0ZY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C	doub	1.22Å	1.24Å
C	O2	sing	1.35Å	1.40Å
C	N	sing	1.35Å	1.33Å
O2	CT	sing	1.45Å	1.44Å
CT	C1	sing	1.53Å	1.56Å
CT	C2	sing	1.53Å	1.55Å
CT	C3	sing	1.53Å	1.56Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C3	H33	sing	1.09Å	1.10Å
N	CA	sing	1.47Å	1.45Å
N	H	sing	0.97Å	1.00Å
CA	C4	sing	1.51Å	1.52Å
CA	CB	sing	1.53Å	1.52Å
CA	HA	sing	1.09Å	1.10Å
C4	O	doub	1.21Å	1.25Å
C4	N1	sing	1.35Å	1.34Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
N1	CA1	sing	1.46Å	1.45Å
N1	H1	sing	0.97Å	1.00Å
CA1	C5	sing	1.51Å	1.53Å
CA1	CB1	sing	1.53Å	1.56Å
CA1	HA1	sing	1.09Å	1.10Å
C5	O3	doub	1.21Å	1.25Å
C5	N2	sing	1.35Å	1.34Å
CB1	CG1	sing	1.53Å	1.49Å
CB1	CG2	sing	1.53Å	1.48Å
CB1	HB	sing	1.09Å	1.10Å
CG1	HG11	sing	1.09Å	1.10Å
CG1	HG12	sing	1.09Å	1.10Å
CG1	HG13	sing	1.09Å	1.10Å
CG2	HG21	sing	1.09Å	1.10Å
CG2	HG22	sing	1.09Å	1.10Å
CG2	HG23	sing	1.09Å	1.10Å
N2	CA2	sing	1.47Å	1.47Å
CA2	B	sing	1.57Å	1.64Å
CA2	HA2	sing	1.09Å	1.10Å
CB2	CA2	sing	1.53Å	1.55Å
CB2	HB4	sing	1.09Å	1.10Å
CB2	HBA	sing	1.09Å	1.10Å
CG	CB2	sing	1.53Å	1.52Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CD	CG	sing	1.53Å	1.52Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
CE	CD	sing	1.53Å	1.52Å
CE	HE	sing	1.09Å	1.10Å
CE	HEA	sing	1.09Å	1.10Å
NZ	CE	sing	1.47Å	1.45Å
NZ	HNZA	sing	1.01Å	1.00Å
NZ	HNZ	sing	1.01Å	1.00Å
B	O4	sing	1.42Å	1.46Å
B	O21	sing	1.42Å	1.79Å
O21	C6	sing	1.43Å	1.52Å
C6	H2	sing	1.09Å	1.10Å
C6	HC	sing	1.09Å	1.10Å
C6	HF	sing	1.09Å	1.10Å
HN	N2	sing	0.97Å	1.00Å
HNZB	NZ	sing	1.01Å	1.00Å
HO	O4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C	O2	121.3°	120.0°
O1	C	N	120.2°	120.0°
O2	C	N	118.5°	120.0°
C	O2	CT	129.5°	117.0°
C	N	CA	122.9°	120.0°
C	N	H	118.6°	120.0°
O2	CT	C1	109.5°	109.5°
O2	CT	C2	113.9°	109.4°
O2	CT	C3	108.7°	109.5°
C1	CT	C2	103.4°	109.5°
C1	CT	C3	113.8°	109.5°
CT	C1	H11	109.5°	109.5°
CT	C1	H12	109.5°	109.5°
CT	C1	H13	109.5°	109.5°
