PSO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.34Å	1.26Å	Aromatic
O1	C9	sing	1.35Å	1.27Å	Aromatic
C2	C3	sing	1.41Å	1.52Å	Aromatic
C2	O11	doub	1.22Å	1.23Å
C3	C4	doub	1.36Å	1.49Å	Aromatic
C3	H3	sing	1.08Å	1.07Å
C4	C10	sing	1.47Å	1.40Å	Aromatic
C4	C12	sing	1.51Å	1.53Å
C5	C6	doub	1.39Å	1.41Å	Aromatic
C5	C10	sing	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.41Å	1.35Å	Aromatic
C6	C4'	sing	1.47Å	1.50Å	Aromatic
C7	C8	doub	1.39Å	1.40Å	Aromatic
C7	O6'	sing	1.35Å	1.26Å	Aromatic
C8	C9	sing	1.38Å	1.41Å	Aromatic
C8	C16	sing	1.51Å	1.51Å
C9	C10	doub	1.41Å	1.39Å	Aromatic
C4'	C5'	doub	1.34Å	1.52Å	Aromatic
C4'	C13	sing	1.51Å	1.53Å
C5'	O6'	sing	1.35Å	1.44Å	Aromatic
C5'	C15	sing	1.51Å	1.53Å
C12	H121	sing	1.09Å	1.09Å
C12	H122	sing	1.09Å	1.08Å
C12	H123	sing	1.09Å	1.08Å
C13	O14	sing	1.43Å	1.41Å
C13	H131	sing	1.09Å	1.02Å
C13	H132	sing	1.09Å	1.09Å
O14	H14	sing	0.97Å	0.96Å
C15	H151	sing	1.09Å	1.08Å
C15	H152	sing	1.09Å	1.09Å
C15	H153	sing	1.09Å	1.07Å
C16	H161	sing	1.09Å	1.08Å
C16	H162	sing	1.09Å	1.09Å
C16	H163	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	C9	119.0°	121.5°
O1	C2	C3	123.9°	121.8°
O1	C2	O11	117.6°	119.1°
O1	C9	C8	116.7°	120.3°
O1	C9	C10	125.7°	119.7°
C3	C2	O11	118.5°	119.1°
C2	C3	C4	115.2°	119.8°
C2	C3	H3	114.9°	120.1°
C4	C3	H3	110.1°	120.1°
C3	C4	C10	113.3°	118.2°
C3	C4	C12	113.0°	120.9°
C10	C4	C12	112.9°	120.9°
C4	C10	C5	117.8°	120.8°
C4	C10	C9	121.9°	119.0°
C4	C12	H121	110.4°	109.5°
C4	C12	H122	107.2°	109.5°
C4	C12	H123	113.0°	109.5°
C6	C5	C10	120.1°	119.3°
C6	C5	H5	126.5°	120.3°
C5	C6	C7	120.0°	120.5°
C5	C6	C4'	127.4°	134.1°
C10	C5	H5	113.4°	120.3°
C5	C10	C9	120.1°	120.2°
C7	C6	C4'	107.9°	105.5°
C6	C7	C8	119.5°	119.9°
C6	C7	O6'	115.1°	107.1°
C6	C4'	C5'	98.4°	106.2°
C6	C4'	C13	115.4°	126.9°
C8	C7	O6'	124.0°	133.0°
C7	C8	C9	120.7°	120.1°
C7	C8	C16	118.1°	119.9°
C7	O6'	C5'	108.0°	110.9°
C9	C8	C16	121.2°	120.0°
C8	C9	C10	117.5°	120.0°
C8	C16	H161	105.4°	109.5°
C8	C16	H162	113.0°	109.4°
C8	C16	H163	110.8°	109.5°
C5'	C4'	C13	117.6°	126.9°
C4'	C5'	O6'	107.7°	110.3°
C4'	C5'	C15	107.4°	124.9°
C4'	C13	O14	115.7°	109.4°
C4'	C13	H131	103.0°	109.5°
C4'	C13	H132	113.7°	109.5°
O6'	C5'	C15	116.8°	124.8°
C5'	C15	H151	107.3°	109.5°
C5'	C15	H152	110.8°	109.5°
C5'	C15	H153	113.4°	109.4°
H121	C12	H122	107.6°	109.5°
H121	C12	H123	109.3°	109.5°
H122	C12	H123	109.1°	109.4°
O14	C13	H131	104.9°	109.4°
O14	C13	H132	112.7°	109.5°
C13	O14	H14	108.8°	106.8°
H131	C13	H132	105.3°	109.5°
H151	C15	H152	108.1°	109.5°
H151	C15	H153	107.4°	109.5°
H152	C15	H153	109.6°	109.4°
H161	C16	H162	106.7°	109.4°
H161	C16	H163	107.9°	109.5°
H162	C16	H163	112.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	O11	179.9°	179.9°
O1	C2	C3	C4	10.0°	0.1°
O1	C2	C3	H3	119.5°	180.0°
C2	O1	C9	C8	175.0°	180.0°
C2	O1	C9	C10	1.6°	0.1°
C9	O1	C2	C3	7.7°	0.1°
C9	O1	C2	O11	172.3°	180.0°
