0H8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.27Å
C1	O2	sing	1.34Å	1.43Å
C1	C2	sing	1.51Å	1.53Å
O2	HO2	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.51Å	1.51Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	O4	doub	1.21Å	1.23Å
C4	N	sing	1.35Å	1.33Å
N	CA	sing	1.46Å	1.45Å
N	H	sing	0.97Å	1.00Å
CA	C	sing	1.51Å	1.53Å
CA	CB	sing	1.53Å	1.56Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.23Å
C	N1	sing	1.35Å	1.35Å
CB	CG1	sing	1.53Å	1.51Å
CB	CG2	sing	1.53Å	1.51Å
CB	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
N1	CA1	sing	1.47Å	1.47Å
N1	CD	sing	1.47Å	1.47Å
CA1	C5	sing	1.51Å	1.53Å
CA1	CB1	sing	1.54Å	1.54Å
CA1	HA1	sing	1.09Å	1.10Å
C5	O3	doub	1.21Å	1.22Å
C5	N2	sing	1.35Å	1.33Å
CB1	CG	sing	1.55Å	1.47Å
CB1	HB2	sing	1.09Å	1.10Å
CB1	HB3	sing	1.09Å	1.10Å
CG	CD	sing	1.55Å	1.51Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
CD	HD3	sing	1.09Å	1.10Å
N2	CA2	sing	1.46Å	1.06Å
N2	HN2	sing	0.97Å	1.00Å
CA2	P	sing	1.82Å	1.82Å
CA2	CB2	sing	1.53Å	1.53Å
CA2	HA2	sing	1.09Å	1.10Å
P	O1P	doub	1.48Å	1.55Å
P	O2P	sing	1.61Å	1.58Å
O2P	HOP2	sing	0.97Å	0.95Å
CB2	CG3	sing	1.53Å	1.50Å
CB2	HB1	sing	1.09Å	1.10Å
CB2	HB21	sing	1.09Å	1.10Å
CG3	CD1	sing	1.53Å	1.54Å
CG3	HG1	sing	1.09Å	1.10Å
CG3	HG24	sing	1.09Å	1.10Å
CD1	CE	sing	1.53Å	1.50Å
CD1	HD1	sing	1.09Å	1.10Å
CD1	HD21	sing	1.09Å	1.10Å
CE	NZ	sing	1.47Å	1.44Å
CE	HE1	sing	1.09Å	1.10Å
CE	HE2	sing	1.09Å	1.10Å
NZ	HNZ1	sing	1.01Å	1.00Å
NZ	HNZ2	sing	1.01Å	1.00Å
O8	P	sing	1.61Å	1.72Å
O8	H35	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	121.7°	120.0°
O1	C1	C2	117.1°	120.0°
O2	C1	C2	119.8°	120.0°
C1	O2	HO2	109.5°	117.0°
C1	C2	C3	112.1°	109.5°
C1	C2	H21	108.6°	109.5°
C1	C2	H22	108.6°	109.5°
C3	C2	H21	108.6°	109.5°
C3	C2	H22	108.6°	109.4°
C2	C3	C4	110.7°	109.5°
C2	C3	H31	109.0°	109.5°
C2	C3	H32	109.1°	109.5°
H21	C2	H22	110.3°	109.5°
C4	C3	H31	109.1°	109.5°
C4	C3	H32	109.0°	109.5°
C3	C4	O4	119.7°	120.0°
C3	C4	N	115.0°	120.0°
H31	C3	H32	109.9°	109.5°