C2	CT	C3	107.5°	109.5°
CT	C2	H21	109.5°	109.5°
CT	C2	H22	109.5°	109.4°
CT	C2	H23	109.4°	109.5°
CT	C3	H31	109.5°	109.5°
CT	C3	H32	109.4°	109.5°
CT	C3	H33	109.5°	109.5°
H11	C1	H12	109.4°	109.5°
H11	C1	H13	109.5°	109.4°
H12	C1	H13	109.5°	109.5°
H21	C2	H22	109.5°	109.5°
H21	C2	H23	109.5°	109.5°
H22	C2	H23	109.5°	109.5°
H31	C3	H32	109.5°	109.5°
H31	C3	H33	109.5°	109.4°
H32	C3	H33	109.5°	109.5°
CA	N	H	118.6°	120.0°
N	CA	C4	112.8°	109.4°
N	CA	CB	110.7°	109.5°
N	CA	HA	105.8°	109.5°
C4	CA	CB	107.8°	109.5°
C4	CA	HA	108.8°	109.4°
CA	C4	O	124.3°	120.0°
CA	C4	N1	110.0°	120.0°
CB	CA	HA	111.0°	109.5°
CA	CB	HB1	109.5°	109.5°
CA	CB	HB2	109.4°	109.4°
CA	CB	HB3	109.5°	109.4°
O	C4	N1	125.6°	120.0°
C4	N1	CA1	126.5°	120.0°
C4	N1	H1	116.8°	120.0°
HB1	CB	HB2	109.5°	109.5°
HB1	CB	HB3	109.4°	109.5°
HB2	CB	HB3	109.5°	109.4°
CA1	N1	H1	116.8°	120.0°
N1	CA1	C5	106.8°	109.5°
N1	CA1	CB1	100.9°	109.5°
N1	CA1	HA1	120.0°	109.5°
C5	CA1	CB1	118.6°	109.4°
C5	CA1	HA1	102.9°	109.5°
CA1	C5	O3	118.4°	120.0°
CA1	C5	N2	119.7°	120.1°
CB1	CA1	HA1	108.6°	109.5°
CA1	CB1	CG1	116.0°	109.5°
CA1	CB1	CG2	105.0°	109.5°
CA1	CB1	HB	108.8°	109.5°
O3	C5	N2	121.8°	119.9°
C5	N2	CA2	122.9°	120.1°
C5	N2	HN	118.5°	120.0°
CG1	CB1	CG2	111.2°	109.5°
CG1	CB1	HB	102.3°	109.5°
CB1	CG1	HG11	109.5°	109.5°
CB1	CG1	HG12	109.5°	109.5°
CB1	CG1	HG13	109.5°	109.5°
CG2	CB1	HB	113.8°	109.4°
CB1	CG2	HG21	109.5°	109.4°
CB1	CG2	HG22	109.5°	109.4°
CB1	CG2	HG23	109.5°	109.5°
HG11	CG1	HG12	109.4°	109.4°
HG11	CG1	HG13	109.4°	109.5°
HG12	CG1	HG13	109.5°	109.5°
HG21	CG2	HG22	109.5°	109.5°
HG21	CG2	HG23	109.4°	109.5°
HG22	CG2	HG23	109.5°	109.5°
N2	CA2	B	106.4°	109.5°
N2	CA2	HA2	115.0°	109.5°
N2	CA2	CB2	107.4°	109.5°
CA2	N2	HN	118.6°	120.0°
B	CA2	HA2	107.1°	109.5°
B	CA2	CB2	115.3°	109.5°
CA2	B	O4	110.6°	120.0°
CA2	B	O21	125.7°	120.0°
HA2	CA2	CB2	106.1°	109.4°
CA2	CB2	HB4	110.7°	109.5°
CA2	CB2	HBA	111.4°	109.4°
CA2	CB2	CG	106.0°	109.5°
