2UU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O35	C29	sing	1.35Å	1.35Å
C29	O32	doub	1.22Å	1.22Å
C29	C23	sing	1.47Å	1.47Å
C10	C23	doub	1.40Å	1.38Å	Aromatic
C10	C8	sing	1.36Å	1.37Å	Aromatic
C23	C25	sing	1.41Å	1.38Å	Aromatic
C8	C21	doub	1.40Å	1.37Å	Aromatic
C25	N31	sing	1.39Å	1.43Å
C25	C18	doub	1.39Å	1.38Å	Aromatic
C21	C18	sing	1.39Å	1.37Å	Aromatic
C21	C22	sing	1.48Å	1.43Å
N31	S37	sing	1.66Å	1.72Å
C22	C9	doub	1.38Å	1.38Å	Aromatic
C22	C19	sing	1.42Å	1.39Å	Aromatic
C9	C11	sing	1.39Å	1.37Å	Aromatic
C17	C15	doub	1.38Å	1.37Å	Aromatic
C17	C28	sing	1.38Å	1.37Å	Aromatic
C15	C27	sing	1.39Å	1.38Å	Aromatic
C6	C19	doub	1.40Å	1.38Å	Aromatic
C6	C2	sing	1.36Å	1.37Å	Aromatic
O34	S37	doub	1.42Å	1.45Å
C19	C20	sing	1.42Å	1.39Å	Aromatic
S37	C28	sing	1.76Å	1.76Å
S37	O33	doub	1.42Å	1.45Å
C28	C16	doub	1.38Å	1.37Å	Aromatic
C11	C24	doub	1.36Å	1.38Å	Aromatic
C27	O36	sing	1.36Å	1.39Å
C27	C14	doub	1.39Å	1.38Å	Aromatic
O36	C26	sing	1.36Å	1.38Å
C2	C3	doub	1.39Å	1.37Å	Aromatic
C20	C24	sing	1.41Å	1.39Å	Aromatic
C20	C7	doub	1.41Å	1.38Å	Aromatic
C16	C14	sing	1.38Å	1.38Å	Aromatic
C24	C30	sing	1.51Å	1.50Å
C13	C26	doub	1.39Å	1.37Å	Aromatic
C13	C5	sing	1.38Å	1.38Å	Aromatic
C3	C7	sing	1.36Å	1.37Å	Aromatic
C26	C12	sing	1.39Å	1.38Å	Aromatic
C5	C1	doub	1.38Å	1.38Å	Aromatic
C12	C4	doub	1.38Å	1.38Å	Aromatic
C1	C4	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C30	H19	sing	1.09Å	1.10Å
C30	H20	sing	1.09Å	1.10Å
C30	H21	sing	1.09Å	1.10Å
N31	H31	sing	0.97Å	1.00Å
O35	H35	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O35	C29	O32	126.6°	120.0°
O35	C29	C23	108.1°	120.0°
C29	O35	H35	109.5°	117.0°
O32	C29	C23	125.3°	120.0°
C29	C23	C10	119.7°	120.1°
C29	C23	C25	121.3°	120.1°
C23	C10	C8	120.9°	120.2°
C10	C23	C25	119.1°	119.8°
C23	C10	H10	119.6°	119.9°
C10	C8	C21	119.9°	120.3°
C10	C8	H8	120.1°	119.8°
C8	C10	H10	119.6°	119.9°
C23	C25	N31	121.6°	120.1°
C23	C25	C18	119.7°	119.7°
C8	C21	C18	119.8°	120.2°
C8	C21	C22	120.6°	119.9°
C21	C8	H8	120.1°	119.8°
N31	C25	C18	118.7°	120.2°
C25	N31	S37	117.9°	120.0°
C25	N31	H31	107.3°	120.0°
C25	C18	C21	120.7°	119.8°
C25	C18	H18	119.7°	120.1°
C18	C21	C22	119.6°	119.9°
C21	C18	H18	119.7°	120.2°
C21	C22	C9	116.3°	120.4°
C21	C22	C19	123.7°	120.3°
N31	S37	O34	106.5°	106.4°
N31	S37	C28	107.6°	107.3°
N31	S37	O33	106.9°	106.4°
S37	N31	H31	107.3°	120.0°
C9	C22	C19	120.0°	119.3°
C22	C9	C11	120.7°	120.7°
C22	C9	H9	119.7°	119.7°
C22	C19	C6	120.7°	121.3°