O4	C4	N	122.6°	120.0°
C4	N	CA	121.5°	120.0°
C4	N	H	119.3°	120.0°
CA	N	H	119.3°	120.0°
N	CA	C	109.5°	109.5°
N	CA	CB	111.5°	109.5°
N	CA	HA	108.6°	109.5°
C	CA	CB	111.0°	109.4°
C	CA	HA	109.1°	109.5°
CA	C	O	120.3°	120.0°
CA	C	N1	133.5°	120.0°
CB	CA	HA	107.0°	109.5°
CA	CB	CG1	111.3°	109.5°
CA	CB	CG2	110.5°	109.5°
CA	CB	HB	107.7°	109.5°
O	C	N1	94.0°	120.0°
C	N1	CA1	132.1°	125.6°
C	N1	CD	113.8°	125.7°
CG1	CB	CG2	110.0°	109.5°
CG1	CB	HB	108.2°	109.4°
CB	CG1	HG11	109.5°	109.4°
CB	CG1	HG12	109.5°	109.5°
CB	CG1	HG13	109.4°	109.5°
CG2	CB	HB	109.0°	109.5°
CB	CG2	HG21	109.5°	109.5°
CB	CG2	HG22	109.4°	109.5°
CB	CG2	HG23	109.5°	109.5°
HG11	CG1	HG12	109.5°	109.5°
HG11	CG1	HG13	109.5°	109.4°
HG12	CG1	HG13	109.5°	109.5°
HG21	CG2	HG22	109.5°	109.4°
HG21	CG2	HG23	109.5°	109.5°
HG22	CG2	HG23	109.5°	109.4°
CA1	N1	CD	110.5°	108.7°
N1	CA1	C5	112.8°	109.9°
N1	CA1	CB1	103.0°	107.3°
N1	CA1	HA1	112.8°	109.8°
N1	CD	CG	102.4°	104.7°
N1	CD	HD2	111.9°	110.4°
N1	CD	HD3	111.9°	110.4°
C5	CA1	CB1	112.8°	109.9°
C5	CA1	HA1	103.0°	109.9°
CA1	C5	O3	120.6°	120.0°
CA1	C5	N2	116.7°	120.0°
CB1	CA1	HA1	112.8°	110.0°
CA1	CB1	CG	104.2°	102.9°
CA1	CB1	HB2	111.3°	110.7°
CA1	CB1	HB3	111.3°	110.8°
O3	C5	N2	122.6°	120.0°
C5	N2	CA2	118.1°	120.0°
C5	N2	HN2	120.9°	119.9°
CG	CB1	HB2	111.3°	110.7°
CG	CB1	HB3	111.3°	110.7°
CB1	CG	CD	103.2°	101.5°
CB1	CG	HG2	111.6°	111.0°
CB1	CG	HG3	111.6°	111.0°
HB2	CB1	HB3	107.6°	110.8°
CD	CG	HG2	111.6°	111.2°
CD	CG	HG3	111.6°	110.9°
CG	CD	HD2	111.9°	110.4°
CG	CD	HD3	111.9°	110.3°
HG2	CG	HG3	107.3°	110.9°
HD2	CD	HD3	106.9°	110.4°
CA2	N2	HN2	120.9°	120.1°
N2	CA2	P	112.4°	109.5°
N2	CA2	CB2	111.8°	109.4°
N2	CA2	HA2	104.3°	109.5°
P	CA2	CB2	104.3°	109.5°
P	CA2	HA2	111.9°	109.5°
CA2	P	O1P	104.9°	109.5°
CA2	P	O2P	112.9°	109.5°
CA2	P	O8	107.0°	109.4°
CB2	CA2	HA2	112.4°	109.4°
CA2	CB2	CG3	109.6°	109.5°
CA2	CB2	HB1	109.4°	109.5°
CA2	CB2	HB21	109.4°	109.5°
O1P	P	O2P	96.7°	109.5°
O1P	P	O8	121.1°	109.5°
P	O2P	HOP2	109.5°	114.0°
