Q64

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.51Å	1.50Å
O12	C10	doub	1.21Å	1.22Å
C10	C9	sing	1.46Å	1.47Å
C9	C13	doub	1.38Å	1.33Å
C9	C8	sing	1.47Å	1.47Å
C13	C14	sing	1.47Å	1.45Å
C8	O20	doub	1.22Å	1.22Å
C8	N7	sing	1.35Å	1.37Å
C19	C14	doub	1.40Å	1.37Å	Aromatic
C19	C18	sing	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.40Å	1.38Å	Aromatic
N7	C6	sing	1.40Å	1.41Å
C18	C17	doub	1.39Å	1.38Å	Aromatic
C6	C21	doub	1.39Å	1.36Å	Aromatic
C6	C5	sing	1.39Å	1.37Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C21	C22	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.38Å	1.37Å	Aromatic
C17	C16	sing	1.38Å	1.37Å	Aromatic
C22	C3	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.36Å	Aromatic
C3	S2	sing	1.76Å	1.77Å
N23	S2	sing	1.66Å	1.63Å
O24	S2	doub	1.42Å	1.45Å
S2	O1	doub	1.42Å	1.44Å
C17	H1	sing	1.08Å	1.08Å
C16	H2	sing	1.08Å	1.08Å
C18	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C19	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.08Å	1.08Å
C4	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
N23	H14	sing	0.97Å	1.00Å
N23	H15	sing	0.97Å	1.00Å
N7	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	O12	120.8°	120.0°
C11	C10	C9	120.5°	120.0°
C10	C11	H11	109.5°	109.5°
C10	C11	H12	109.5°	109.5°
C10	C11	H13	109.5°	109.4°
O12	C10	C9	118.7°	120.0°
C10	C9	C13	116.1°	120.0°
C10	C9	C8	117.7°	120.0°
C13	C9	C8	126.2°	120.0°
C9	C13	C14	130.1°	120.0°
C9	C13	H10	114.9°	120.0°
C9	C8	O20	118.2°	120.0°
C9	C8	N7	113.2°	120.0°
C13	C14	C19	115.5°	120.2°
C13	C14	C15	126.8°	120.2°
C14	C13	H10	115.0°	119.9°
O20	C8	N7	128.5°	120.0°
C8	N7	C6	122.1°	120.0°
C8	N7	H16	119.0°	120.0°
C14	C19	C18	122.9°	119.8°
C19	C14	C15	117.8°	119.6°
C14	C19	H5	118.6°	120.1°
C19	C18	C17	119.2°	120.2°
C19	C18	H3	120.4°	119.9°
C18	C19	H5	118.5°	120.1°
C14	C15	C16	119.5°	119.8°
C14	C15	H4	120.2°	120.1°
N7	C6	C21	124.4°	120.1°
N7	C6	C5	115.9°	120.1°
C6	N7	H16	118.9°	120.0°
C18	C17	C16	118.3°	120.4°
C18	C17	H1	120.9°	119.8°
C17	C18	H3	120.4°	119.9°
C21	C6	C5	119.6°	119.8°
C6	C21	C22	120.5°	119.9°
C6	C21	H7	119.8°	120.0°
C6	C5	C4	120.6°	119.9°
C6	C5	H6	119.7°	120.0°
C15	C16	C17	122.4°	120.2°
C15	C16	H2	118.8°	119.9°
C16	C15	H4	120.3°	120.1°
C21	C22	C3	119.2°	120.0°
C22	C21	H7	119.7°	120.0°
C21	C22	H9	120.4°	119.9°
C5	C4	C3	119.7°	120.1°
C4	C5	H6	119.7°	120.0°
C5	C4	H8	120.2°	119.9°
C16	C17	H1	120.9°	119.8°
C17	C16	H2	118.8°	119.8°
C22	C3	C4	120.4°	120.2°
C22	C3	S2	121.0°	119.9°
C3	C22	H9	120.4°	120.0°
C4	C3	S2	118.6°	119.9°
C3	C4	H8	120.2°	120.0°
C3	S2	N23	106.6°	107.2°
C3	S2	O24	105.5°	106.4°
C3	S2	O1	108.1°	106.4°
N23	S2	O24	108.7°	106.4°
N23	S2	O1	107.8°	106.4°
S2	N23	H14	109.5°	119.9°
S2	N23	H15	109.5°	120.0°
O24	S2	O1	119.5°	123.2°
H11	C11	H12	109.5°	109.5°
H11	C11	H13	109.5°	109.4°
H12	C11	H13	109.5°	109.4°
H14	N23	H15	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	O12	C9	179.5°	180.0°
C11	C10	C9	C13	41.0°	175.3°
C11	C10	C9	C8	136.9°	4.6°
C10	C11	H11	H12	120.0°	120.1°
C10	C11	H11	H13	120.0°	120.0°
C10	C11	H12	H13	120.0°	120.0°
O12	C10	C9	C13	139.5°	4.7°
O12	C10	C9	C8	42.6°	175.4°
