RP4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C2	doub	1.21Å	1.24Å
C2	O1	sing	1.34Å	1.31Å
C2	C4	sing	1.51Å	1.52Å
O1	H1	sing	0.97Å	0.95Å
C4	O5	sing	1.43Å	1.45Å
C4	C12	sing	1.53Å	1.53Å
C4	C6	sing	1.50Å	1.52Å
O5	H5	sing	0.97Å	0.95Å
C12	C10	sing	1.53Å	1.52Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C10	O11	sing	1.43Å	1.42Å
C10	C8	sing	1.53Å	1.52Å
C10	H10	sing	1.09Å	1.10Å
O11	H11	sing	0.97Å	0.95Å
C8	O9	sing	1.43Å	1.42Å
C8	C7	sing	1.50Å	1.50Å
C8	H8	sing	1.09Å	1.10Å
O9	H9	sing	0.97Å	0.95Å
C7	C6	doub	1.31Å	1.36Å
C7	C13	sing	1.48Å	1.51Å
C6	H6	sing	1.08Å	1.08Å
C13	C25	doub	1.40Å	1.41Å	Aromatic
C13	C14	sing	1.39Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.41Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C24	C23	doub	1.38Å	1.40Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C23	C15	sing	1.39Å	1.41Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C15	C14	doub	1.39Å	1.41Å	Aromatic
C15	S16	sing	1.76Å	1.68Å
C14	H14	sing	1.08Å	1.08Å
S16	C17	sing	1.76Å	1.70Å
C17	C22	doub	1.39Å	1.39Å	Aromatic
C17	C18	sing	1.39Å	1.39Å	Aromatic
C22	C21	sing	1.38Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C21	C20	doub	1.38Å	1.39Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C20	C19	sing	1.38Å	1.38Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C19	C18	doub	1.38Å	1.38Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C2	O1	120.7°	120.0°
O3	C2	C4	127.1°	120.0°
O1	C2	C4	112.2°	120.0°
C2	O1	H1	109.5°	120.0°
C2	C4	O5	104.9°	109.4°
C2	C4	C12	114.3°	109.3°
C2	C4	C6	109.9°	109.2°
O5	C4	C12	106.0°	109.4°
O5	C4	C6	113.8°	109.4°
C4	O5	H5	109.5°	106.8°
C12	C4	C6	108.0°	110.2°
C4	C12	C10	111.2°	108.5°
C4	C12	H121	108.5°	109.6°
C4	C12	H122	108.9°	109.7°
C4	C6	C7	123.6°	123.9°
C4	C6	H6	118.2°	118.1°
C10	C12	H121	108.5°	109.6°
C10	C12	H122	108.9°	109.6°
C12	C10	O11	108.2°	109.6°
C12	C10	C8	109.3°	108.7°
C12	C10	H10	110.6°	109.6°
H121	C12	H122	110.9°	109.8°
O11	C10	C8	110.1°	109.6°
O11	C10	H10	109.8°	109.6°
C10	O11	H11	109.5°	106.8°
C8	C10	H10	108.7°	109.6°
C10	C8	O9	107.0°	109.6°
C10	C8	C7	114.1°	110.1°
C10	C8	H8	107.1°	109.0°
O9	C8	C7	106.6°	109.4°
O9	C8	H8	114.6°	109.4°
C8	O9	H9	109.5°	106.8°
C7	C8	H8	107.6°	109.3°
C8	C7	C6	121.3°	123.9°
C8	C7	C13	116.8°	118.0°
C6	C7	C13	121.9°	118.1°
C7	C6	H6	118.2°	118.0°
C7	C13	C25	120.4°	120.2°
C7	C13	C14	121.3°	120.1°
C25	C13	C14	118.3°	119.8°
C13	C25	C24	121.8°	120.1°
C13	C25	H25	119.1°	120.0°
C13	C14	C15	119.6°	119.8°
C13	C14	H14	120.2°	120.1°
C24	C25	H25	119.1°	120.0°
