A0Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	P1	doub	1.48Å	1.51Å
O5	P1	sing	1.61Å	1.51Å
P1	O9	sing	1.61Å	1.55Å
P1	O3	sing	1.61Å	1.60Å
F21	C20	sing	1.40Å	1.32Å
F23	C20	sing	1.40Å	1.31Å
O3	B1	sing	1.42Å	1.46Å
F22	C20	sing	1.40Å	1.32Å
O8	S6	doub	1.42Å	1.43Å
C20	C10	sing	1.51Å	1.46Å
N5	S6	sing	1.66Å	1.61Å
N5	C4	sing	1.46Å	1.46Å
B1	O2	sing	1.42Å	1.51Å
B1	C4	sing	1.57Å	1.59Å
S6	C9	sing	1.76Å	1.66Å
S6	O7	doub	1.42Å	1.45Å
C10	C9	doub	1.38Å	1.50Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C9	C14	sing	1.38Å	1.41Å	Aromatic
C11	C12	doub	1.39Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.40Å	1.38Å	Aromatic
C12	C15	sing	1.48Å	1.49Å
N16	C15	sing	1.36Å	1.35Å	Aromatic
N16	N17	sing	1.41Å	1.41Å	Aromatic
C15	N19	doub	1.32Å	1.32Å	Aromatic
N17	N18	doub	1.29Å	1.40Å	Aromatic
N19	N18	sing	1.28Å	1.41Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
O2	H3	sing	0.97Å	0.95Å
N5	H4	sing	0.97Å	1.00Å
C11	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
N16	H8	sing	0.97Å	1.00Å
O5	H9	sing	0.97Å	0.95Å
O9	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	P1	O5	104.8°	109.5°
O6	P1	O9	113.4°	109.5°
O6	P1	O3	115.4°	109.4°
O5	P1	O9	114.0°	109.5°
O5	P1	O3	108.9°	109.5°
P1	O5	H9	109.5°	113.9°
O9	P1	O3	100.6°	109.5°
P1	O9	H10	109.5°	114.0°
P1	O3	B1	129.9°	114.0°
F21	C20	F23	110.1°	109.5°
F21	C20	F22	106.8°	109.5°
F21	C20	C10	111.0°	109.5°
F23	C20	F22	111.4°	109.4°
F23	C20	C10	109.5°	109.5°
O3	B1	O2	116.6°	120.0°
O3	B1	C4	121.0°	120.0°
F22	C20	C10	108.0°	109.5°
O8	S6	N5	98.3°	106.4°
O8	S6	C9	119.9°	106.4°
O8	S6	O7	112.5°	123.1°
C20	C10	C9	122.2°	119.9°
C20	C10	C11	117.5°	119.9°
S6	N5	C4	123.5°	120.0°
N5	S6	C9	111.2°	107.2°
N5	S6	O7	110.7°	106.4°
S6	N5	H4	105.9°	120.0°
N5	C4	B1	108.0°	109.5°
N5	C4	H1	109.8°	109.5°
N5	C4	H2	109.8°	109.5°
C4	N5	H4	105.8°	120.0°
O2	B1	C4	109.9°	120.0°
B1	O2	H3	109.5°	114.0°
B1	C4	H1	109.8°	109.5°
B1	C4	H2	109.8°	109.4°
C9	S6	O7	104.2°	106.4°
S6	C9	C10	126.9°	119.9°
S6	C9	C14	120.5°	119.9°
C9	C10	C11	120.3°	120.1°
C10	C9	C14	112.6°	120.2°
C10	C11	C12	123.1°	119.9°
C10	C11	H5	118.5°	120.0°
C9	C14	C13	125.4°	120.1°
C9	C14	H7	117.3°	119.9°
C11	C12	C13	119.0°	119.7°
C11	C12	C15	116.4°	120.1°
C12	C11	H5	118.5°	120.1°
C14	C13	C12	119.6°	119.9°
C14	C13	H6	120.2°	120.0°
C13	C14	H7	117.3°	119.9°
C13	C12	C15	124.5°	120.2°
C12	C13	H6	120.2°	120.1°
C12	C15	N16	133.0°	126.5°
C12	C15	N19	117.9°	126.5°
C15	N16	N17	106.9°	105.2°
N16	C15	N19	109.1°	107.0°
C15	N16	H8	126.5°	127.4°
N16	N17	N18	109.2°	106.8°
N17	N16	H8	126.6°	127.3°
C15	N19	N18	112.1°	110.5°
N17	N18	N19	102.7°	110.4°
H1	C4	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	P1	O5	O9	124.5°	120.1°
O6	P1	O5	O3	124.0°	120.0°
O6	P1	O9	O3	123.9°	119.9°
O6	P1	O3	B1	150.9°	60.0°
O6	P1	O5	H9	0.0°	60.0°
O6	P1	O9	H10	0.0°	179.9°
O5	P1	O9	O3	116.4°	120.0°
O5	P1	O3	B1	91.7°	180.0°
