Obsolete: ITS

ITS was replaced with 4IP on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.52Å
C1	C6	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.12Å
O1	P1	sing	1.61Å	1.63Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.11Å
O2	HO	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.12Å
O3	P3	sing	1.61Å	1.62Å
C4	O4	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.11Å
O4	P4	sing	1.61Å	1.63Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.53Å
C5	H5	sing	1.09Å	1.12Å
O5	P5	sing	1.61Å	1.63Å
C6	O6	sing	1.43Å	1.42Å
C6	H6	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.95Å
P1	OP1	doub	1.48Å	1.52Å
P1	OP2	sing	1.61Å	1.52Å
P1	OP3	sing	1.61Å	1.51Å
OP2	HO2	sing	0.97Å	0.95Å
OP3	HO3	sing	0.97Å	0.95Å
P3	O10	doub	1.48Å	1.52Å
P3	O11	sing	1.61Å	1.52Å
P3	O12	sing	1.61Å	1.53Å
O11	HOB	sing	0.97Å	0.95Å
O12	HOC	sing	0.97Å	0.95Å
P4	OP4	sing	1.61Å	1.52Å
P4	OP5	sing	1.61Å	1.51Å
P4	OP6	doub	1.48Å	1.52Å
OP4	HO4	sing	0.97Å	0.95Å
OP5	HO5	sing	0.97Å	0.95Å
P5	OP7	sing	1.61Å	1.52Å
P5	OP8	sing	1.61Å	1.52Å
P5	OP9	doub	1.48Å	1.52Å
OP7	HO7	sing	0.97Å	0.95Å
OP8	HO8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	109.9°	109.5°
O1	C1	C6	109.6°	109.5°
O1	C1	H1	109.7°	109.4°
C1	O1	P1	121.1°	106.8°
C2	C1	C6	111.3°	109.5°
C2	C1	H1	108.0°	109.5°
C1	C2	O2	110.0°	109.5°
C1	C2	C3	109.6°	109.5°
C1	C2	H2	109.0°	109.5°
C6	C1	H1	108.2°	109.5°
C1	C6	C5	114.0°	109.5°
C1	C6	O6	109.1°	109.4°
C1	C6	H6	106.6°	109.5°
O1	P1	OP1	104.6°	109.5°
O1	P1	OP2	105.7°	109.5°
O1	P1	OP3	106.2°	109.4°
O2	C2	C3	109.5°	109.4°
O2	C2	H2	109.2°	109.5°
C2	O2	HO	109.9°	106.8°
C3	C2	H2	109.5°	109.5°
C2	C3	O3	109.8°	109.5°
C2	C3	C4	111.7°	109.5°
C2	C3	H3	108.0°	109.5°
O3	C3	C4	110.2°	109.5°
O3	C3	H3	109.6°	109.4°
C3	O3	P3	120.4°	106.9°
C4	C3	H3	107.5°	109.4°
C3	C4	O4	110.0°	109.4°
C3	C4	C5	113.3°	109.5°
C3	C4	H4	106.4°	109.5°
O3	P3	O10	105.6°	109.5°
O3	P3	O11	106.7°	109.5°
O3	P3	O12	104.9°	109.5°
O4	C4	C5	109.3°	109.4°
O4	C4	H4	110.6°	109.4°
C4	O4	P4	121.6°	106.8°
C5	C4	H4	107.2°	109.5°
C4	C5	O5	109.3°	109.5°
C4	C5	C6	114.5°	109.5°
C4	C5	H5	106.3°	109.4°
O4	P4	OP4	107.3°	109.5°
O4	P4	OP5	104.9°	109.5°
O4	P4	OP6	106.3°	109.4°
O5	C5	C6	109.9°	109.5°
O5	C5	H5	111.2°	109.4°
C5	O5	P5	121.4°	106.8°
C6	C5	H5	105.5°	109.5°
C5	C6	O6	109.4°	109.5°
C5	C6	H6	106.3°	109.5°
O5	P5	OP7	104.1°	109.5°