C22	C19	C20	119.4°	119.3°
C9	C11	C24	120.1°	121.1°
C11	C9	H9	119.7°	119.6°
C9	C11	H11	119.9°	119.4°
C15	C17	C28	117.9°	120.1°
C17	C15	C27	121.2°	119.9°
C17	C15	H15	119.4°	120.1°
C15	C17	H17	121.1°	120.0°
C17	C28	S37	118.6°	119.9°
C17	C28	C16	121.9°	120.1°
C28	C17	H17	121.0°	120.0°
C15	C27	O36	115.0°	120.0°
C15	C27	C14	120.4°	119.8°
C27	C15	H15	119.4°	120.0°
C19	C6	C2	120.6°	119.7°
C6	C19	C20	119.9°	119.5°
C19	C6	H6	119.7°	120.2°
C6	C2	C3	119.8°	120.9°
C6	C2	H2	120.1°	119.5°
C2	C6	H6	119.7°	120.1°
O34	S37	C28	107.9°	106.4°
O34	S37	O33	120.3°	123.1°
C19	C20	C24	120.0°	119.5°
C19	C20	C7	118.7°	119.3°
C28	S37	O33	107.1°	106.4°
S37	C28	C16	119.4°	120.0°
C28	C16	C14	119.8°	120.1°
C28	C16	H16	120.1°	120.0°
C11	C24	C20	119.9°	120.1°
C11	C24	C30	117.0°	119.9°
C24	C11	H11	119.9°	119.4°
O36	C27	C14	124.6°	120.1°
C27	O36	C26	119.4°	118.0°
C27	C14	C16	118.8°	120.0°
C27	C14	H14	120.6°	120.0°
O36	C26	C13	117.8°	120.0°
O36	C26	C12	121.8°	120.0°
C2	C3	C7	120.1°	121.0°
C3	C2	H2	120.1°	119.6°
C2	C3	H3	119.9°	119.5°
C24	C20	C7	121.3°	121.2°
C20	C24	C30	123.1°	120.0°
C20	C7	C3	120.8°	119.7°
C20	C7	H7	119.6°	120.2°
C16	C14	H14	120.6°	120.1°
C14	C16	H16	120.1°	119.9°
C24	C30	H19	109.5°	109.5°
C24	C30	H20	109.5°	109.5°
C24	C30	H21	109.4°	109.5°
C26	C13	C5	119.4°	119.9°
C13	C26	C12	120.5°	119.9°
C26	C13	H13	120.3°	120.1°
C13	C5	C1	120.8°	120.1°
C13	C5	H5	119.6°	120.0°
C5	C13	H13	120.3°	120.0°
C7	C3	H3	119.9°	119.5°
C3	C7	H7	119.6°	120.2°
C26	C12	C4	119.8°	119.9°
C26	C12	H12	120.1°	120.1°
C5	C1	C4	119.2°	120.1°
C5	C1	H1	120.4°	120.0°
C1	C5	H5	119.6°	119.9°
C12	C4	C1	120.4°	120.1°
C12	C4	H4	119.8°	119.9°
C4	C12	H12	120.1°	120.0°
C4	C1	H1	120.4°	120.0°
C1	C4	H4	119.8°	120.0°
H19	C30	H20	109.5°	109.4°
H19	C30	H21	109.5°	109.5°
H20	C30	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O35	C29	O32	C23	178.9°	180.0°
O35	C29	C23	C10	18.2°	0.0°
O35	C29	C23	C25	161.7°	179.9°
O32	C29	C23	C10	160.8°	180.0°
O32	C29	C23	C25	19.3°	0.0°
O32	C29	O35	H35	0.0°	0.0°
C29	C23	C10	C25	179.9°	180.0°
C29	C23	C10	C8	179.3°	180.0°
C29	C23	C25	N31	1.0°	0.1°
C29	C23	C25	C18	180.0°	179.7°
C29	C23	C10	H10	0.7°	0.1°
C23	C29	O35	H35	179.0°	180.0°
C23	C10	C8	H10	180.0°	179.9°
C23	C10	C8	C21	0.6°	0.0°
C10	C23	C25	N31	179.1°	180.0°
C10	C23	C25	C18	0.1°	0.3°
C23	C10	C8	H8	179.5°	179.7°
C8	C10	C23	C25	0.8°	0.0°
C10	C8	C21	H8	180.0°	179.7°
C10	C8	C21	C18	0.5°	0.3°
C10	C8	C21	C22	179.7°	179.7°
C23	C25	N31	C18	179.1°	179.8°
