38Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C32	O31	sing	1.43Å	1.45Å
O31	C26	sing	1.35Å	1.38Å
C26	N27	doub	1.32Å	1.33Å	Aromatic
C26	N25	sing	1.32Å	1.36Å	Aromatic
N27	C28	sing	1.33Å	1.33Å	Aromatic
N25	C24	doub	1.32Å	1.35Å	Aromatic
C30	O29	sing	1.43Å	1.45Å
C28	O29	sing	1.35Å	1.38Å
C28	C23	doub	1.41Å	1.40Å	Aromatic
C24	C23	sing	1.40Å	1.41Å	Aromatic
C23	C2	sing	1.48Å	1.51Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.39Å	1.40Å	Aromatic
C3	C4	sing	1.36Å	1.39Å	Aromatic
C1	C6	doub	1.40Å	1.40Å	Aromatic
C15	C16	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.40Å	1.38Å	Aromatic
O19	C18	doub	1.22Å	1.23Å
C16	C17	sing	1.38Å	1.41Å	Aromatic
C4	C5	doub	1.40Å	1.40Å	Aromatic
C18	C14	sing	1.48Å	1.49Å
C18	O20	sing	1.35Å	1.25Å
C14	C13	doub	1.39Å	1.38Å	Aromatic
C17	C12	doub	1.39Å	1.37Å	Aromatic
C6	C5	sing	1.42Å	1.40Å	Aromatic
C6	N7	sing	1.34Å	1.36Å	Aromatic
C5	C10	sing	1.42Å	1.41Å	Aromatic
C13	C12	sing	1.39Å	1.40Å	Aromatic
C12	N11	sing	1.40Å	1.36Å
N7	C8	doub	1.31Å	1.34Å	Aromatic
N11	C10	sing	1.38Å	1.38Å
C10	C9	doub	1.40Å	1.41Å	Aromatic
C8	C9	sing	1.40Å	1.39Å	Aromatic
C9	C21	sing	1.47Å	1.50Å
C21	O33	doub	1.22Å	1.21Å
C21	N22	sing	1.35Å	1.32Å
O20	H1	sing	0.97Å	0.95Å
C15	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
N11	H6	sing	0.97Å	1.00Å
N22	H7	sing	0.97Å	1.00Å
N22	H8	sing	0.97Å	1.00Å
C8	H9	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C1	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.08Å	1.08Å
C32	H14	sing	1.09Å	1.10Å
C32	H15	sing	1.09Å	1.10Å
C32	H16	sing	1.09Å	1.10Å
C30	H17	sing	1.09Å	1.10Å
C30	H18	sing	1.09Å	1.10Å
C30	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	O31	C26	120.7°	117.0°
O31	C32	H14	109.5°	109.5°
O31	C32	H15	109.4°	109.5°
O31	C32	H16	109.5°	109.5°
O31	C26	N27	113.5°	119.0°
O31	C26	N25	125.5°	119.1°
N27	C26	N25	121.0°	122.0°
C26	N27	C28	123.4°	120.8°
C26	N25	C24	118.3°	121.1°
N27	C28	O29	115.8°	120.6°
N27	C28	C23	118.4°	118.9°
N25	C24	C23	121.2°	119.1°
N25	C24	H13	119.4°	120.5°
C30	O29	C28	121.6°	117.0°
O29	C30	H17	109.5°	109.5°
O29	C30	H18	109.5°	109.5°
O29	C30	H19	109.5°	109.5°
O29	C28	C23	125.8°	120.5°
C28	C23	C24	117.6°	118.2°
C28	C23	C2	119.2°	120.9°
C24	C23	C2	123.0°	120.8°
C23	C24	H13	119.4°	120.5°
C23	C2	C3	123.0°	119.7°
C23	C2	C1	119.5°	119.7°
C3	C2	C1	117.2°	120.5°
C2	C3	C4	121.3°	120.7°
C2	C3	H11	119.4°	119.6°
C2	C1	C6	122.2°	119.6°
C2	C1	H12	118.9°	120.2°
C3	C4	C5	121.2°	119.9°
C3	C4	H10	119.4°	120.0°
C4	C3	H11	119.4°	119.7°
C1	C6	C5	119.8°	119.1°
C1	C6	N7	120.4°	120.6°
C6	C1	H12	118.9°	120.2°
C16	C15	C14	118.8°	120.0°
C15	C16	C17	122.3°	120.3°
C16	C15	H2	120.6°	120.0°
C15	C16	H3	118.9°	119.9°
C15	C14	C18	121.1°	120.1°
C15	C14	C13	118.7°	119.7°