O5	P1	O9	H10	119.8°	60.0°
O9	P1	O3	B1	28.4°	60.0°
O9	P1	O5	H9	124.5°	60.1°
P1	O3	B1	O2	54.6°	0.0°
P1	O3	B1	C4	83.6°	180.0°
O3	P1	O5	H9	124.1°	180.0°
O3	P1	O9	H10	123.8°	60.0°
F21	C20	F23	F22	118.3°	120.0°
F21	C20	F23	C10	122.3°	120.0°
F21	C20	F22	C10	119.4°	120.0°
F21	C20	C10	C9	35.2°	174.1°
F21	C20	C10	C11	144.5°	6.0°
F23	C20	F22	C10	120.3°	120.0°
F23	C20	C10	C9	86.6°	65.9°
F23	C20	C10	C11	93.6°	114.0°
O3	B1	C4	N5	73.8°	180.0°
O3	B1	O2	C4	142.6°	179.9°
O3	B1	C4	H1	166.4°	59.9°
O3	B1	C4	H2	46.0°	60.1°
O3	B1	O2	H3	180.0°	0.0°
F22	C20	C10	C9	151.9°	54.1°
F22	C20	C10	C11	27.8°	126.0°
O8	S6	N5	C9	126.7°	113.6°
O8	S6	N5	O7	118.0°	132.9°
O8	S6	N5	C4	143.6°	51.3°
O8	S6	C9	O7	127.0°	132.9°
O8	S6	C9	C10	30.8°	179.8°
O8	S6	C9	C14	150.1°	0.0°
O8	S6	N5	H4	21.7°	128.7°
C20	C10	C9	S6	0.9°	0.0°
C20	C10	C9	C11	179.7°	180.0°
C20	C10	C9	C14	178.3°	179.7°
C20	C10	C11	C12	179.6°	180.0°
C20	C10	C11	H5	0.3°	0.1°
S6	N5	C4	H4	121.9°	180.0°
S6	N5	C4	B1	173.4°	175.0°
N5	S6	C9	O7	119.3°	113.5°
N5	S6	C9	C10	82.9°	66.6°
N5	S6	C9	C14	96.2°	113.6°
S6	N5	C4	H1	53.7°	54.9°
S6	N5	C4	H2	66.8°	65.1°
N5	C4	B1	O2	66.8°	0.1°
N5	C4	B1	H1	119.8°	120.1°
N5	C4	B1	H2	119.8°	119.9°
C4	N5	S6	C9	89.8°	62.3°
C4	N5	S6	O7	25.6°	175.9°
N5	C4	H1	H2	120.7°	120.0°
O2	B1	C4	H1	53.0°	120.0°
O2	B1	C4	H2	173.4°	120.0°
B1	C4	H1	H2	120.7°	119.9°
C4	B1	O2	H3	37.4°	179.9°
B1	C4	N5	H4	64.6°	5.0°
S6	C9	C10	C14	179.2°	179.8°
S6	C9	C10	C11	179.4°	180.0°
S6	C9	C14	C13	179.0°	179.7°
C9	S6	N5	H4	148.3°	117.7°
S6	C9	C14	H7	1.0°	0.0°
O7	S6	C9	C10	157.8°	46.9°
O7	S6	C9	C14	23.1°	132.9°
O7	S6	N5	H4	96.3°	4.1°
C9	C10	C11	C12	0.6°	0.0°
C10	C9	C14	C13	1.8°	0.5°
C9	C10	C11	H5	179.4°	180.0°
C10	C9	C14	H7	178.2°	179.7°
C11	C10	C9	C14	1.4°	0.2°
C10	C11	C12	H5	180.0°	180.0°
C10	C11	C12	C13	2.5°	0.0°
C10	C11	C12	C15	179.7°	179.9°
C9	C14	C13	H7	180.0°	179.8°
C9	C14	C13	C12	0.0°	0.5°
C9	C14	C13	H6	180.0°	179.7°
C11	C12	C13	C14	2.2°	0.3°
C11	C12	C13	C15	177.6°	179.9°
C11	C12	C15	N16	13.2°	179.7°
C11	C12	C15	N19	167.2°	0.0°
C11	C12	C13	H6	177.8°	180.0°
C14	C13	C12	H6	180.0°	179.7°
C14	C13	C12	C15	179.8°	179.8°
C13	C12	C15	N16	164.4°	0.2°
C13	C12	C15	N19	15.2°	179.9°
C13	C12	C11	H5	177.5°	179.9°
C12	C13	C14	H7	180.0°	179.7°
C12	C15	N16	N19	179.6°	179.8°
C12	C15	N16	N17	178.7°	180.0°
C12	C15	N19	N18	179.6°	179.8°
C15	C12	C11	H5	0.3°	0.0°
C15	C12	C13	H6	0.3°	0.0°
C12	C15	N16	H8	1.3°	0.0°
C15	N16	N17	H8	180.0°	180.0°
C15	N16	N17	N18	1.4°	0.0°
N16	C15	N19	N18	0.1°	0.4°
N17	N16	C15	N19	0.9°	0.2°
N16	N17	N18	N19	1.2°	0.3°
C15	N19	N18	N17	0.7°	0.4°
N19	C15	N16	H8	179.1°	179.7°
N18	N17	N16	H8	178.6°	180.0°
H1	C4	N5	H4	175.6°	125.1°
H2	C4	N5	H4	55.1°	114.9°
H6	C13	C14	H7	0.0°	0.0°

Release date:	2017-12-06
Definition date:	2017-07-05
Last modified:	2017-12-01
Release status:	REL
Processing site:	RCSB
Derived from:	5WAF