O2P	P	O8	114.0°	109.5°
CG3	CB2	HB1	109.4°	109.5°
CG3	CB2	HB21	109.4°	109.4°
CB2	CG3	CD1	109.4°	109.5°
CB2	CG3	HG1	109.5°	109.4°
CB2	CG3	HG24	109.5°	109.5°
HB1	CB2	HB21	109.5°	109.4°
CD1	CG3	HG1	109.5°	109.4°
CD1	CG3	HG24	109.5°	109.5°
CG3	CD1	CE	105.9°	109.5°
CG3	CD1	HD1	110.7°	109.4°
CG3	CD1	HD21	110.7°	109.4°
HG1	CG3	HG24	109.5°	109.4°
CE	CD1	HD1	110.7°	109.5°
CE	CD1	HD21	110.7°	109.5°
CD1	CE	NZ	111.4°	109.4°
CD1	CE	HE1	108.8°	109.5°
CD1	CE	HE2	108.8°	109.5°
HD1	CD1	HD21	108.2°	109.5°
NZ	CE	HE1	108.8°	109.5°
NZ	CE	HE2	108.8°	109.5°
CE	NZ	HNZ1	109.5°	111.0°
CE	NZ	HNZ2	109.4°	111.0°
HE1	CE	HE2	110.1°	109.5°
HNZ1	NZ	HNZ2	109.5°	111.0°
P	O8	H35	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	166.3°	179.7°
O1	C1	O2	HO2	0.0°	0.0°
O1	C1	C2	C3	152.5°	0.0°
O1	C1	C2	H21	87.5°	120.0°
O1	C1	C2	H22	32.5°	120.0°
O2	C1	C2	C3	40.6°	179.7°
O2	C1	C2	H21	79.5°	60.3°
O2	C1	C2	H22	160.5°	59.7°
C2	C1	O2	HO2	166.3°	179.7°
C1	C2	C3	H21	120.0°	120.0°
C1	C2	C3	H22	120.0°	120.0°
C1	C2	H21	H22	118.9°	120.0°
C1	C2	C3	C4	176.4°	180.0°
C1	C2	C3	H31	56.5°	60.0°
C1	C2	C3	H32	63.6°	60.0°
C3	C2	H21	H22	118.9°	120.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	120.0°	120.0°
C2	C3	H31	H32	119.5°	120.0°
C2	C3	C4	O4	106.1°	0.0°
C2	C3	C4	N	55.8°	180.0°
H21	C2	C3	C4	63.5°	60.0°
H21	C2	C3	H31	176.5°	NaN°
H21	C2	C3	H32	56.4°	60.0°
H22	C2	C3	C4	56.5°	60.0°
H22	C2	C3	H31	63.5°	60.0°
H22	C2	C3	H32	176.4°	180.0°
C4	C3	H31	H32	119.5°	120.0°
C3	C4	O4	N	160.5°	180.0°
C3	C4	N	CA	168.9°	180.0°
C3	C4	N	H	11.1°	0.0°
H31	C3	C4	O4	133.9°	120.0°
H31	C3	C4	N	64.1°	60.0°
H32	C3	C4	O4	13.9°	120.0°
H32	C3	C4	N	175.8°	60.0°
O4	C4	N	CA	7.6°	0.0°
O4	C4	N	H	172.4°	179.9°
C4	N	CA	H	180.0°	180.0°
C4	N	CA	C	92.9°	155.0°
C4	N	CA	CB	143.8°	85.0°
C4	N	CA	HA	26.1°	35.0°
N	CA	C	CB	123.6°	120.0°
N	CA	C	HA	118.7°	120.0°
N	CA	CB	HA	118.6°	120.0°
N	CA	C	O	18.1°	38.1°
N	CA	C	N1	113.7°	141.9°
N	CA	CB	CG1	67.8°	59.5°
N	CA	CB	CG2	169.6°	179.5°
N	CA	CB	HB	50.6°	60.5°