C25	C24	C23	120.0°	120.2°
C25	C24	H24	120.0°	119.9°
C23	C24	H24	120.0°	119.9°
C24	C23	C15	117.8°	120.2°
C24	C23	H23	121.1°	119.9°
C15	C23	H23	121.1°	119.9°
C23	C15	C14	122.5°	120.0°
C23	C15	S16	119.4°	120.0°
C14	C15	S16	118.1°	120.0°
C15	C14	H14	120.2°	120.1°
C15	S16	C17	115.7°	100.0°
S16	C17	C22	119.4°	120.1°
S16	C17	C18	120.3°	120.1°
C22	C17	C18	120.3°	119.8°
C17	C22	C21	120.0°	119.9°
C17	C22	H22	120.0°	120.1°
C17	C18	C19	120.1°	120.0°
C17	C18	H18	120.0°	120.0°
C21	C22	H22	120.0°	120.0°
C22	C21	C20	118.7°	120.0°
C22	C21	H21	120.6°	120.0°
C20	C21	H21	120.6°	120.0°
C21	C20	C19	121.3°	120.2°
C21	C20	H20	119.3°	119.9°
C19	C20	H20	119.4°	119.9°
C20	C19	C18	119.5°	120.0°
C20	C19	H19	120.3°	120.0°
C18	C19	H19	120.3°	120.0°
C19	C18	H18	119.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C2	O1	C4	179.3°	180.0°
O3	C2	O1	H1	0.0°	0.0°
O3	C2	C4	O5	136.4°	144.7°
O3	C2	C4	C12	20.8°	25.0°
O3	C2	C4	C6	100.9°	95.6°
O1	C2	C4	O5	42.8°	35.3°
O1	C2	C4	C12	158.4°	155.0°
O1	C2	C4	C6	79.9°	84.4°
C4	C2	O1	H1	179.2°	180.0°
C2	C4	O5	C12	121.3°	119.7°
C2	C4	O5	C6	120.1°	119.6°
C2	C4	C12	C6	122.6°	120.0°
C2	C4	O5	H5	50.9°	60.3°
C2	C4	C12	C10	174.3°	169.7°
C2	C4	C12	H121	55.1°	50.1°
C2	C4	C12	H122	65.7°	70.6°
C2	C4	C6	C7	136.0°	137.2°
C2	C4	C6	H6	44.0°	42.7°
O5	C4	C12	C6	122.4°	120.3°
O5	C4	C12	C10	70.7°	70.6°
O5	C4	C12	H121	170.1°	169.8°
O5	C4	C12	H122	49.3°	49.1°
O5	C4	C6	C7	106.7°	103.1°
O5	C4	C6	H6	73.2°	77.0°
C12	C4	O5	H5	70.4°	179.9°
C4	C12	C10	H121	119.3°	119.7°
C4	C12	C10	H122	120.0°	119.7°
C4	C12	H121	H122	119.6°	120.6°
C4	C12	C10	O11	174.6°	172.4°
C4	C12	C10	C8	65.4°	67.8°
C4	C12	C10	H10	54.2°	52.0°
C12	C4	C6	C7	10.7°	17.2°
C12	C4	C6	H6	169.3°	162.8°
C6	C4	O5	H5	171.0°	59.3°
C6	C4	C12	C10	51.7°	49.7°
C6	C4	C12	H121	67.5°	70.0°
C6	C4	C12	H122	171.7°	169.4°
C4	C6	C7	C8	17.8°	0.1°
C4	C6	C7	H6	180.0°	180.0°
C4	C6	C7	C13	164.2°	179.5°
C10	C12	H121	H122	119.5°	120.5°
C12	C10	O11	C8	119.5°	119.3°
C12	C10	O11	H10	120.8°	120.4°
C12	C10	C8	H10	120.8°	119.8°
C12	C10	O11	H11	31.9°	179.6°
C12	C10	C8	O9	153.3°	169.7°
C12	C10	C8	C7	35.7°	49.3°
C12	C10	C8	H8	83.4°	70.6°
H121	C12	C10	O11	66.2°	68.0°
H121	C12	C10	C8	53.8°	51.9°
H121	C12	C10	H10	173.5°	171.7°
H122	C12	C10	O11	54.6°	52.7°
H122	C12	C10	C8	174.6°	172.5°
H122	C12	C10	H10	65.8°	67.7°
O11	C10	C8	H10	120.4°	120.4°
O11	C10	C8	O9	87.9°	70.5°
O11	C10	C8	C7	154.5°	169.2°
O11	C10	C8	H8	35.5°	49.3°
C8	C10	O11	H11	87.5°	60.4°
C10	C8	O9	C7	122.5°	120.8°
C10	C8	O9	H8	118.6°	119.5°
C10	C8	C7	H8	118.7°	119.7°