HB4	CB2	HBA	106.8°	109.5°
HB4	CB2	CG	110.6°	109.5°
HBA	CB2	CG	111.4°	109.4°
CB2	CG	HG	109.2°	109.5°
CB2	CG	HGA	109.1°	109.5°
CB2	CG	CD	110.1°	109.5°
HG	CG	HGA	110.0°	109.5°
HG	CG	CD	109.2°	109.5°
HGA	CG	CD	109.1°	109.4°
CG	CD	HD	108.9°	109.5°
CG	CD	HDA	108.4°	109.5°
CG	CD	CE	111.4°	109.5°
HD	CD	HDA	111.0°	109.4°
HD	CD	CE	108.8°	109.5°
HDA	CD	CE	108.4°	109.5°
CD	CE	HE	109.2°	109.5°
CD	CE	HEA	109.1°	109.5°
CD	CE	NZ	110.2°	109.5°
HE	CE	HEA	110.0°	109.4°
HE	CE	NZ	109.2°	109.4°
HEA	CE	NZ	109.1°	109.5°
CE	NZ	HNZA	109.5°	109.5°
CE	NZ	HNZ	109.4°	109.4°
CE	NZ	HNZB	109.5°	109.5°
HNZA	NZ	HNZ	109.5°	109.5°
HNZA	NZ	HNZB	109.5°	109.4°
HNZ	NZ	HNZB	109.5°	109.4°
O4	B	O21	114.1°	120.0°
B	O4	HO	109.5°	114.0°
B	O21	C6	101.5°	114.0°
O21	C6	H2	109.5°	109.5°
O21	C6	HC	109.5°	109.4°
O21	C6	HF	109.5°	109.5°
H2	C6	HC	109.5°	109.4°
H2	C6	HF	109.5°	109.5°
HC	C6	HF	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C	O2	N	178.6°	179.7°
O1	C	O2	CT	24.2°	0.0°
O1	C	N	CA	0.1°	0.1°
O1	C	N	H	179.9°	180.0°
C	O2	CT	C1	51.3°	60.1°
C	O2	CT	C2	166.5°	180.0°
C	O2	CT	C3	73.6°	60.0°
O2	C	N	CA	178.8°	179.8°
O2	C	N	H	1.3°	0.3°
N	C	O2	CT	157.1°	179.7°
C	N	CA	H	180.0°	179.9°
C	N	CA	C4	151.9°	155.0°
C	N	CA	CB	87.2°	85.0°
C	N	CA	HA	33.1°	35.1°
O2	CT	C1	C2	121.8°	119.9°
O2	CT	C1	C3	121.9°	120.1°
O2	CT	C2	C3	120.5°	120.0°
O2	CT	C1	H11	30.4°	59.9°
O2	CT	C1	H12	89.5°	180.0°
O2	CT	C1	H13	150.5°	60.0°
O2	CT	C2	H21	30.9°	60.0°
O2	CT	C2	H22	89.1°	179.9°
O2	CT	C2	H23	150.9°	60.0°
O2	CT	C3	H31	123.8°	60.0°
O2	CT	C3	H32	3.8°	180.0°
O2	CT	C3	H33	116.2°	59.9°
C1	CT	C2	C3	120.7°	120.0°
CT	C1	H11	H12	120.0°	120.0°
CT	C1	H11	H13	120.0°	120.0°
CT	C1	H12	H13	120.0°	120.0°
C1	CT	C2	H21	87.9°	180.0°
C1	CT	C2	H22	152.1°	60.0°
C1	CT	C2	H23	32.1°	60.0°
C1	CT	C3	H31	113.9°	60.1°
C1	CT	C3	H32	126.2°	60.0°
C1	CT	C3	H33	6.1°	180.0°
C2	CT	C1	H11	152.2°	60.0°
C2	CT	C1	H12	32.2°	60.0°
C2	CT	C1	H13	87.8°	179.9°