C23	C25	C18	C21	1.0°	0.5°
C23	C25	N31	S37	120.9°	144.0°
C25	C23	C10	H10	179.2°	179.9°
C23	C25	C18	H18	179.0°	179.9°
C23	C25	N31	H31	117.9°	36.0°
C8	C21	C18	C25	1.2°	0.5°
C8	C21	C18	C22	179.2°	180.0°
C8	C21	C22	C9	109.3°	130.0°
C8	C21	C22	C19	71.6°	50.0°
C21	C8	C10	H10	179.4°	179.9°
C8	C21	C18	H18	178.8°	179.9°
N31	C25	C18	C21	178.2°	179.7°
C25	N31	S37	H31	121.2°	180.0°
C25	N31	S37	O34	146.3°	174.2°
C25	N31	S37	C28	30.9°	60.6°
C25	N31	S37	O33	83.9°	52.9°
N31	C25	C18	H18	1.8°	0.3°
C25	C18	C21	H18	180.0°	179.4°
C25	C18	C21	C22	179.5°	179.5°
C18	C25	N31	S37	58.2°	35.8°
C18	C25	N31	H31	63.0°	144.2°
C18	C21	C22	C9	70.0°	50.0°
C18	C21	C22	C19	109.1°	130.0°
C18	C21	C8	H8	179.5°	180.0°
C21	C22	C9	C19	179.1°	179.9°
C21	C22	C9	C11	178.3°	180.0°
C21	C22	C19	C6	2.2°	0.0°
C21	C22	C19	C20	177.9°	179.4°
C22	C21	C8	H8	0.3°	0.0°
C21	C22	C9	H9	1.7°	0.6°
C22	C21	C18	H18	0.5°	0.1°
N31	S37	C28	C17	85.5°	90.0°
N31	S37	O34	C28	115.3°	114.1°
N31	S37	O34	O33	121.6°	123.0°
N31	S37	C28	O33	114.7°	113.6°
N31	S37	C28	C16	94.4°	89.7°
C22	C9	C11	H9	180.0°	179.4°
C9	C22	C19	C6	178.8°	180.0°
C9	C22	C19	C20	1.2°	0.5°
C22	C9	C11	C24	0.6°	0.7°
C22	C9	C11	H11	179.5°	179.4°
C19	C22	C9	C11	0.8°	0.1°
C22	C19	C6	C20	180.0°	179.5°
C22	C19	C6	C2	179.7°	179.9°
C22	C19	C20	C24	0.2°	0.5°
C22	C19	C20	C7	179.7°	179.7°
C22	C19	C6	H6	0.3°	0.1°
C19	C22	C9	H9	179.2°	179.4°
C9	C11	C24	H11	180.0°	179.9°
C9	C11	C24	C20	1.6°	0.6°
C9	C11	C24	C30	178.6°	180.0°
C15	C17	C28	H17	180.0°	179.7°
C17	C15	C27	H15	180.0°	180.0°
C15	C17	C28	S37	179.6°	179.9°
C15	C17	C28	C16	0.3°	0.3°
C17	C15	C27	O36	179.5°	179.9°
C17	C15	C27	C14	0.3°	0.0°
C28	C17	C15	C27	0.2°	0.2°
C17	C28	S37	O34	29.0°	23.6°
C17	C28	S37	C16	179.9°	179.7°
C17	C28	S37	O33	159.8°	156.5°
C17	C28	C16	C14	0.7°	0.0°
C28	C17	C15	H15	179.8°	179.7°
C17	C28	C16	H16	179.3°	180.0°
C15	C27	O36	C14	179.7°	180.0°
C15	C27	O36	C26	150.0°	5.2°
C15	C27	C14	C16	0.1°	0.3°
C15	C27	C14	H14	179.9°	180.0°
C27	C15	C17	H17	179.8°	179.9°
C19	C6	C2	H6	180.0°	179.9°
C19	C6	C2	C3	0.7°	0.1°
C6	C19	C20	C24	179.8°	180.0°
C6	C19	C20	C7	0.2°	0.8°
C19	C6	C2	H2	179.3°	179.7°
C2	C6	C19	C20	0.3°	0.6°
C6	C2	C3	H2	180.0°	179.8°
C6	C2	C3	C7	0.5°	0.2°
C6	C2	C3	H3	179.5°	179.8°
O34	S37	C28	O33	130.8°	132.9°
O34	S37	C28	C16	151.1°	156.7°
O34	S37	N31	H31	92.5°	5.8°
C19	C20	C24	C11	1.2°	0.0°
C19	C20	C24	C7	179.6°	179.2°
C19	C20	C24	C30	179.0°	179.4°
C19	C20	C7	C3	0.4°	0.6°