C10	C8	O9	H9	11.2°	179.2°
C10	C8	C7	C6	4.2°	16.7°
C10	C8	C7	C13	177.7°	163.0°
H10	C10	O11	H11	152.8°	60.0°
H10	C10	C8	O9	32.5°	49.9°
H10	C10	C8	C7	85.2°	70.5°
H10	C10	C8	H8	155.8°	169.6°
O9	C8	C7	H8	123.3°	119.8°
O9	C8	C7	C6	113.7°	137.2°
O9	C8	C7	C13	64.4°	42.5°
C7	C8	O9	H9	111.3°	60.0°
C8	C7	C6	C13	178.0°	179.7°
C8	C7	C6	H6	162.2°	179.8°
C8	C7	C13	C25	9.3°	64.7°
C8	C7	C13	C14	169.1°	115.0°
H8	C8	O9	H9	129.8°	59.7°
H8	C8	C7	C6	123.0°	103.0°
H8	C8	C7	C13	58.9°	77.3°
C6	C7	C13	C25	172.7°	115.0°
C6	C7	C13	C14	9.0°	65.3°
C13	C7	C6	H6	15.8°	0.5°
C7	C13	C25	C14	178.4°	179.7°
C7	C13	C25	C24	179.1°	180.0°
C7	C13	C25	H25	0.9°	0.1°
C7	C13	C14	C15	179.6°	179.8°
C7	C13	C14	H14	0.4°	0.3°
C13	C25	C24	H25	180.0°	179.9°
C13	C25	C24	C23	0.1°	0.0°
C13	C25	C24	H24	179.8°	179.9°
C25	C13	C14	C15	1.2°	0.6°
C25	C13	C14	H14	178.8°	179.9°
C14	C13	C25	C24	0.7°	0.3°
C14	C13	C25	H25	179.3°	179.8°
C13	C14	C15	C23	1.2°	0.5°
C13	C14	C15	H14	180.0°	179.5°
C13	C14	C15	S16	179.1°	179.7°
C25	C24	C23	H24	180.0°	179.9°
C25	C24	C23	C15	0.1°	0.0°
C25	C24	C23	H23	179.9°	180.0°
H25	C25	C24	C23	179.8°	179.9°
H25	C25	C24	H24	0.2°	0.0°
C24	C23	C15	H23	180.0°	180.0°
C24	C23	C15	C14	0.6°	0.2°
C24	C23	C15	S16	179.7°	180.0°
H24	C24	C23	C15	179.9°	179.9°
H24	C24	C23	H23	0.1°	0.1°
C23	C15	C14	S16	179.7°	179.7°
C23	C15	C14	H14	178.7°	180.0°
C23	C15	S16	C17	43.8°	174.2°
H23	C23	C15	C14	179.3°	179.8°
H23	C23	C15	S16	0.3°	0.0°
C14	C15	S16	C17	136.5°	5.5°
S16	C15	C14	H14	0.9°	0.3°
C15	S16	C17	C22	95.5°	94.8°
C15	S16	C17	C18	86.4°	85.5°
S16	C17	C22	C18	178.1°	179.8°
S16	C17	C22	C21	179.3°	180.0°
S16	C17	C22	H22	0.7°	0.0°
S16	C17	C18	C19	179.9°	179.8°
S16	C17	C18	H18	0.1°	0.2°
C17	C22	C21	H22	180.0°	180.0°
C17	C22	C21	C20	0.1°	0.0°
C17	C22	C21	H21	179.8°	180.0°
C22	C17	C18	C19	2.0°	0.5°
C22	C17	C18	H18	178.0°	180.0°
C18	C17	C22	C21	1.2°	0.2°
C18	C17	C22	H22	178.8°	179.8°
C17	C18	C19	C20	1.5°	0.5°
C17	C18	C19	H18	180.0°	179.5°
C17	C18	C19	H19	178.5°	179.7°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	C19	0.6°	0.0°
C22	C21	C20	H20	179.4°	180.0°
H22	C22	C21	C20	179.9°	180.0°
H22	C22	C21	H21	0.1°	0.0°
C21	C20	C19	H20	180.0°	180.0°
C21	C20	C19	C18	0.2°	0.3°
C21	C20	C19	H19	179.8°	179.9°
H21	C21	C20	C19	179.4°	180.0°
H21	C21	C20	H20	0.6°	0.0°
C20	C19	C18	H19	180.0°	179.8°
C20	C19	C18	H18	178.5°	180.0°
H20	C20	C19	C18	179.8°	179.7°
H20	C20	C19	H19	0.2°	0.1°
H19	C19	C18	H18	1.5°	0.1°

Definition date:	2006-03-31
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI