HA0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA1	C	sing	1.51Å	1.54Å
O	C	doub	1.21Å	1.23Å
C	N	sing	1.35Å	1.35Å
N	C11	sing	1.46Å	1.46Å
N	HN	sing	0.97Å	1.00Å
OXT	C1	doub	1.21Å	1.22Å
C1	O1	sing	1.34Å	1.35Å
C1	C11	sing	1.51Å	1.57Å
O1	HO1	sing	0.97Å	0.95Å
CZ1	N3	doub	1.30Å	1.34Å	Aromatic
N3	CB	sing	1.34Å	1.50Å	Aromatic
C4	CA1	sing	1.55Å	1.57Å
C4	CG1	sing	1.55Å	1.55Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
CA1	C5	sing	1.54Å	1.57Å
C5	CG2	sing	1.54Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
CZ1	O6	sing	1.34Å	1.35Å	Aromatic
O6	CG3	sing	1.35Å	1.36Å	Aromatic
CB2	CA	sing	1.51Å	1.51Å
CB1	CA	sing	1.53Å	1.49Å
CA	CH2	sing	1.53Å	1.57Å
CA	HA	sing	1.09Å	1.10Å
CB	CG3	doub	1.36Å	1.38Å	Aromatic
CB	HB	sing	1.08Å	1.08Å
CD	CG	sing	1.53Å	1.53Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
CD	HDB	sing	1.09Å	1.10Å
CG	CB1	sing	1.53Å	1.51Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
C11	CH	sing	1.53Å	1.55Å
CH	CZ1	sing	1.51Å	1.54Å
CH	HH	sing	1.09Å	1.10Å
CH	HHA	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
CD2	C17	doub	1.40Å	1.44Å	Aromatic
C17	C20	sing	1.38Å	1.43Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C21	C20	doub	1.38Å	1.44Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
CZ3	C21	sing	1.38Å	1.39Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
CH2	CA1	sing	1.53Å	1.56Å
CB1	HB1	sing	1.09Å	1.10Å
CB1	HB1A	sing	1.09Å	1.10Å
OG1	CB2	doub	1.21Å	1.23Å
OG2	CB2	sing	1.34Å	1.27Å
CG3	CD2	sing	1.48Å	1.51Å	Aromatic
CE3	CD2	sing	1.40Å	1.45Å	Aromatic
CE3	CZ3	doub	1.38Å	1.42Å	Aromatic
CE3	HE3	sing	1.08Å	1.08Å
CG1	CG2	sing	1.54Å	1.54Å
CG1	HG1	sing	1.09Å	1.10Å
CG1	HG1A	sing	1.09Å	1.10Å
CG2	HG2	sing	1.09Å	1.10Å
CG2	HG2A	sing	1.09Å	1.10Å
OG2	HOG2	sing	0.97Å	0.95Å
CH2	HH2	sing	1.09Å	1.10Å
CH2	HH2A	sing	1.09Å	1.10Å
CZ3	HZ3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA1	C	O	122.8°	120.0°
CA1	C	N	109.8°	119.9°
C	CA1	C4	109.8°	110.5°
