3UH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	N18	doub	1.22Å	1.22Å
N18	O19	sing	1.22Å	1.22Å
N18	C17	sing	1.48Å	1.37Å
C21	C17	doub	1.38Å	1.41Å	Aromatic
C21	C22	sing	1.38Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
C22	C23	doub	1.38Å	1.40Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C23	C15	sing	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.51Å	1.54Å
C14	N12	sing	1.47Å	1.46Å
O30	C11	doub	1.22Å	1.22Å
N12	C11	sing	1.35Å	1.36Å
C11	C10	sing	1.48Å	1.50Å
C36	C35	doub	1.38Å	1.40Å	Aromatic
C36	C38	sing	1.38Å	1.40Å	Aromatic
C35	C34	sing	1.39Å	1.40Å	Aromatic
C38	C39	doub	1.38Å	1.40Å	Aromatic
C31	C10	doub	1.39Å	1.39Å	Aromatic
C31	C33	sing	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.40Å	1.39Å	Aromatic
C34	C33	sing	1.48Å	1.48Å
C34	C40	doub	1.39Å	1.40Å	Aromatic
C39	C40	sing	1.38Å	1.40Å	Aromatic
C33	C45	doub	1.40Å	1.40Å	Aromatic
O4	C3	doub	1.21Å	1.33Å
C9	O1	sing	1.36Å	1.39Å
C9	C47	doub	1.39Å	1.39Å	Aromatic
O1	C2	sing	1.43Å	1.43Å
C45	C47	sing	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.51Å	1.50Å
C3	O6	sing	1.34Å	1.22Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O6	H3	sing	0.97Å	0.95Å
N12	H4	sing	0.97Å	1.00Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C23	H10	sing	1.08Å	1.08Å
C31	H11	sing	1.08Å	1.08Å
C35	H12	sing	1.08Å	1.08Å
C36	H13	sing	1.08Å	1.08Å
C38	H14	sing	1.08Å	1.08Å
C39	H15	sing	1.08Å	1.08Å
C40	H16	sing	1.08Å	1.08Å
C45	H17	sing	1.08Å	1.08Å
C47	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	N18	O19	122.6°	120.0°
O20	N18	C17	118.9°	120.0°
O19	N18	C17	118.5°	120.0°
N18	C17	C21	122.5°	120.0°
N18	C17	C16	119.5°	120.0°
C17	C21	C22	120.4°	120.0°
C21	C17	C16	118.0°	120.0°
C17	C21	H8	119.8°	120.0°
C21	C22	C23	120.4°	120.0°
C22	C21	H8	119.8°	119.9°
C21	C22	H9	119.8°	120.0°
C17	C16	C15	122.3°	120.0°
C17	C16	H7	118.9°	120.0°
C22	C23	C15	119.8°	120.0°
C23	C22	H9	119.8°	120.0°
C22	C23	H10	120.1°	120.0°
C16	C15	C23	119.1°	120.0°
C16	C15	C14	117.8°	120.0°
C15	C16	H7	118.9°	120.0°
C23	C15	C14	123.1°	120.0°
C15	C23	H10	120.1°	120.0°
C15	C14	N12	112.3°	109.5°
C15	C14	H5	108.8°	109.5°
C15	C14	H6	108.7°	109.5°
C14	N12	C11	120.5°	120.0°
C14	N12	H4	119.7°	120.0°
N12	C14	H5	108.7°	109.5°
N12	C14	H6	108.7°	109.4°
O30	C11	N12	123.8°	120.0°
O30	C11	C10	118.8°	120.0°
N12	C11	C10	117.1°	120.0°
C11	N12	H4	119.7°	120.0°
C11	C10	C31	120.4°	120.1°
C11	C10	C9	119.3°	120.1°
C35	C36	C38	120.2°	120.1°
C36	C35	C34	119.8°	119.8°
C36	C35	H12	120.1°	120.1°
C35	C36	H13	119.9°	120.0°
C36	C38	C39	120.1°	120.2°
C38	C36	H13	119.9°	119.9°
C36	C38	H14	120.0°	119.9°
C35	C34	C33	121.5°	120.1°