CT	C2	H21	H22	120.0°	120.0°
CT	C2	H21	H23	120.0°	120.0°
CT	C2	H22	H23	120.0°	120.0°
C2	CT	C3	H31	0.1°	179.9°
C2	CT	C3	H32	119.9°	60.0°
C2	CT	C3	H33	120.1°	60.0°
C3	CT	C1	H11	91.5°	180.0°
C3	CT	C1	H12	148.6°	59.9°
C3	CT	C1	H13	28.6°	60.1°
C3	CT	C2	H21	151.4°	60.0°
C3	CT	C2	H22	31.4°	60.0°
C3	CT	C2	H23	88.6°	180.0°
CT	C3	H31	H32	120.0°	120.1°
CT	C3	H31	H33	120.0°	119.9°
CT	C3	H32	H33	120.0°	120.1°
H11	C1	H12	H13	120.0°	120.0°
H21	C2	H22	H23	120.0°	120.0°
H31	C3	H32	H33	120.0°	119.9°
N	CA	C4	CB	122.5°	120.1°
N	CA	C4	HA	117.0°	119.9°
N	CA	CB	HA	117.1°	120.0°
N	CA	C4	O	31.6°	0.1°
N	CA	C4	N1	147.4°	180.0°
N	CA	CB	HB1	0.6°	180.0°
N	CA	CB	HB2	119.4°	60.0°
N	CA	CB	HB3	120.6°	60.0°
H	N	CA	C4	28.1°	25.1°
H	N	CA	CB	92.8°	95.0°
H	N	CA	HA	146.9°	145.0°
C4	CA	CB	HA	119.1°	120.0°
CA	C4	O	N1	178.8°	179.9°
C4	CA	CB	HB1	124.4°	60.0°
C4	CA	CB	HB2	4.4°	180.0°
C4	CA	CB	HB3	115.6°	60.0°
CA	C4	N1	CA1	179.1°	180.0°
CA	C4	N1	H1	0.9°	0.0°
CB	CA	C4	O	90.9°	120.0°
CB	CA	C4	N1	90.1°	60.0°
CA	CB	HB1	HB2	120.0°	120.0°
CA	CB	HB1	HB3	120.0°	120.0°
CA	CB	HB2	HB3	120.0°	119.9°
HA	CA	C4	O	148.6°	120.0°
HA	CA	C4	N1	30.3°	60.1°
HA	CA	CB	HB1	116.5°	60.0°
HA	CA	CB	HB2	123.4°	60.1°
HA	CA	CB	HB3	3.4°	180.0°
O	C4	N1	CA1	0.2°	0.0°
O	C4	N1	H1	179.9°	180.0°
C4	N1	CA1	H1	180.0°	180.0°
C4	N1	CA1	C5	72.5°	155.0°
C4	N1	CA1	CB1	163.0°	85.0°
C4	N1	CA1	HA1	43.9°	35.0°
HB1	CB	HB2	HB3	120.0°	120.0°
N1	CA1	C5	CB1	112.9°	120.0°
N1	CA1	C5	HA1	127.2°	120.0°
N1	CA1	CB1	HA1	127.0°	120.0°
N1	CA1	C5	O3	37.9°	17.5°
N1	CA1	C5	N2	138.3°	162.5°
N1	CA1	CB1	CG1	117.2°	65.6°
N1	CA1	CB1	CG2	119.6°	174.4°
N1	CA1	CB1	HB	2.5°	54.4°
H1	N1	CA1	C5	107.5°	25.0°
H1	N1	CA1	CB1	17.0°	95.0°
H1	N1	CA1	HA1	136.2°	145.0°
C5	CA1	CB1	HA1	116.8°	120.0°
CA1	C5	O3	N2	176.1°	180.0°
C5	CA1	CB1	CG1	1.0°	54.5°
C5	CA1	CB1	CG2	124.2°	65.6°
C5	CA1	CB1	HB	113.6°	174.5°
CA1	C5	N2	CA2	179.9°	174.8°
CA1	C5	N2	HN	0.1°	5.3°
CB1	CA1	C5	O3	75.1°	102.6°