C14	C15	H2	120.6°	120.0°
O19	C18	C14	116.8°	119.9°
O19	C18	O20	120.7°	120.0°
C16	C17	C12	118.4°	120.2°
C17	C16	H3	118.9°	119.9°
C16	C17	H4	120.8°	119.9°
C4	C5	C6	118.3°	120.1°
C4	C5	C10	121.7°	120.9°
C5	C4	H10	119.4°	120.1°
C14	C18	O20	122.4°	120.0°
C18	C14	C13	120.1°	120.2°
C18	O20	H1	109.5°	117.0°
C14	C13	C12	122.9°	119.8°
C14	C13	H5	118.6°	120.1°
C17	C12	C13	118.9°	120.0°
C17	C12	N11	127.9°	120.0°
C12	C17	H4	120.8°	119.9°
C5	C6	N7	119.8°	120.3°
C6	C5	C10	120.0°	119.0°
C6	N7	C8	121.5°	122.0°
C5	C10	N11	116.8°	121.1°
C5	C10	C9	118.1°	117.8°
C13	C12	N11	113.1°	120.0°
C12	C13	H5	118.5°	120.1°
C12	N11	C10	123.3°	120.0°
C12	N11	H6	118.4°	120.0°
N7	C8	C9	121.4°	121.6°
N7	C8	H9	119.3°	119.2°
N11	C10	C9	123.6°	121.1°
C10	N11	H6	118.3°	120.0°
C10	C9	C8	119.2°	119.3°
C10	C9	C21	121.9°	120.3°
C8	C9	C21	118.9°	120.4°
C9	C8	H9	119.3°	119.2°
C9	C21	O33	120.4°	120.0°
C9	C21	N22	120.7°	120.0°
O33	C21	N22	118.9°	120.0°
C21	N22	H7	120.0°	120.0°
C21	N22	H8	120.0°	120.0°
H7	N22	H8	120.0°	120.0°
H14	C32	H15	109.5°	109.4°
H14	C32	H16	109.5°	109.5°
H15	C32	H16	109.5°	109.5°
H17	C30	H18	109.5°	109.5°
H17	C30	H19	109.4°	109.5°
H18	C30	H19	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	O31	C26	N27	22.0°	180.0°
C32	O31	C26	N25	157.8°	0.3°
O31	C32	H14	H15	120.0°	120.0°
O31	C32	H14	H16	120.0°	120.0°
O31	C32	H15	H16	120.0°	120.0°
O31	C26	N27	N25	179.9°	179.7°
O31	C26	N27	C28	179.6°	180.0°
O31	C26	N25	C24	179.7°	179.7°
C26	O31	C32	H14	180.0°	180.0°
C26	O31	C32	H15	60.0°	60.0°
C26	O31	C32	H16	60.0°	60.0°
N27	C26	N25	C24	0.4°	0.1°
C26	N27	C28	O29	178.8°	180.0°
C26	N27	C28	C23	1.7°	0.6°
N25	C26	N27	C28	0.3°	0.3°
C26	N25	C24	C23	0.3°	0.1°
C26	N25	C24	H13	179.7°	180.0°
N27	C28	O29	C30	10.4°	0.0°
N27	C28	O29	C23	179.6°	179.4°
N27	C28	C23	C24	2.2°	0.5°
N27	C28	C23	C2	177.1°	179.7°
N25	C24	C23	C28	1.6°	0.3°
N25	C24	C23	H13	180.0°	179.9°
N25	C24	C23	C2	176.3°	180.0°
C30	O29	C28	C23	169.2°	179.4°
O29	C30	H17	H18	120.0°	120.0°
O29	C30	H17	H19	120.0°	120.0°
O29	C30	H18	H19	120.0°	120.0°
O29	C28	C23	C24	178.2°	180.0°
O29	C28	C23	C2	3.4°	0.3°
C28	O29	C30	H17	180.0°	180.0°
C28	O29	C30	H18	60.0°	60.0°
C28	O29	C30	H19	60.0°	60.0°
C28	C23	C24	C2	174.6°	179.7°
C28	C23	C2	C3	38.6°	50.3°
C28	C23	C2	C1	135.2°	129.8°
C28	C23	C24	H13	178.4°	179.8°
C24	C23	C2	C3	146.8°	130.0°
C24	C23	C2	C1	39.4°	50.0°
C23	C2	C3	C1	173.9°	180.0°
C23	C2	C3	C4	177.4°	179.9°
C23	C2	C1	C6	177.0°	179.9°
C23	C2	C3	H11	2.6°	0.0°
C23	C2	C1	H12	3.0°	0.0°
C2	C23	C24	H13	3.7°	0.0°
C2	C3	C4	H11	180.0°	180.0°
C3	C2	C1	C6	2.9°	0.1°
C2	C3	C4	C5	2.0°	0.0°
C2	C3	C4	H10	178.0°	179.9°
C3	C2	C1	H12	177.1°	180.0°
C1	C2	C3	C4	3.5°	0.1°
C2	C1	C6	H12	180.0°	179.9°
C2	C1	C6	C5	0.9°	0.0°
C2	C1	C6	N7	179.0°	179.9°