C20	C19	C6	H6	179.7°	179.5°
C19	C20	C7	H7	179.6°	179.5°
S37	C28	C16	C14	179.2°	179.7°
S37	C28	C16	H16	0.8°	0.3°
S37	C28	C17	H17	0.4°	0.4°
C28	S37	N31	H31	152.1°	119.4°
O33	S37	C28	C16	20.3°	23.8°
O33	S37	N31	H31	37.3°	127.1°
C28	C16	C14	C27	0.6°	0.3°
C28	C16	C14	H16	180.0°	180.0°
C28	C16	C14	H14	179.4°	180.0°
C16	C28	C17	H17	179.7°	180.0°
C11	C24	C20	C30	179.8°	179.3°
C11	C24	C20	C7	178.3°	179.1°
C24	C11	C9	H9	179.4°	180.0°
C11	C24	C30	H19	90.1°	90.1°
C11	C24	C30	H20	149.9°	150.0°
C11	C24	C30	H21	29.9°	30.0°
O36	C27	C14	C16	179.8°	179.7°
C27	O36	C26	C13	133.3°	76.1°
C27	O36	C26	C12	47.8°	104.7°
O36	C27	C14	H14	0.1°	0.0°
O36	C27	C15	H15	0.6°	0.0°
C14	C27	O36	C26	30.3°	174.8°
C27	C14	C16	H14	180.0°	179.7°
C14	C27	C15	H15	179.7°	180.0°
C27	C14	C16	H16	179.4°	179.7°
O36	C26	C13	C12	179.0°	179.2°
O36	C26	C13	C5	179.0°	180.0°
O36	C26	C12	C4	179.6°	179.7°
O36	C26	C12	H12	0.5°	0.3°
O36	C26	C13	H13	1.0°	0.8°
C2	C3	C7	C20	0.0°	0.1°
C2	C3	C7	H3	180.0°	180.0°
C3	C2	C6	H6	179.3°	180.0°
C2	C3	C7	H7	179.9°	180.0°
C24	C20	C7	C3	180.0°	179.7°
C24	C20	C7	H7	0.0°	0.3°
C20	C24	C11	H11	178.4°	179.5°
C20	C24	C30	H19	90.1°	90.6°
C20	C24	C30	H20	29.9°	29.4°
C20	C24	C30	H21	149.9°	149.4°
C7	C20	C24	C30	1.5°	0.2°
C20	C7	C3	H7	180.0°	179.9°
C20	C7	C3	H3	179.9°	180.0°
C30	C24	C11	H11	1.4°	0.1°
C24	C30	H19	H20	120.0°	120.0°
C24	C30	H19	H21	120.0°	120.0°
C24	C30	H20	H21	119.9°	120.0°
C26	C13	C5	H13	180.0°	179.2°
C26	C13	C5	C1	0.1°	0.6°
C13	C26	C12	C4	0.6°	0.5°
C26	C13	C5	H5	179.9°	179.5°
C13	C26	C12	H12	179.4°	179.5°
C5	C13	C26	C12	0.1°	0.8°
C13	C5	C1	H5	180.0°	180.0°
C13	C5	C1	C4	0.2°	0.0°
C13	C5	C1	H1	179.8°	179.7°
C7	C3	C2	H2	179.5°	180.0°
C26	C12	C4	H12	180.0°	180.0°
C26	C12	C4	C1	1.0°	0.1°
C26	C12	C4	H4	179.0°	180.0°
C12	C26	C13	H13	179.9°	180.0°
C5	C1	C4	C12	0.8°	0.3°
C5	C1	C4	H1	180.0°	179.7°
C5	C1	C4	H4	179.2°	179.7°
C1	C5	C13	H13	179.9°	179.7°
C12	C4	C1	H4	180.0°	180.0°
C12	C4	C1	H1	179.2°	180.0°
C4	C1	C5	H5	179.8°	180.0°
C1	C4	C12	H12	179.0°	179.9°
H1	C1	C4	H4	0.8°	0.0°
H1	C1	C5	H5	0.2°	0.3°
H2	C2	C3	H3	0.5°	0.0°
H2	C2	C6	H6	0.7°	0.2°
H3	C3	C7	H7	0.1°	0.0°
H4	C4	C12	H12	1.0°	0.0°
H5	C5	C13	H13	0.2°	0.3°
H8	C8	C10	H10	0.6°	0.3°
H9	C9	C11	H11	0.6°	0.1°
H14	C14	C16	H16	0.6°	0.1°
H15	C15	C17	H17	0.2°	0.0°
H19	C30	H20	H21	120.0°	120.0°

Release date:	2014-03-12
Definition date:	2014-02-13
Last modified:	2014-03-07
Release status:	REL
Processing site:	RCSB
Derived from:	4OQ5