O1	C9	C10	C4	8.5°	0.0°
O1	C9	C10	C5	176.2°	179.9°
O1	C9	C8	C7	166.4°	180.0°
O1	C9	C8	C10	176.9°	179.9°
O1	C9	C8	C16	14.2°	0.0°
C2	C3	C4	H3	131.8°	179.9°
C2	C3	C4	C10	3.0°	0.0°
C2	C3	C4	C12	133.1°	179.9°
O11	C2	C3	C4	170.0°	180.0°
O11	C2	C3	H3	60.4°	0.2°
C3	C4	C10	C12	130.1°	180.0°
C3	C4	C10	C5	179.6°	180.0°
C3	C4	C10	C9	5.0°	0.0°
C3	C4	C12	H121	28.5°	0.0°
C3	C4	C12	H122	88.5°	120.1°
C3	C4	C12	H123	151.2°	120.0°
H3	C3	C4	C10	128.8°	179.9°
H3	C3	C4	C12	1.2°	0.1°
C4	C10	C5	C6	178.0°	180.0°
C4	C10	C5	C9	175.5°	179.9°
C4	C10	C5	H5	2.7°	0.1°
C4	C10	C9	C8	168.1°	179.9°
C10	C4	C12	H121	158.7°	180.0°
C10	C4	C12	H122	41.7°	60.0°
C10	C4	C12	H123	78.6°	60.0°
C12	C4	C10	C5	50.3°	0.1°
C12	C4	C10	C9	125.1°	180.0°
C4	C12	H121	H122	116.7°	120.0°
C4	C12	H121	H123	124.9°	120.0°
C4	C12	H122	H123	122.7°	120.0°
C6	C5	C10	H5	179.4°	179.9°
C5	C6	C7	C4'	157.5°	179.6°
C5	C6	C7	C8	6.1°	0.1°
C5	C6	C7	O6'	173.5°	179.9°
C6	C5	C10	C9	2.5°	0.1°
C5	C6	C4'	C5'	171.8°	180.0°
C5	C6	C4'	C13	62.2°	0.1°
C10	C5	C6	C7	3.2°	0.1°
C10	C5	C6	C4'	155.9°	179.7°
C5	C10	C9	C8	7.2°	0.0°
H5	C5	C6	C7	177.6°	180.0°
H5	C5	C6	C4'	24.8°	0.5°
H5	C5	C10	C9	178.1°	180.0°
C6	C7	C8	O6'	166.2°	180.0°
C6	C7	C8	C9	16.3°	0.0°
C6	C7	C8	C16	163.1°	180.0°
C7	C6	C4'	C5'	16.4°	0.4°
C7	C6	C4'	C13	142.5°	179.6°
C6	C7	O6'	C5'	6.9°	0.0°
C4'	C6	C7	C8	151.4°	179.7°
C4'	C6	C7	O6'	16.0°	0.3°
C6	C4'	C5'	C13	124.5°	179.9°
C6	C4'	C5'	O6'	12.7°	0.5°
C6	C4'	C5'	C15	113.8°	179.8°
C6	C4'	C13	O14	38.1°	90.1°
C6	C4'	C13	H131	75.7°	150.0°
C6	C4'	C13	H132	170.9°	29.9°
C7	C8	C9	C16	179.4°	180.0°
C7	C8	C9	C10	16.7°	0.1°
C8	C7	O6'	C5'	159.8°	180.0°
C7	C8	C16	H161	67.7°	90.0°
C7	C8	C16	H162	176.1°	150.1°
C7	C8	C16	H163	48.7°	30.0°
O6'	C7	C8	C9	177.5°	180.0°
O6'	C7	C8	C16	3.1°	0.0°
C7	O6'	C5'	C4'	4.9°	0.3°
C7	O6'	C5'	C15	115.9°	180.0°
C9	C8	C16	H161	111.7°	90.0°
C9	C8	C16	H162	4.5°	29.9°
C9	C8	C16	H163	131.9°	150.0°
C16	C8	C9	C10	162.7°	179.9°
C8	C16	H161	H162	120.4°	119.9°
C8	C16	H161	H163	118.4°	120.0°
C8	C16	H162	H163	126.5°	120.0°
C4'	C5'	O6'	C15	120.8°	179.7°
C5'	C4'	C13	O14	77.4°	90.0°
C5'	C4'	C13	H131	168.8°	30.0°
C5'	C4'	C13	H132	55.4°	150.0°
C4'	C5'	C15	H151	52.7°	179.7°
C4'	C5'	C15	H152	65.1°	60.3°
C4'	C5'	C15	H153	171.1°	59.7°
C13	C4'	C5'	O6'	137.3°	179.6°
C13	C4'	C5'	C15	10.7°	0.1°
C4'	C13	O14	H131	112.7°	120.0°
C4'	C13	O14	H132	133.2°	120.0°
C4'	C13	H131	H132	119.4°	120.0°
C4'	C13	O14	H14	52.7°	179.9°
O6'	C5'	C15	H151	68.3°	0.0°
O6'	C5'	C15	H152	173.9°	120.1°
O6'	C5'	C15	H153	50.1°	120.0°
C5'	C15	H151	H152	119.6°	120.0°
C5'	C15	H151	H153	122.2°	120.0°
C5'	C15	H152	H153	125.9°	119.9°
H121	C12	H122	H123	118.5°	120.0°
O14	C13	H131	H132	119.1°	120.0°
H131	C13	O14	H14	60.0°	60.0°
H132	C13	O14	H14	174.1°	60.0°
H151	C15	H152	H153	116.8°	120.1°
H161	C16	H162	H163	118.2°	120.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	204D