C	CA1	C5	111.1°	110.5°
C	CA1	CH2	107.5°	110.4°
O	C	N	127.4°	120.1°
C	N	C11	129.1°	119.9°
C	N	HN	115.4°	120.0°
C11	N	HN	115.4°	120.0°
N	C11	C1	106.3°	109.5°
N	C11	CH	107.9°	109.4°
N	C11	H11	115.8°	109.5°
OXT	C1	O1	123.9°	120.1°
OXT	C1	C11	122.6°	120.0°
O1	C1	C11	113.4°	120.0°
C1	O1	HO1	109.5°	117.0°
C1	C11	CH	117.7°	109.4°
C1	C11	H11	105.6°	109.5°
CZ1	N3	CB	102.8°	108.9°
N3	CZ1	O6	113.4°	109.0°
N3	CZ1	CH	130.4°	125.5°
N3	CB	CG3	106.7°	107.5°
N3	CB	HB	126.6°	126.2°
CA1	C4	CG1	109.1°	102.8°
CA1	C4	H4	109.6°	110.8°
CA1	C4	H4A	109.7°	110.8°
C4	CA1	C5	101.3°	104.2°
C4	CA1	CH2	116.5°	110.5°
CG1	C4	H4	109.6°	110.7°
CG1	C4	H4A	109.7°	110.7°
C4	CG1	CG2	105.0°	104.2°
C4	CG1	HG1	111.0°	110.5°
C4	CG1	HG1A	111.9°	110.5°
H4	C4	H4A	109.2°	110.9°
CA1	C5	CG2	104.8°	106.6°
CA1	C5	H5	111.0°	110.0°
CA1	C5	H5A	112.0°	110.1°
C5	CA1	CH2	110.6°	110.6°
CG2	C5	H5	111.1°	110.0°
CG2	C5	H5A	112.1°	110.1°
C5	CG2	CG1	106.1°	106.6°
C5	CG2	HG2	110.6°	110.0°
C5	CG2	HG2A	111.3°	110.0°
H5	C5	H5A	106.0°	110.0°
CZ1	O6	CG3	108.4°	107.7°
O6	CZ1	CH	116.2°	125.5°
O6	CG3	CB	108.8°	106.8°
O6	CG3	CD2	120.7°	126.6°
CB2	CA	CB1	109.6°	109.5°
CB2	CA	CH2	104.4°	109.5°
CB2	CA	HA	114.2°	109.5°
CA	CB2	OG1	132.1°	120.0°
CA	CB2	OG2	103.6°	120.0°
CB1	CA	CH2	113.8°	109.5°
CB1	CA	HA	105.0°	109.5°
CA	CB1	CG	113.0°	109.5°
CA	CB1	HB1	108.3°	109.4°
CA	CB1	HB1A	107.5°	109.5°
CH2	CA	HA	110.1°	109.4°
CA	CH2	CA1	118.8°	109.5°
CA	CH2	HH2	106.5°	109.4°
CA	CH2	HH2A	104.3°	109.5°
CG3	CB	HB	126.7°	126.3°
CB	CG3	CD2	130.5°	126.6°
CG	CD	HD	109.5°	109.5°
CG	CD	HDA	109.4°	109.5°
CG	CD	HDB	109.5°	109.5°
CD	CG	CB1	114.5°	109.5°
CD	CG	HG	107.8°	109.5°
CD	CG	HGA	106.7°	109.4°
HD	CD	HDA	109.5°	109.5°
HD	CD	HDB	109.4°	109.5°
HDA	CD	HDB	109.5°	109.5°
CB1	CG	HG	107.8°	109.5°
CB1	CG	HGA	106.6°	109.5°
CG	CB1	HB1	108.3°	109.5°
CG	CB1	HB1A	107.5°	109.5°
HG	CG	HGA	113.5°	109.5°
C11	CH	CZ1	117.6°	109.4°
C11	CH	HH	106.8°	109.5°
C11	CH	HHA	105.0°	109.5°
CH	C11	H11	104.0°	109.5°
CZ1	CH	HH	106.9°	109.4°
CZ1	CH	HHA	105.0°	109.5°
HH	CH	HHA	116.1°	109.5°
CD2	C17	C20	119.6°	119.9°
CD2	C17	H17	120.2°	120.0°
C17	CD2	CG3	123.1°	120.2°
C17	CD2	CE3	117.8°	119.7°
C20	C17	H17	120.2°	120.1°
C17	C20	C21	119.9°	120.1°
C17	C20	H20	120.1°	120.0°
C21	C20	H20	120.1°	119.9°
C20	C21	CZ3	122.1°	120.3°
C20	C21	H21	119.0°	119.9°
CZ3	C21	H21	118.9°	119.8°
C21	CZ3	CE3	118.0°	120.2°
C21	CZ3	HZ3	121.0°	119.9°
CA1	CH2	HH2	106.5°	109.4°
CA1	CH2	HH2A	104.3°	109.5°
HB1	CB1	HB1A	112.2°	109.4°
OG1	CB2	OG2	124.0°	120.0°
CB2	OG2	HOG2	109.5°	117.0°
CG3	CD2	CE3	119.0°	120.1°
CD2	CE3	CZ3	122.6°	119.8°
CD2	CE3	HE3	118.7°	120.1°
CZ3	CE3	HE3	118.7°	120.1°
CE3	CZ3	HZ3	121.0°	119.9°
CG2	CG1	HG1	111.0°	110.5°
CG2	CG1	HG1A	112.0°	110.4°
CG1	CG2	HG2	110.6°	110.1°
CG1	CG2	HG2A	111.3°	110.0°
HG1	CG1	HG1A	106.1°	110.6°
HG2	CG2	HG2A	106.9°	110.1°
HH2	CH2	HH2A	117.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA1	C	O	N	178.1°	179.7°
CA1	C	N	C11	179.0°	175.7°
CA1	C	N	HN	0.9°	4.4°
C	CA1	C4	C5	117.6°	118.7°
C	CA1	C4	CH2	122.4°	122.5°
C	CA1	C4	CG1	94.3°	80.7°
C	CA1	C4	H4	25.7°	37.5°
C	CA1	C4	H4A	145.5°	161.0°
C	CA1	C5	CH2	119.3°	122.6°
C	CA1	C5	CG2	81.1°	95.1°
C	CA1	C5	H5	158.9°	145.7°
C	CA1	C5	H5A	40.6°	24.3°
C	CA1	CH2	CA	48.2°	63.5°
C	CA1	CH2	HH2	168.2°	56.4°
C	CA1	CH2	HH2A	67.4°	176.5°
O	C	N	C11	0.7°	3.9°
O	C	N	HN	179.3°	176.0°
O	C	CA1	C4	13.0°	141.6°
O	C	CA1	C5	124.3°	26.8°
O	C	CA1	CH2	114.6°	95.9°
C	N	C11	HN	180.0°	179.9°
C	N	C11	C1	50.4°	101.6°
N	C	CA1	C4	165.4°	38.1°
N	C	CA1	C5	54.1°	152.9°
C	N	C11	CH	76.7°	138.5°
C	N	C11	H11	167.3°	18.5°
N	C	CA1	CH2	66.9°	84.5°
N	C11	C1	OXT	79.1°	20.9°
N	C11	C1	O1	96.1°	159.0°
N	C11	C1	CH	121.0°	120.0°
N	C11	C1	H11	123.6°	120.0°
N	C11	CH	H11	123.5°	120.0°
N	C11	CH	CZ1	172.5°	65.0°
N	C11	CH	HH	67.5°	175.0°
N	C11	CH	HHA	56.3°	55.0°
HN	N	C11	C1	129.6°	78.3°
HN	N	C11	CH	103.3°	41.6°