CB1	CA1	C5	N2	108.7°	77.5°
CA1	CB1	CG1	CG2	119.9°	120.1°
CA1	CB1	CG1	HB	118.3°	120.0°
CA1	CB1	CG2	HB	118.9°	120.0°
CA1	CB1	CG1	HG11	38.2°	55.8°
CA1	CB1	CG1	HG12	81.7°	175.8°
CA1	CB1	CG1	HG13	158.2°	64.2°
CA1	CB1	CG2	HG21	128.4°	59.7°
CA1	CB1	CG2	HG22	8.4°	60.3°
CA1	CB1	CG2	HG23	111.6°	179.6°
HA1	CA1	C5	O3	165.1°	137.5°
HA1	CA1	C5	N2	11.1°	42.5°
HA1	CA1	CB1	CG1	115.8°	174.4°
HA1	CA1	CB1	CG2	7.4°	54.4°
HA1	CA1	CB1	HB	129.6°	65.6°
O3	C5	N2	CA2	4.0°	5.2°
O3	C5	N2	HN	176.0°	174.8°
C5	N2	CA2	HN	180.0°	179.9°
C5	N2	CA2	B	99.7°	104.3°
C5	N2	CA2	HA2	18.6°	15.7°
C5	N2	CA2	CB2	136.4°	135.7°
CG1	CB1	CG2	HB	114.9°	120.0°
CB1	CG1	HG11	HG12	120.0°	120.0°
CB1	CG1	HG11	HG13	120.0°	120.0°
CB1	CG1	HG12	HG13	120.0°	120.0°
CG1	CB1	CG2	HG21	2.3°	60.4°
CG1	CB1	CG2	HG22	117.8°	179.7°
CG1	CB1	CG2	HG23	122.2°	59.6°
CG2	CB1	CG1	HG11	158.1°	64.2°
CG2	CB1	CG1	HG12	38.1°	55.7°
CG2	CB1	CG1	HG13	81.9°	175.8°
CB1	CG2	HG21	HG22	120.0°	119.9°
CB1	CG2	HG21	HG23	120.0°	120.0°
CB1	CG2	HG22	HG23	120.0°	120.0°
HB	CB1	CG1	HG11	80.0°	175.9°
HB	CB1	CG1	HG12	160.0°	64.2°
HB	CB1	CG1	HG13	39.9°	55.8°
HB	CB1	CG2	HG21	112.7°	179.6°
HB	CB1	CG2	HG22	127.3°	59.7°
HB	CB1	CG2	HG23	7.3°	60.4°
HG11	CG1	HG12	HG13	120.0°	120.0°
HG21	CG2	HG22	HG23	119.9°	120.0°
N2	CA2	B	HA2	123.5°	120.0°
N2	CA2	B	CB2	118.8°	120.1°
N2	CA2	HA2	CB2	118.5°	120.0°
N2	CA2	CB2	HB4	53.3°	54.7°
N2	CA2	CB2	HBA	172.0°	65.2°
N2	CA2	CB2	CG	66.7°	174.8°
N2	CA2	B	O4	47.9°	55.9°
N2	CA2	B	O21	168.3°	124.2°
B	CA2	HA2	CB2	123.6°	120.0°
B	CA2	CB2	HB4	65.0°	174.8°
B	CA2	CB2	HBA	53.7°	54.8°
B	CA2	CB2	CG	175.0°	65.1°
CA2	B	O4	O21	148.3°	179.9°
CA2	B	O21	C6	140.1°	5.0°
B	CA2	N2	HN	80.3°	75.7°
CA2	B	O4	HO	2.8°	5.1°
HA2	CA2	CB2	HB4	176.8°	65.2°
HA2	CA2	CB2	HBA	64.6°	174.8°
HA2	CA2	CB2	CG	56.8°	54.8°
HA2	CA2	B	O4	75.5°	175.9°
HA2	CA2	B	O21	68.3°	4.2°
HA2	CA2	N2	HN	161.4°	164.3°
CA2	CB2	HB4	HBA	121.4°	120.0°
CA2	CB2	HB4	CG	117.2°	120.0°
CA2	CB2	HBA	CG	118.1°	120.0°