O12	C10	C11	H11	0.0°	86.7°
O12	C10	C11	H12	120.0°	33.4°
O12	C10	C11	H13	120.0°	153.3°
C10	C9	C13	C8	177.6°	179.9°
C10	C9	C13	C14	177.2°	173.8°
C10	C9	C8	O20	76.5°	70.2°
C10	C9	C8	N7	102.9°	109.8°
C10	C9	C13	H10	2.8°	6.2°
C9	C10	C11	H11	179.5°	93.3°
C9	C10	C11	H12	59.5°	146.6°
C9	C10	C11	H13	60.5°	26.6°
C9	C13	C14	H10	180.0°	180.0°
C13	C9	C8	O20	101.1°	109.8°
C13	C9	C8	N7	79.6°	70.2°
C9	C13	C14	C19	169.9°	148.4°
C9	C13	C14	C15	8.4°	32.3°
C8	C9	C13	C14	5.2°	6.2°
C9	C8	O20	N7	179.3°	180.0°
C9	C8	N7	C6	165.8°	172.9°
C8	C9	C13	H10	174.8°	173.9°
C9	C8	N7	H16	14.2°	7.2°
C13	C14	C19	C15	178.4°	179.3°
C13	C14	C19	C18	179.4°	179.9°
C13	C14	C15	C16	179.1°	179.8°
C13	C14	C15	H4	0.9°	0.2°
C13	C14	C19	H5	0.6°	0.7°
O20	C8	N7	C6	13.5°	7.1°
O20	C8	N7	H16	166.5°	172.8°
C8	N7	C6	H16	180.0°	179.9°
C8	N7	C6	C21	7.2°	145.9°
C8	N7	C6	C5	172.6°	34.2°
C14	C19	C18	H5	180.0°	179.2°
C14	C19	C18	C17	0.3°	0.6°
C19	C14	C15	C16	0.9°	0.5°
C14	C19	C18	H3	179.7°	179.5°
C19	C14	C15	H4	179.1°	179.5°
C19	C14	C13	H10	10.1°	31.7°
C18	C19	C14	C15	1.0°	0.8°
C19	C18	C17	H3	180.0°	179.9°
C19	C18	C17	C16	0.5°	0.1°
C19	C18	C17	H1	179.6°	179.6°
C14	C15	C16	H4	180.0°	179.9°
C14	C15	C16	C17	0.2°	0.0°
C14	C15	C16	H2	179.8°	180.0°
C15	C14	C19	H5	179.0°	180.0°
C15	C14	C13	H10	171.6°	147.7°
N7	C6	C21	C5	179.8°	179.9°
N7	C6	C21	C22	179.1°	179.5°
N7	C6	C5	C4	179.8°	180.0°
N7	C6	C5	H6	0.2°	0.2°
N7	C6	C21	H7	0.9°	0.4°
C18	C17	C16	C15	0.5°	0.2°
C18	C17	C16	H1	180.0°	179.7°
C18	C17	C16	H2	179.5°	179.8°
C17	C18	C19	H5	179.7°	179.8°
C6	C21	C22	H7	180.0°	179.1°
C21	C6	C5	C4	0.3°	0.1°
C6	C21	C22	C3	1.8°	0.8°
C21	C6	C5	H6	179.6°	179.7°
C6	C21	C22	H9	178.2°	179.1°
C21	C6	N7	H16	172.8°	34.0°
C5	C6	C21	C22	1.1°	0.6°
C6	C5	C4	H6	180.0°	179.8°
C6	C5	C4	C3	0.4°	0.2°
C5	C6	C21	H7	178.9°	179.7°
C6	C5	C4	H8	179.6°	179.8°
C5	C6	N7	H16	7.4°	145.9°
C15	C16	C17	H2	180.0°	180.0°
C15	C16	C17	H1	179.5°	180.0°
C21	C22	C3	H9	180.0°	180.0°
C21	C22	C3	C4	1.9°	0.5°
C21	C22	C3	S2	178.4°	179.5°
C5	C4	C3	C22	1.2°	0.0°
C5	C4	C3	H8	180.0°	180.0°
C5	C4	C3	S2	179.1°	180.0°
C16	C17	C18	H3	179.5°	180.0°
C17	C16	C15	H4	179.9°	180.0°
C22	C3	C4	S2	179.8°	180.0°
C22	C3	S2	N23	134.4°	90.0°
C22	C3	S2	O24	18.9°	156.5°
C22	C3	S2	O1	109.9°	23.5°
C3	C22	C21	H7	178.2°	180.0°
C22	C3	C4	H8	178.8°	180.0°
C4	C3	S2	N23	45.9°	90.0°
C4	C3	S2	O24	161.3°	23.5°
C4	C3	S2	O1	69.8°	156.5°
C3	C4	C5	H6	179.6°	180.0°
C4	C3	C22	H9	178.2°	179.4°
C3	S2	N23	O24	113.2°	113.6°
C3	S2	N23	O1	115.9°	113.5°
C3	S2	O24	O1	121.8°	123.0°
S2	C3	C4	H8	0.9°	0.0°
S2	C3	C22	H9	1.6°	0.6°
C3	S2	N23	H14	180.0°	150.0°
C3	S2	N23	H15	60.0°	30.0°
N23	S2	O24	O1	124.3°	123.0°
S2	N23	H14	H15	120.0°	180.0°
O24	S2	N23	H14	66.8°	96.5°
O24	S2	N23	H15	53.3°	83.5°
O1	S2	N23	H14	64.1°	36.5°
O1	S2	N23	H15	175.8°	143.5°
H1	C17	C16	H2	0.5°	0.1°
H1	C17	C18	H3	0.5°	0.2°
H2	C16	C15	H4	0.1°	0.1°
H3	C18	C19	H5	0.3°	0.3°
H6	C5	C4	H8	0.4°	0.0°
H7	C21	C22	H9	1.8°	0.0°
H11	C11	H12	H13	120.0°	120.0°

Release date:	2020-08-05
Definition date:	2019-09-24
Last modified:	2020-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	6UFB