HN	N	C11	H11	12.7°	161.6°
OXT	C1	O1	C11	175.1°	179.9°
OXT	C1	O1	HO1	0.0°	0.0°
OXT	C1	C11	CH	159.9°	99.0°
OXT	C1	C11	H11	44.5°	141.0°
O1	C1	C11	CH	24.9°	81.0°
O1	C1	C11	H11	140.3°	39.0°
C11	C1	O1	HO1	175.1°	180.0°
C1	C11	CH	H11	116.3°	120.0°
C1	C11	CH	CZ1	67.3°	175.0°
C1	C11	CH	HH	52.7°	55.0°
C1	C11	CH	HHA	176.5°	65.0°
N3	CZ1	O6	CH	179.4°	179.9°
N3	CZ1	O6	CG3	0.6°	0.0°
CZ1	N3	CB	CG3	0.6°	0.1°
CZ1	N3	CB	HB	179.3°	180.0°
N3	CZ1	CH	C11	30.5°	90.1°
N3	CZ1	CH	HH	150.4°	29.9°
N3	CZ1	CH	HHA	85.7°	149.9°
CB	N3	CZ1	O6	0.0°	0.1°
N3	CB	CG3	O6	1.0°	0.1°
N3	CB	CG3	HB	180.0°	179.9°
CB	N3	CZ1	CH	179.3°	180.0°
N3	CB	CG3	CD2	178.6°	180.0°
CA1	C4	CG1	H4	120.0°	118.3°
CA1	C4	CG1	H4A	120.1°	118.3°
CA1	C4	H4	H4A	120.1°	123.4°
C4	CA1	C5	CH2	124.1°	118.7°
C4	CA1	C5	CG2	35.5°	23.6°
C4	CA1	C5	H5	84.5°	95.7°
C4	CA1	C5	H5A	157.2°	142.9°
C4	CA1	CH2	CA	75.5°	174.0°
CA1	C4	CG1	CG2	2.3°	37.9°
CA1	C4	CG1	HG1	117.7°	80.7°
CA1	C4	CG1	HG1A	124.0°	156.6°
C4	CA1	CH2	HH2	44.6°	66.1°
C4	CA1	CH2	HH2A	169.0°	53.9°
CG1	C4	H4	H4A	120.2°	123.3°
CG1	C4	CA1	C5	23.3°	37.9°
C4	CG1	CG2	C5	20.5°	23.6°
CG1	C4	CA1	CH2	143.3°	156.7°
C4	CG1	CG2	HG1	120.0°	118.7°
C4	CG1	CG2	HG1A	121.7°	118.7°
C4	CG1	HG1	HG1A	121.8°	122.7°
C4	CG1	CG2	HG2	140.5°	95.6°
C4	CG1	CG2	HG2A	100.8°	142.9°
H4	C4	CA1	C5	143.3°	156.2°
H4	C4	CA1	CH2	96.7°	85.0°
H4	C4	CG1	CG2	122.3°	156.3°
H4	C4	CG1	HG1	2.3°	37.6°
H4	C4	CG1	HG1A	116.0°	85.1°
H4A	C4	CA1	C5	96.9°	80.3°
H4A	C4	CA1	CH2	23.1°	38.5°
H4A	C4	CG1	CG2	117.9°	80.4°
H4A	C4	CG1	HG1	122.1°	161.0°
H4A	C4	CG1	HG1A	3.8°	38.3°
CA1	C5	CG2	H5	120.0°	119.2°
CA1	C5	CG2	H5A	121.7°	119.4°
CA1	C5	H5	H5A	121.9°	121.4°
C5	CA1	CH2	CA	169.7°	59.1°
CA1	C5	CG2	CG1	35.8°	0.0°
CA1	C5	CG2	HG2	155.9°	119.3°
CA1	C5	CG2	HG2A	85.5°	119.3°
C5	CA1	CH2	HH2	70.3°	179.0°
C5	CA1	CH2	HH2A	54.1°	60.9°
CG2	C5	H5	H5A	121.9°	121.4°
CG2	C5	CA1	CH2	159.6°	142.3°
C5	CG2	CG1	HG2	120.0°	119.3°
C5	CG2	CG1	HG2A	121.3°	119.2°