H	N	CA	C	87.0°	25.0°
H	N	CA	CB	36.3°	94.9°
H	N	CA	HA	153.9°	145.0°
C	CA	CB	HA	119.0°	120.0°
CA	C	O	N1	147.2°	179.9°
C	CA	CB	CG1	54.6°	60.5°
C	CA	CB	CG2	67.9°	59.6°
C	CA	CB	HB	173.1°	179.6°
CA	C	N1	CA1	173.4°	175.6°
CA	C	N1	CD	17.4°	4.2°
CB	CA	C	O	105.5°	81.9°
CB	CA	C	N1	122.8°	98.1°
CA	CB	CG1	CG2	122.8°	120.0°
CA	CB	CG1	HB	118.2°	120.0°
CA	CB	CG2	HB	118.2°	120.0°
CA	CB	CG1	HG11	180.0°	60.0°
CA	CB	CG1	HG12	60.0°	180.0°
CA	CB	CG1	HG13	60.0°	59.9°
CA	CB	CG2	HG21	180.0°	66.2°
CA	CB	CG2	HG22	60.0°	173.8°
CA	CB	CG2	HG23	60.0°	53.9°
HA	CA	C	O	136.8°	158.1°
HA	CA	C	N1	5.0°	21.9°
HA	CA	CB	CG1	173.6°	179.5°
HA	CA	CB	CG2	51.0°	60.5°
HA	CA	CB	HB	68.0°	59.5°
O	C	N1	CA1	46.8°	4.4°
O	C	N1	CD	157.2°	175.9°
C	N1	CA1	CD	156.6°	179.8°
C	N1	CA1	C5	37.4°	59.5°
C	N1	CA1	CB1	159.3°	178.9°
C	N1	CA1	HA1	78.8°	61.5°
C	N1	CD	CG	139.7°	155.8°
C	N1	CD	HD2	100.3°	85.3°
C	N1	CD	HD3	19.7°	37.0°
CG1	CB	CG2	HB	118.5°	119.9°
CB	CG1	HG11	HG12	120.0°	120.0°
CB	CG1	HG11	HG13	120.0°	120.0°
CB	CG1	HG12	HG13	120.0°	120.1°
CG1	CB	CG2	HG21	56.7°	173.8°
CG1	CB	CG2	HG22	63.3°	53.8°
CG1	CB	CG2	HG23	176.7°	66.2°
CG2	CB	CG1	HG11	57.2°	60.0°
CG2	CB	CG1	HG12	177.2°	59.9°
CG2	CB	CG1	HG13	62.8°	180.0°
CB	CG2	HG21	HG22	120.0°	120.0°
CB	CG2	HG21	HG23	120.0°	120.1°
CB	CG2	HG22	HG23	120.0°	120.0°
HB	CB	CG1	HG11	61.8°	180.0°
HB	CB	CG1	HG12	58.2°	60.0°
HB	CB	CG1	HG13	178.1°	60.1°
HB	CB	CG2	HG21	61.8°	53.8°
HB	CB	CG2	HG22	178.2°	66.2°
HB	CB	CG2	HG23	58.2°	173.9°
HG11	CG1	HG12	HG13	120.0°	120.0°
HG21	CG2	HG22	HG23	120.0°	120.0°
N1	CA1	C5	CB1	116.2°	117.8°
N1	CA1	C5	HA1	121.9°	121.0°
N1	CA1	CB1	HA1	121.9°	119.4°
N1	CA1	C5	O3	35.7°	0.0°
N1	CA1	C5	N2	140.5°	180.0°
N1	CA1	CB1	CG	26.8°	22.2°
N1	CA1	CB1	HB2	146.8°	140.6°
N1	CA1	CB1	HB3	93.2°	96.1°
CA1	N1	CD	CG	21.5°	24.4°
CA1	N1	CD	HD2	98.5°	94.5°
CA1	N1	CD	HD3	141.5°	143.2°
CD	N1	CA1	C5	119.2°	120.7°
CD	N1	CA1	CB1	2.7°	1.2°
CD	N1	CA1	HA1	124.6°	118.3°
N1	CD	CG	CB1	38.0°	37.3°
N1	CD	CG	HD2	120.0°	118.8°
N1	CD	CG	HD3	120.0°	118.8°
N1	CD	CG	HG2	82.0°	80.8°
N1	CD	CG	HG3	158.0°	155.2°
N1	CD	HD2	HD3	122.9°	122.4°
C5	CA1	CB1	HA1	116.2°	121.1°
CA1	C5	O3	N2	176.0°	180.0°
C5	CA1	CB1	CG	95.1°	97.3°
C5	CA1	CB1	HB2	24.9°	21.1°
C5	CA1	CB1	HB3	144.9°	144.4°
CA1	C5	N2	CA2	179.2°	180.0°
CA1	C5	N2	HN2	0.8°	0.0°
CB1	CA1	C5	O3	80.5°	117.8°
CB1	CA1	C5	N2	103.3°	62.2°
CA1	CB1	CG	HB2	120.0°	118.3°
CA1	CB1	CG	HB3	120.0°	118.4°
CA1	CB1	HB2	HB3	122.2°	123.3°
CA1	CB1	CG	CD	40.4°	35.7°
CA1	CB1	CG	HG2	79.6°	82.6°
CA1	CB1	CG	HG3	160.4°	153.6°
HA1	CA1	C5	O3	157.6°	121.0°
HA1	CA1	C5	N2	18.6°	59.0°
HA1	CA1	CB1	CG	148.7°	141.6°
HA1	CA1	CB1	HB2	91.3°	100.0°
HA1	CA1	CB1	HB3	28.7°	23.3°
O3	C5	N2	CA2	4.7°	0.0°
O3	C5	N2	HN2	175.3°	180.0°
C5	N2	CA2	HN2	180.0°	179.9°
C5	N2	CA2	P	106.9°	105.0°
C5	N2	CA2	CB2	136.2°	135.0°
C5	N2	CA2	HA2	14.5°	15.1°
CG	CB1	HB2	HB3	122.1°	123.2°
CB1	CG	CD	HG2	120.0°	118.1°
CB1	CG	CD	HG3	120.0°	117.9°
CB1	CG	HG2	HG3	122.5°	123.8°
CB1	CG	CD	HD2	82.0°	81.6°
CB1	CG	CD	HD3	158.0°	156.1°
HB2	CB1	CG	CD	160.4°	154.0°
HB2	CB1	CG	HG2	40.4°	35.8°
HB2	CB1	CG	HG3	79.6°	88.1°
HB3	CB1	CG	CD	79.6°	82.7°
HB3	CB1	CG	HG2	160.4°	159.0°
HB3	CB1	CG	HG3	40.4°	35.2°
CD	CG	HG2	HG3	122.5°	124.0°
CG	CD	HD2	HD3	122.9°	122.3°
HG2	CG	CD	HD2	158.0°	160.3°
HG2	CG	CD	HD3	38.0°	38.0°
HG3	CG	CD	HD2	38.0°	36.4°
HG3	CG	CD	HD3	82.0°	86.0°
N2	CA2	P	CB2	121.3°	120.0°
N2	CA2	P	HA2	116.9°	120.0°
N2	CA2	CB2	HA2	116.9°	120.0°
N2	CA2	P	O1P	67.6°	65.0°
N2	CA2	P	O2P	171.6°	55.0°
N2	CA2	CB2	CG3	68.9°	180.0°
N2	CA2	CB2	HB1	51.1°	60.0°
N2	CA2	CB2	HB21	171.1°	60.0°
N2	CA2	P	O8	62.1°	175.0°
HN2	N2	CA2	P	73.1°	74.9°
HN2	N2	CA2	CB2	43.8°	45.1°
HN2	N2	CA2	HA2	165.5°	165.0°
P	CA2	CB2	HA2	121.4°	120.0°
CA2	P	O1P	O2P	115.8°	120.0°
CA2	P	O1P	O8	120.9°	120.0°
CA2	P	O2P	O8	122.4°	120.0°
CA2	P	O2P	HOP2	109.2°	180.0°
P	CA2	CB2	CG3	169.4°	60.0°
P	CA2	CB2	HB1	70.6°	180.0°
P	CA2	CB2	HB21	49.4°	60.0°
CA2	P	O8	H35	119.8°	60.0°
CB2	CA2	P	O1P	171.1°	55.0°
CB2	CA2	P	O2P	67.0°	175.0°