C35	C34	C40	119.6°	119.8°
C34	C35	H12	120.1°	120.1°
C38	C39	C40	119.6°	120.1°
C39	C38	H14	119.9°	119.9°
C38	C39	H15	120.2°	119.9°
C10	C31	C33	120.2°	119.8°
C31	C10	C9	120.3°	119.7°
C10	C31	H11	119.9°	120.1°
C31	C33	C34	119.6°	119.9°
C31	C33	C45	119.4°	120.0°
C33	C31	H11	119.9°	120.1°
C10	C9	O1	118.0°	120.0°
C10	C9	C47	120.4°	120.0°
C33	C34	C40	118.9°	120.1°
C34	C33	C45	121.0°	120.1°
C34	C40	C39	120.6°	119.9°
C34	C40	H16	119.7°	120.0°
C40	C39	H15	120.2°	120.0°
C39	C40	H16	119.7°	120.0°
C33	C45	C47	120.8°	120.3°
C33	C45	H17	119.6°	119.8°
O4	C3	C2	117.0°	120.0°
O4	C3	O6	124.0°	120.0°
O1	C9	C47	121.6°	120.0°
C9	O1	C2	117.3°	117.0°
C9	C47	C45	119.0°	120.2°
C9	C47	H18	120.5°	119.9°
O1	C2	C3	109.7°	109.4°
O1	C2	H1	109.4°	109.5°
O1	C2	H2	109.4°	109.5°
C47	C45	H17	119.6°	119.9°
C45	C47	H18	120.5°	119.8°
C2	C3	O6	119.0°	120.0°
C3	C2	H1	109.4°	109.4°
C3	C2	H2	109.4°	109.5°
C3	O6	H3	109.5°	117.1°
H1	C2	H2	109.5°	109.5°
H5	C14	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	N18	O19	C17	179.7°	179.9°
O20	N18	C17	C21	10.0°	0.1°
O20	N18	C17	C16	170.1°	180.0°
O19	N18	C17	C21	170.3°	180.0°
O19	N18	C17	C16	9.6°	0.0°
N18	C17	C21	C16	179.9°	180.0°
N18	C17	C21	C22	179.8°	180.0°
N18	C17	C16	C15	179.9°	180.0°
N18	C17	C16	H7	0.1°	0.0°
N18	C17	C21	H8	0.2°	0.1°
C17	C21	C22	H8	180.0°	179.9°
C17	C21	C22	C23	0.0°	0.3°
C21	C17	C16	C15	0.2°	0.1°
C21	C17	C16	H7	179.8°	180.0°
C17	C21	C22	H9	180.0°	180.0°
C22	C21	C17	C16	0.1°	0.0°
C21	C22	C23	H9	180.0°	179.7°
C21	C22	C23	C15	0.3°	0.5°
C21	C22	C23	H10	179.7°	180.0°
C17	C16	C15	H7	180.0°	179.9°
C17	C16	C15	C23	0.6°	0.3°
C17	C16	C15	C14	179.7°	180.0°
C16	C17	C21	H8	179.9°	180.0°
C22	C23	C15	C16	0.6°	0.6°
C22	C23	C15	H10	180.0°	179.5°
C22	C23	C15	C14	179.7°	179.7°
C23	C22	C21	H8	180.0°	179.8°
C16	C15	C23	C14	179.7°	179.7°
C16	C15	C14	N12	173.8°	90.1°
C16	C15	C14	H5	65.8°	30.0°
C16	C15	C14	H6	53.3°	150.0°
C16	C15	C23	H10	179.4°	180.0°
C23	C15	C14	N12	6.5°	90.2°
C23	C15	C14	H5	113.9°	149.7°
C23	C15	C14	H6	126.9°	29.7°
C23	C15	C16	H7	179.4°	179.8°
C15	C23	C22	H9	179.7°	179.7°
C15	C14	N12	H5	120.4°	120.1°
C15	C14	N12	H6	120.4°	120.0°
C15	C14	N12	C11	109.5°	180.0°
C15	C14	N12	H4	70.5°	0.1°
C15	C14	H5	H6	118.7°	120.0°
C14	C15	C16	H7	0.3°	0.0°
C14	C15	C23	H10	0.3°	0.3°
C14	N12	C11	O30	5.3°	0.0°
C14	N12	C11	H4	180.0°	179.9°
C14	N12	C11	C10	179.5°	180.0°
N12	C14	H5	H6	118.7°	119.9°
O30	C11	N12	C10	174.2°	180.0°
O30	C11	C10	C31	38.0°	180.0°
O30	C11	C10	C9	144.5°	0.0°
O30	C11	N12	H4	174.8°	180.0°
N12	C11	C10	C31	136.5°	0.0°
N12	C11	C10	C9	41.0°	180.0°
C11	N12	C14	H5	10.9°	59.9°
C11	N12	C14	H6	130.0°	60.0°
C11	C10	C31	C9	177.4°	180.0°
C11	C10	C31	C33	178.0°	180.0°
C11	C10	C9	O1	4.3°	0.0°
C11	C10	C9	C47	177.4°	179.7°
C10	C11	N12	H4	0.6°	0.0°
C11	C10	C31	H11	2.0°	0.1°
C35	C36	C38	H13	180.0°	180.0°
C36	C35	C34	H12	180.0°	180.0°
C35	C36	C38	C39	0.4°	0.0°
C36	C35	C34	C33	178.8°	180.0°
C36	C35	C34	C40	0.5°	0.2°
C35	C36	C38	H14	179.6°	180.0°
C38	C36	C35	C34	0.5°	0.0°
C36	C38	C39	H14	180.0°	180.0°
C36	C38	C39	C40	0.4°	0.3°
C38	C36	C35	H12	179.5°	180.0°
C36	C38	C39	H15	179.6°	180.0°
C35	C34	C33	C31	33.3°	0.2°
C35	C34	C33	C40	179.3°	179.8°
C35	C34	C40	C39	0.5°	0.5°
C35	C34	C33	C45	148.5°	179.7°
C34	C35	C36	H13	179.6°	180.0°
C35	C34	C40	H16	179.5°	179.7°
C38	C39	C40	C34	0.5°	0.5°
C38	C39	C40	H15	180.0°	179.7°
C39	C38	C36	H13	179.6°	180.0°
C38	C39	C40	H16	179.5°	179.7°
C10	C31	C33	H11	180.0°	179.9°
C10	C31	C33	C34	179.1°	180.0°
C10	C31	C33	C45	0.8°	0.0°
C31	C10	C9	O1	178.3°	180.0°
C31	C10	C9	C47	0.0°	0.3°
C33	C31	C10	C9	0.6°	0.0°
C31	C33	C34	C45	178.2°	179.9°
C31	C33	C34	C40	146.0°	180.0°
C31	C33	C45	C47	0.5°	0.2°
C31	C33	C45	H17	179.5°	180.0°
C10	C9	O1	C47	178.3°	179.7°
C10	C9	O1	C2	158.4°	179.7°
C10	C9	C47	C45	0.4°	0.5°
C9	C10	C31	H11	179.4°	180.0°
C10	C9	C47	H18	179.6°	179.7°
C33	C34	C40	C39	178.8°	179.7°
C34	C33	C45	C47	178.7°	179.7°
C34	C33	C31	H11	1.0°	0.1°
C33	C34	C35	H12	1.2°	0.0°
C33	C34	C40	H16	1.1°	0.1°
C34	C33	C45	H17	1.3°	0.1°
C34	C40	C39	H16	180.0°	179.8°
C40	C34	C33	C45	32.2°	0.1°
C40	C34	C35	H12	179.5°	179.8°
C34	C40	C39	H15	179.5°	179.7°
C40	C39	C38	H14	179.6°	179.7°
C33	C45	C47	C9	0.1°	0.5°
C33	C45	C47	H17	180.0°	179.8°
C45	C33	C31	H11	179.2°	180.0°
C33	C45	C47	H18	179.9°	179.8°
O4	C3	C2	O1	17.7°	0.0°
O4	C3	C2	O6	179.0°	180.0°
O4	C3	C2	H1	137.7°	120.1°
O4	C3	C2	H2	102.4°	120.0°
O4	C3	O6	H3	0.0°	0.0°
O1	C9	C47	C45	177.9°	179.8°
C9	O1	C2	C3	77.2°	180.0°
C9	O1	C2	H1	42.9°	60.0°
C9	O1	C2	H2	162.8°	60.0°
O1	C9	C47	H18	2.1°	0.0°
C47	C9	O1	C2	23.3°	0.0°
C9	C47	C45	H18	180.0°	179.8°
C9	C47	C45	H17	179.9°	179.7°
O1	C2	C3	H1	120.0°	120.0°
O1	C2	C3	H2	120.1°	120.0°
O1	C2	C3	O6	163.3°	180.0°
O1	C2	H1	H2	119.9°	120.0°
C3	C2	H1	H2	119.9°	120.0°
C2	C3	O6	H3	178.9°	179.9°
O6	C3	C2	H1	43.3°	60.0°
O6	C3	C2	H2	76.6°	60.0°
H4	N12	C14	H5	169.1°	120.0°
H4	N12	C14	H6	49.9°	120.1°
H8	C21	C22	H9	0.0°	0.1°
H9	C22	C23	H10	0.3°	0.3°
H12	C35	C36	H13	0.5°	0.0°
H13	C36	C38	H14	0.4°	0.0°
H14	C38	C39	H15	0.4°	0.0°
H15	C39	C40	H16	0.5°	0.0°
H17	C45	C47	H18	0.1°	0.0°

Release date:	2015-11-18
Definition date:	2014-11-04
Last modified:	2015-11-13
Release status:	REL
Processing site:	RCSB
Derived from:	4RPQ