CA2	CB2	CG	HG	59.2°	55.2°
CA2	CB2	CG	HGA	61.1°	64.8°
CA2	CB2	CG	CD	179.2°	175.2°
CB2	CA2	B	O4	166.7°	64.2°
CB2	CA2	B	O21	49.4°	115.8°
CB2	CA2	N2	HN	43.6°	44.4°
HB4	CB2	HBA	CG	120.9°	120.0°
HB4	CB2	CG	HG	179.3°	175.3°
HB4	CB2	CG	HGA	59.0°	55.2°
HB4	CB2	CG	CD	60.8°	64.7°
HBA	CB2	CG	HG	62.1°	64.7°
HBA	CB2	CG	HGA	177.6°	175.2°
HBA	CB2	CG	CD	57.9°	55.3°
CB2	CG	HG	HGA	119.7°	120.0°
CB2	CG	HG	CD	120.5°	120.0°
CB2	CG	HGA	CD	120.4°	120.0°
CB2	CG	CD	HD	47.1°	60.0°
CB2	CG	CD	HDA	73.7°	60.0°
CB2	CG	CD	CE	167.1°	180.0°
HG	CG	HGA	CD	119.8°	120.0°
HG	CG	CD	HD	167.0°	180.0°
HG	CG	CD	HDA	46.2°	60.1°
HG	CG	CD	CE	73.0°	60.0°
HGA	CG	CD	HD	72.7°	60.0°
HGA	CG	CD	HDA	166.5°	180.0°
HGA	CG	CD	CE	47.3°	60.0°
CG	CD	HD	HDA	119.2°	120.0°
CG	CD	HD	CE	121.6°	120.0°
CG	CD	HDA	CE	121.0°	120.0°
CG	CD	CE	HE	59.5°	60.0°
CG	CD	CE	HEA	60.8°	60.0°
CG	CD	CE	NZ	179.5°	179.9°
HD	CD	HDA	CE	119.5°	120.0°
HD	CD	CE	HE	179.5°	180.0°
HD	CD	CE	HEA	59.2°	60.1°
HD	CD	CE	NZ	60.5°	60.0°
HDA	CD	CE	HE	59.7°	60.0°
HDA	CD	CE	HEA	180.0°	NaN°
HDA	CD	CE	NZ	60.3°	59.9°
CD	CE	HE	HEA	119.7°	120.0°
CD	CE	HE	NZ	120.6°	120.0°
CD	CE	HEA	NZ	120.4°	120.1°
CD	CE	NZ	HNZA	1.8°	60.0°
CD	CE	NZ	HNZ	118.2°	60.1°
CD	CE	NZ	HNZB	121.8°	180.0°
HE	CE	HEA	NZ	119.8°	120.0°
HE	CE	NZ	HNZA	121.8°	60.0°
HE	CE	NZ	HNZ	1.8°	180.0°
HE	CE	NZ	HNZB	118.2°	60.0°
HEA	CE	NZ	HNZA	117.9°	179.9°
HEA	CE	NZ	HNZ	122.1°	60.0°
HEA	CE	NZ	HNZB	2.1°	60.0°
CE	NZ	HNZA	HNZ	120.0°	120.0°
CE	NZ	HNZA	HNZB	120.0°	120.0°
CE	NZ	HNZ	HNZB	120.0°	120.0°
HNZA	NZ	HNZ	HNZB	120.0°	119.9°
O4	B	O21	C6	2.7°	174.9°
B	O21	C6	H2	32.7°	55.1°
B	O21	C6	HC	152.7°	175.0°
B	O21	C6	HF	87.3°	65.0°
O21	B	O4	HO	151.1°	175.0°
O21	C6	H2	HC	120.0°	119.9°
O21	C6	H2	HF	120.0°	120.0°
O21	C6	HC	HF	120.0°	120.0°
H2	C6	HC	HF	120.0°	120.0°

Definition date:	2008-08-19
Last modified:	2011-07-13
Release status:	REL
Processing site:	RCSB
Sub-components:	BOC ALA VAL MJS
Derived from:	1BTZ