CA2	CB2	CG3	HB1	120.0°	120.1°
CA2	CB2	CG3	HB21	120.0°	120.0°
CA2	CB2	HB1	HB21	119.9°	120.0°
CA2	CB2	CG3	CD1	176.1°	180.0°
CA2	CB2	CG3	HG1	64.0°	60.0°
CA2	CB2	CG3	HG24	56.0°	60.0°
CB2	CA2	P	O8	59.2°	65.0°
HA2	CA2	P	O1P	49.3°	175.0°
HA2	CA2	P	O2P	54.7°	65.0°
HA2	CA2	CB2	CG3	48.0°	60.0°
HA2	CA2	CB2	HB1	168.1°	60.0°
HA2	CA2	CB2	HB21	72.0°	180.0°
HA2	CA2	P	O8	179.0°	55.0°
O1P	P	O2P	O8	128.4°	120.0°
O1P	P	O2P	HOP2	0.0°	60.0°
O1P	P	O8	H35	0.0°	180.0°
O2P	P	O8	H35	114.7°	60.0°
HOP2	O2P	P	O8	128.4°	60.0°
CG3	CB2	HB1	HB21	120.0°	119.9°
CB2	CG3	CD1	HG1	120.0°	120.0°
CB2	CG3	CD1	HG24	120.0°	120.0°
CB2	CG3	HG1	HG24	120.0°	120.0°
CB2	CG3	CD1	CE	176.2°	180.0°
CB2	CG3	CD1	HD1	56.2°	60.0°
CB2	CG3	CD1	HD21	63.8°	60.0°
HB1	CB2	CG3	CD1	56.1°	59.9°
HB1	CB2	CG3	HG1	176.0°	179.9°
HB1	CB2	CG3	HG24	63.9°	60.1°
HB21	CB2	CG3	CD1	63.9°	60.0°
HB21	CB2	CG3	HG1	56.0°	60.0°
HB21	CB2	CG3	HG24	176.0°	180.0°
CD1	CG3	HG1	HG24	120.0°	120.0°
CG3	CD1	CE	HD1	120.0°	120.0°
CG3	CD1	CE	HD21	120.0°	120.0°
CG3	CD1	HD1	HD21	121.5°	120.0°
CG3	CD1	CE	NZ	175.0°	180.0°
CG3	CD1	CE	HE1	65.0°	60.0°
CG3	CD1	CE	HE2	55.0°	60.0°
HG1	CG3	CD1	CE	63.8°	60.0°
HG1	CG3	CD1	HD1	176.2°	180.0°
HG1	CG3	CD1	HD21	56.2°	60.0°
HG24	CG3	CD1	CE	56.2°	60.0°
HG24	CG3	CD1	HD1	63.8°	60.0°
HG24	CG3	CD1	HD21	176.2°	180.0°
CE	CD1	HD1	HD21	121.4°	120.1°
CD1	CE	NZ	HE1	120.0°	120.0°
CD1	CE	NZ	HE2	120.0°	119.9°
CD1	CE	HE1	HE2	119.2°	120.0°
CD1	CE	NZ	HNZ1	180.0°	180.0°
CD1	CE	NZ	HNZ2	60.0°	56.1°
HD1	CD1	CE	NZ	55.0°	60.0°
HD1	CD1	CE	HE1	175.0°	180.0°
HD1	CD1	CE	HE2	65.0°	60.0°
HD21	CD1	CE	NZ	65.0°	60.0°
HD21	CD1	CE	HE1	55.0°	60.0°
HD21	CD1	CE	HE2	175.0°	180.0°
NZ	CE	HE1	HE2	119.2°	120.0°
CE	NZ	HNZ1	HNZ2	120.0°	124.0°
HE1	CE	NZ	HNZ1	60.0°	60.0°
HE1	CE	NZ	HNZ2	180.0°	176.1°
HE2	CE	NZ	HNZ1	60.0°	60.1°
HE2	CE	NZ	HNZ2	60.0°	63.9°

Definition date:	2009-01-16
Last modified:	2011-07-13
Release status:	REL
Processing site:	RCSB
Sub-components:	SIN VAL PRO KPH
Derived from:	1AU8