O5	P5	OP8	105.7°	109.5°
O5	P5	OP9	105.2°	109.5°
O6	C6	H6	111.5°	109.5°
C6	O6	HO6	109.1°	106.8°
OP1	P1	OP2	114.0°	109.5°
OP1	P1	OP3	112.7°	109.5°
OP2	P1	OP3	112.7°	109.5°
P1	OP2	HO2	105.7°	106.8°
P1	OP3	HO3	106.2°	106.8°
O10	P3	O11	114.2°	109.4°
O10	P3	O12	112.1°	109.4°
O11	P3	O12	112.4°	109.5°
P3	O11	HOB	106.7°	106.8°
P3	O12	HOC	105.0°	106.7°
OP4	P4	OP5	112.6°	109.5°
OP4	P4	OP6	112.6°	109.5°
P4	OP4	HO4	107.3°	106.8°
OP5	P4	OP6	112.4°	109.5°
P4	OP5	HO5	104.9°	106.8°
OP7	P5	OP8	113.3°	109.5°
OP7	P5	OP9	113.8°	109.4°
P5	OP7	HO7	104.1°	106.8°
OP8	P5	OP9	113.5°	109.4°
P5	OP8	HO8	105.8°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C6	121.7°	120.0°
O1	C1	C2	H1	119.7°	120.0°
O1	C1	C6	H1	119.7°	120.0°
O1	C1	C2	O2	60.8°	60.0°
O1	C1	C2	C3	178.9°	180.0°
O1	C1	C2	H2	59.0°	60.0°
O1	C1	C6	C5	172.2°	180.0°
O1	C1	C6	O6	65.3°	60.0°
O1	C1	C6	H6	55.3°	60.0°
C1	O1	P1	OP1	161.2°	60.0°
C1	O1	P1	OP2	40.6°	180.0°
C1	O1	P1	OP3	79.4°	60.0°
C2	C1	C6	H1	118.5°	120.0°
C2	C1	O1	P1	93.5°	120.0°
C1	C2	O2	C3	120.4°	120.0°
C1	C2	O2	H2	119.6°	120.0°
C1	C2	C3	H2	119.6°	120.1°
C1	C2	O2	HO	180.0°	60.1°
C1	C2	C3	O3	177.0°	180.0°
C1	C2	C3	C4	60.5°	59.9°
C1	C2	C3	H3	57.6°	60.0°
C2	C1	C6	C5	50.3°	60.0°
C2	C1	C6	O6	172.9°	180.0°
C2	C1	C6	H6	66.6°	60.0°
C6	C1	O1	P1	143.8°	120.1°
C6	C1	C2	O2	60.9°	60.0°
C6	C1	C2	C3	59.5°	60.0°
C6	C1	C2	H2	179.4°	180.0°
C1	C6	C5	C4	41.6°	60.0°
C1	C6	C5	O5	165.1°	179.9°
C1	C6	C5	O6	122.4°	119.9°
C1	C6	C5	H6	117.1°	120.0°
C1	C6	C5	H5	74.9°	60.0°
C1	C6	O6	H6	117.4°	120.0°
C1	C6	O6	HO6	180.0°	60.1°
H1	C1	O1	P1	25.1°	0.0°
H1	C1	C2	O2	179.6°	180.0°
H1	C1	C2	C3	59.2°	60.0°
H1	C1	C2	H2	60.7°	60.0°
H1	C1	C6	C5	68.2°	60.0°
H1	C1	C6	O6	54.4°	60.0°
H1	C1	C6	H6	174.9°	180.0°
O1	P1	OP1	OP2	115.0°	120.0°
O1	P1	OP1	OP3	114.9°	120.0°
O1	P1	OP2	OP3	115.6°	120.0°
O1	P1	OP2	HO2	180.0°	179.9°
O1	P1	OP3	HO3	180.0°	60.0°
O2	C2	C3	H2	119.7°	120.0°
O2	C2	C3	O3	62.4°	60.1°
O2	C2	C3	C4	60.2°	60.0°
O2	C2	C3	H3	178.2°	180.0°
C3	C2	O2	HO	59.5°	179.9°
C2	C3	O3	C4	123.5°	120.1°
C2	C3	O3	H3	118.4°	120.0°
C2	C3	C4	H3	118.3°	120.0°
C2	C3	O3	P3	119.9°	119.9°
C2	C3	C4	O4	174.5°	60.0°
C2	C3	C4	C5	51.8°	59.9°
C2	C3	C4	H4	65.7°	180.0°
H2	C2	O2	HO	60.4°	60.0°
H2	C2	C3	O3	57.4°	59.9°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	H3	62.0°	60.1°
O3	C3	C4	H3	119.4°	119.9°