C1	C2	C3	H11	176.6°	179.9°
C3	C4	C5	H10	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	C10	178.9°	180.0°
C1	C6	C5	C4	0.7°	0.0°
C1	C6	C5	N7	179.8°	180.0°
C1	C6	C5	C10	179.5°	180.0°
C1	C6	N7	C8	179.2°	179.7°
C16	C15	C14	H2	180.0°	179.9°
C15	C16	C17	H3	180.0°	180.0°
C16	C15	C14	C18	178.6°	180.0°
C16	C15	C14	C13	1.4°	0.3°
C15	C16	C17	C12	1.0°	0.1°
C15	C16	C17	H4	179.0°	180.0°
C15	C14	C18	O19	11.0°	179.7°
C14	C15	C16	C17	0.3°	0.0°
C15	C14	C18	C13	177.2°	179.7°
C15	C14	C18	O20	171.9°	0.0°
C15	C14	C13	C12	1.3°	0.6°
C14	C15	C16	H3	179.7°	180.0°
C15	C14	C13	H5	178.7°	179.7°
O19	C18	C14	O20	177.1°	179.7°
O19	C18	C14	C13	166.3°	0.0°
O19	C18	O20	H1	0.0°	0.0°
C16	C17	C12	H4	180.0°	179.9°
C16	C17	C12	C13	1.1°	0.2°
C16	C17	C12	N11	177.3°	180.0°
C17	C16	C15	H2	179.7°	179.9°
C4	C5	C6	C10	178.8°	179.9°
C4	C5	C6	N7	179.5°	180.0°
C4	C5	C10	N11	12.2°	0.1°
C4	C5	C10	C9	179.0°	179.7°
C5	C4	C3	H11	178.0°	180.0°
C18	C14	C13	C12	178.6°	179.7°
C14	C18	O20	H1	177.0°	179.7°
C18	C14	C15	H2	1.4°	0.0°
C18	C14	C13	H5	1.4°	0.1°
O20	C18	C14	C13	10.9°	179.7°
C14	C13	C12	C17	0.0°	0.5°
C14	C13	C12	H5	180.0°	179.7°
C14	C13	C12	N11	176.7°	179.7°
C13	C14	C15	H2	178.6°	179.8°
C17	C12	C13	N11	176.8°	179.8°
C17	C12	N11	C10	9.5°	6.0°
C12	C17	C16	H3	179.1°	180.0°
C17	C12	C13	H5	180.0°	179.7°
C17	C12	N11	H6	170.5°	174.0°
C5	C6	N7	C8	0.6°	0.2°
C6	C5	C10	N11	169.1°	180.0°
C6	C5	C10	C9	2.2°	0.3°
C6	C5	C4	H10	179.9°	180.0°
C5	C6	C1	H12	179.2°	180.0°
N7	C6	C5	C10	0.7°	0.1°
C6	N7	C8	C9	0.3°	0.2°
C6	N7	C8	H9	179.7°	180.0°
N7	C6	C1	H12	1.0°	0.0°
C5	C10	N11	C12	67.8°	87.5°
C5	C10	N11	C9	166.0°	179.6°
C5	C10	C9	C8	2.5°	0.3°
C5	C10	C9	C21	178.6°	179.7°
C5	C10	N11	H6	112.2°	92.5°
C10	C5	C4	H10	1.1°	0.1°
C13	C12	N11	C10	166.9°	174.2°
C13	C12	C17	H4	179.0°	179.7°
C13	C12	N11	H6	13.1°	5.8°
C12	N11	C10	H6	180.0°	180.0°
C12	N11	C10	C9	98.2°	92.9°
N11	C12	C17	H4	2.7°	0.1°
N11	C12	C13	H5	3.3°	0.1°
N7	C8	C9	C10	1.3°	0.1°
N7	C8	C9	H9	180.0°	179.8°
N7	C8	C9	C21	179.8°	180.0°
N11	C10	C9	C8	168.4°	180.0°
N11	C10	C9	C21	12.8°	0.0°
C10	C9	C8	C21	178.9°	179.9°
C10	C9	C21	O33	26.0°	5.5°
C10	C9	C21	N22	152.5°	174.5°
C9	C10	N11	H6	81.8°	87.2°
C10	C9	C8	H9	178.7°	179.7°
C8	C9	C21	O33	152.9°	174.6°
C8	C9	C21	N22	28.6°	5.4°
C9	C21	O33	N22	178.5°	180.0°
C9	C21	N22	H7	178.5°	0.0°
C9	C21	N22	H8	1.5°	179.9°
C21	C9	C8	H9	0.2°	0.2°
O33	C21	N22	H7	0.0°	180.0°
O33	C21	N22	H8	180.0°	0.0°
C21	N22	H7	H8	180.0°	180.0°
H2	C15	C16	H3	0.3°	0.0°
H3	C16	C17	H4	0.9°	0.1°
H10	C4	C3	H11	2.0°	0.0°
H14	C32	H15	H16	120.0°	120.0°
H17	C30	H18	H19	120.0°	120.0°

Release date:	2014-12-03
Definition date:	2014-07-08
Last modified:	2014-11-28
Release status:	REL
Processing site:	RCSB
Derived from:	4QT0