE2	CE2	CD2	HD2	0.1°	0.0°
NH	CT	HT1	HT2	120.0°	115.0°
CT	NH	CI	HH	179.8°	121.3°
CT	NH	CI	CK1	161.8°	61.3°
CT	NH	CI	CK2	41.7°	176.4°
CT	NH	CI	HI	78.4°	57.7°
HT1	CT	NH	CI	4.7°	57.9°
HT1	CT	NH	HH	175.1°	62.5°
HT2	CT	NH	CI	115.2°	56.6°
HT2	CT	NH	HH	65.0°	177.1°
NH	CI	CK1	CK2	120.1°	120.5°
NH	CI	CK1	HI	119.9°	118.1°
NH	CI	CK2	HI	120.0°	117.8°
NH	CI	CK1	HK11	60.1°	179.0°
NH	CI	CK1	HK12	59.9°	60.5°
NH	CI	CK1	HK13	179.9°	59.1°
NH	CI	CK2	HK21	60.0°	58.9°
NH	CI	CK2	HK22	60.0°	178.8°
NH	CI	CK2	HK23	180.0°	60.7°
HH	NH	CI	CK1	18.0°	60.0°
HH	NH	CI	CK2	138.1°	62.2°
HH	NH	CI	HI	101.8°	179.0°
CK1	CI	CK2	HI	120.0°	121.5°
CI	CK1	HK11	HK12	120.0°	122.4°
CI	CK1	HK11	HK13	120.0°	121.6°
CI	CK1	HK12	HK13	120.0°	121.5°
CK1	CI	CK2	HK21	180.0°	179.5°
CK1	CI	CK2	HK22	60.0°	60.5°
CK1	CI	CK2	HK23	60.0°	59.9°
CK2	CI	CK1	HK11	60.0°	60.5°
CK2	CI	CK1	HK12	180.0°	60.0°
CK2	CI	CK1	HK13	60.0°	179.6°
CI	CK2	HK21	HK22	120.1°	121.6°
CI	CK2	HK21	HK23	120.1°	121.9°
CI	CK2	HK22	HK23	120.1°	122.4°
HI	CI	CK1	HK11	180.0°	61.0°
HI	CI	CK1	HK12	60.0°	178.5°
HI	CI	CK1	HK13	60.0°	59.0°
HI	CI	CK2	HK21	60.0°	58.9°
HI	CI	CK2	HK22	180.0°	61.0°
HI	CI	CK2	HK23	60.0°	178.5°
HK11	CK1	HK12	HK13	120.0°	116.4°
HK21	CK2	HK22	HK23	119.8°	116.1°
O	C	OXT	HXT	14.8°	0.0°

Definition date:	2004-11-19
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1XXZ