C5	CG2	CG1	HG1	140.4°	95.1°
C5	CG2	CG1	HG1A	101.2°	142.3°
C5	CG2	HG2	HG2A	121.3°	121.4°
H5	C5	CA1	CH2	39.6°	23.1°
H5	C5	CG2	CG1	84.2°	119.3°
H5	C5	CG2	HG2	35.9°	0.0°
H5	C5	CG2	HG2A	154.6°	121.5°
H5A	C5	CA1	CH2	78.7°	98.3°
H5A	C5	CG2	CG1	157.5°	119.3°
H5A	C5	CG2	HG2	82.4°	121.4°
H5A	C5	CG2	HG2A	36.3°	0.1°
CZ1	O6	CG3	CB	1.0°	0.1°
O6	CZ1	CH	C11	150.2°	90.0°
O6	CZ1	CH	HH	30.2°	150.0°
O6	CZ1	CH	HHA	93.6°	30.0°
CZ1	O6	CG3	CD2	178.6°	180.0°
O6	CG3	CB	CD2	179.6°	179.9°
O6	CG3	CB	HB	179.0°	180.0°
CG3	O6	CZ1	CH	180.0°	179.9°
O6	CG3	CD2	C17	179.0°	179.9°
O6	CG3	CD2	CE3	0.1°	0.0°
CB2	CA	CB1	CH2	116.5°	120.0°
CB2	CA	CB1	HA	123.1°	120.0°
CB2	CA	CH2	HA	123.1°	120.0°
CB2	CA	CB1	CG	70.8°	65.0°
CB2	CA	CH2	CA1	81.3°	59.2°
CB2	CA	CB1	HB1	169.2°	175.0°
CB2	CA	CB1	HB1A	47.7°	55.1°
CA	CB2	OG1	OG2	172.9°	180.0°
CA	CB2	OG2	HOG2	174.5°	180.0°
CB2	CA	CH2	HH2	38.7°	60.7°
CB2	CA	CH2	HH2A	163.1°	179.2°
CB1	CA	CH2	HA	117.5°	120.0°
CA	CB1	CG	CD	174.5°	180.0°
CA	CB1	CG	HB1	120.0°	120.0°
CA	CB1	CG	HB1A	118.5°	120.0°
CA	CB1	CG	HG	54.5°	60.0°
CA	CB1	CG	HGA	67.8°	60.1°
CB1	CA	CH2	CA1	159.2°	179.2°
CA	CB1	HB1	HB1A	118.5°	120.0°
CB1	CA	CB2	OG1	81.5°	91.6°
CB1	CA	CB2	OG2	104.6°	88.4°
CB1	CA	CH2	HH2	80.8°	59.3°
CB1	CA	CH2	HH2A	43.6°	60.8°
CH2	CA	CB1	CG	172.7°	174.9°
CA	CH2	CA1	HH2	120.0°	119.9°
CA	CH2	CA1	HH2A	115.6°	120.0°
CH2	CA	CB1	HB1	52.7°	54.9°
CH2	CA	CB1	HB1A	68.8°	65.0°
CH2	CA	CB2	OG1	40.8°	28.4°
CH2	CA	CB2	OG2	133.1°	151.6°
CA	CH2	HH2	HH2A	116.2°	120.0°
HA	CA	CB1	CG	52.3°	55.0°
HA	CA	CH2	CA1	41.7°	60.8°
HA	CA	CB1	HB1	67.7°	65.0°
HA	CA	CB1	HB1A	170.8°	175.0°
HA	CA	CB2	OG1	161.1°	148.4°
HA	CA	CB2	OG2	12.8°	31.6°
HA	CA	CH2	HH2	161.7°	179.3°
HA	CA	CH2	HH2A	73.8°	59.2°
CB	CG3	CD2	C17	0.5°	0.0°
CB	CG3	CD2	CE3	179.6°	180.0°
HB	CB	CG3	CD2	1.4°	0.0°
CG	CD	HD	HDA	120.0°	120.0°
CG	CD	HD	HDB	120.0°	120.0°
CG	CD	HDA	HDB	120.0°	120.0°
CD	CG	CB1	HG	120.0°	120.0°
CD	CG	CB1	HGA	117.7°	119.9°