O3	C3	C4	O4	63.2°	60.1°
O3	C3	C4	C5	174.2°	180.0°
O3	C3	C4	H4	56.7°	59.9°
C3	O3	P3	O10	179.7°	60.0°
C3	O3	P3	O11	58.4°	180.0°
C3	O3	P3	O12	61.1°	60.0°
C4	C3	O3	P3	116.6°	120.0°
C3	C4	O4	C5	125.0°	120.0°
C3	C4	O4	H4	117.3°	120.0°
C3	C4	C5	H4	117.0°	120.1°
C3	C4	O4	P4	104.8°	120.0°
C3	C4	C5	O5	165.8°	180.0°
C3	C4	C5	C6	42.0°	59.9°
C3	C4	C5	H5	74.1°	60.1°
H3	C3	O3	P3	1.5°	0.1°
H3	C3	C4	O4	56.2°	179.9°
H3	C3	C4	C5	66.5°	60.1°
H3	C3	C4	H4	176.0°	60.0°
O3	P3	O10	O11	116.9°	120.0°
O3	P3	O10	O12	113.7°	120.0°
O3	P3	O11	O12	114.5°	120.1°
O3	P3	O11	HOB	180.0°	180.0°
O3	P3	O12	HOC	180.0°	60.0°
O4	C4	C5	H4	119.9°	119.9°
O4	C4	C5	O5	71.1°	60.0°
O4	C4	C5	C6	165.1°	60.0°
O4	C4	C5	H5	49.0°	179.9°
C4	O4	P4	OP4	5.0°	180.0°
C4	O4	P4	OP5	115.0°	60.0°
C4	O4	P4	OP6	125.7°	60.0°
C5	C4	O4	P4	130.2°	120.0°
C4	C5	O5	C6	126.5°	120.1°
C4	C5	O5	H5	117.0°	119.9°
C4	C5	C6	H5	116.5°	120.0°
C4	C5	O5	P5	144.5°	119.9°
C4	C5	C6	O6	164.0°	179.9°
C4	C5	C6	H6	75.5°	60.0°
H4	C4	O4	P4	12.4°	0.0°
H4	C4	C5	O5	48.8°	59.9°
H4	C4	C5	C6	75.0°	180.0°
H4	C4	C5	H5	168.9°	60.0°
O4	P4	OP4	OP5	114.9°	120.0°
O4	P4	OP4	OP6	116.6°	120.0°
O4	P4	OP5	OP6	115.1°	120.0°
O4	P4	OP4	HO4	180.0°	180.0°
O4	P4	OP5	HO5	179.9°	60.0°
O5	C5	C6	H5	120.0°	120.0°
O5	C5	C6	O6	72.5°	60.0°
O5	C5	C6	H6	48.0°	60.0°
C5	O5	P5	OP7	161.6°	180.0°
C5	O5	P5	OP8	41.9°	60.0°
C5	O5	P5	OP9	78.5°	60.0°
C6	C5	O5	P5	89.0°	120.0°
C5	C6	O6	H6	117.2°	120.0°
C5	C6	O6	HO6	54.6°	180.0°
H5	C5	O5	P5	27.5°	0.0°
H5	C5	C6	O6	47.5°	59.9°
H5	C5	C6	H6	168.0°	180.0°
O5	P5	OP7	OP8	114.4°	120.0°
O5	P5	OP7	OP9	114.0°	120.0°
O5	P5	OP8	OP9	114.8°	120.0°
O5	P5	OP7	HO7	179.9°	180.0°
O5	P5	OP8	HO8	180.0°	60.0°
H6	C6	O6	HO6	62.6°	59.9°
OP1	P1	OP2	OP3	130.1°	120.0°
OP1	P1	OP2	HO2	65.7°	60.0°
OP1	P1	OP3	HO3	66.0°	180.0°
OP2	P1	OP3	HO3	64.7°	60.0°
OP3	P1	OP2	HO2	64.4°	60.0°
O10	P3	O11	O12	129.2°	119.9°
O10	P3	O11	HOB	63.7°	60.0°
O10	P3	O12	HOC	65.8°	180.0°
O11	P3	O12	HOC	64.4°	60.1°
O12	P3	O11	HOB	65.5°	59.9°
OP4	P4	OP5	OP6	128.5°	120.0°
OP4	P4	OP5	HO5	63.7°	60.0°
OP5	P4	OP4	HO4	65.1°	60.0°
OP6	P4	OP4	HO4	63.3°	60.0°
OP6	P4	OP5	HO5	64.8°	180.0°
OP7	P5	OP8	OP9	131.8°	119.9°
OP7	P5	OP8	HO8	66.6°	60.1°
OP8	P5	OP7	HO7	65.6°	60.0°
OP9	P5	OP7	HO7	66.1°	59.9°
OP9	P5	OP8	HO8	65.2°	180.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	4IP
Derived from:	1FAO