CD	CG	HG	HGA	117.9°	119.9°
CD	CG	CB1	HB1	54.5°	60.0°
CD	CG	CB1	HB1A	67.0°	60.0°
HD	CD	HDA	HDB	120.0°	120.0°
HD	CD	CG	CB1	64.1°	60.0°
HD	CD	CG	HG	56.0°	60.0°
HD	CD	CG	HGA	178.2°	180.0°
HDA	CD	CG	CB1	55.9°	60.0°
HDA	CD	CG	HG	176.0°	180.0°
HDA	CD	CG	HGA	61.8°	60.0°
HDB	CD	CG	CB1	176.0°	179.9°
HDB	CD	CG	HG	64.0°	60.0°
HDB	CD	CG	HGA	58.2°	60.0°
CB1	CG	HG	HGA	117.9°	120.1°
CG	CB1	HB1	HB1A	118.6°	120.1°
HG	CG	CB1	HB1	65.5°	60.0°
HG	CG	CB1	HB1A	172.9°	180.0°
HGA	CG	CB1	HB1	172.2°	180.0°
HGA	CG	CB1	HB1A	50.7°	60.0°
C11	CH	CZ1	HH	120.0°	120.0°
C11	CH	CZ1	HHA	116.2°	120.0°
C11	CH	HH	HHA	116.6°	120.1°
CZ1	CH	HH	HHA	116.7°	120.0°
CZ1	CH	C11	H11	49.0°	55.0°
HH	CH	C11	H11	169.0°	65.0°
HHA	CH	C11	H11	67.2°	175.0°
CD2	C17	C20	H17	180.0°	179.7°
CD2	C17	C20	C21	1.7°	0.3°
CD2	C17	C20	H20	178.3°	179.7°
C17	CD2	CG3	CE3	179.1°	180.0°
C17	CD2	CE3	CZ3	0.1°	0.4°
C17	CD2	CE3	HE3	179.9°	180.0°
C17	C20	C21	H20	180.0°	180.0°
C17	C20	C21	CZ3	2.2°	0.0°
C17	C20	C21	H21	177.8°	180.0°
C20	C17	CD2	CG3	179.7°	180.0°
C20	C17	CD2	CE3	0.6°	0.1°
H17	C17	C20	C21	178.3°	179.9°
H17	C17	C20	H20	1.7°	0.0°
H17	C17	CD2	CG3	0.3°	0.3°
H17	C17	CD2	CE3	179.4°	179.8°
C20	C21	CZ3	H21	180.0°	179.9°
C20	C21	CZ3	CE3	1.5°	0.6°
C20	C21	CZ3	HZ3	178.4°	179.8°
H20	C20	C21	CZ3	177.8°	180.0°
H20	C20	C21	H21	2.2°	0.1°
C21	CZ3	CE3	CD2	0.4°	0.7°
C21	CZ3	CE3	HZ3	180.0°	179.2°
C21	CZ3	CE3	HE3	179.6°	179.7°
H21	C21	CZ3	CE3	178.5°	179.5°
H21	C21	CZ3	HZ3	1.5°	0.3°
CA1	CH2	HH2	HH2A	116.2°	120.0°
OG1	CB2	OG2	HOG2	0.0°	0.1°
CG3	CD2	CE3	CZ3	179.1°	179.5°
CG3	CD2	CE3	HE3	0.9°	0.0°
CD2	CE3	CZ3	HE3	180.0°	179.6°
CD2	CE3	CZ3	HZ3	179.6°	180.0°
HE3	CE3	CZ3	HZ3	0.4°	0.5°
CG2	CG1	HG1	HG1A	121.8°	122.6°
CG1	CG2	HG2	HG2A	121.4°	121.5°
HG1	CG1	CG2	HG2	99.6°	145.7°
HG1	CG1	CG2	HG2A	19.2°	24.2°
HG1A	CG1	CG2	HG2	18.8°	23.0°
HG1A	CG1	CG2	HG2A	137.5°	98.5°

Definition date:	2011-03-03
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2YB9