4QY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C4	sing	1.43Å	1.45Å
OAG	PAS	doub	1.48Å	1.51Å
O3	C3	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.52Å
OAH	PAS	sing	1.61Å	1.51Å
C6	C5	sing	1.53Å	1.52Å
C6	O6	sing	1.43Å	1.44Å
C3	C2	sing	1.53Å	1.53Å
PAS	O6	sing	1.61Å	1.61Å
PAS	OAC	sing	1.61Å	1.53Å
C5	O5	sing	1.43Å	1.44Å
C2	N2	sing	1.47Å	1.47Å
C2	C1	sing	1.53Å	1.53Å
O5	C1	sing	1.43Å	1.45Å
N2	C7	sing	1.35Å	1.33Å
C1	O1	sing	1.43Å	1.43Å
C7	O7	doub	1.21Å	1.21Å
C7	C8	sing	1.51Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
OAH	H9	sing	0.97Å	0.95Å
OAC	H10	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
N2	HN2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C4	C3	109.5°	109.5°
O4	C4	C5	110.1°	109.5°
O4	C4	H4	109.9°	109.6°
C4	O4	HO4	109.5°	114.0°
OAG	PAS	OAH	114.7°	109.5°
OAG	PAS	O6	105.5°	109.5°
OAG	PAS	OAC	113.3°	109.5°
O3	C3	C4	108.8°	109.6°
O3	C3	C2	110.2°	109.5°
O3	C3	H3	109.0°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C4	C5	109.6°	109.2°
C4	C3	C2	113.4°	109.0°
C3	C4	H4	108.8°	109.5°
C4	C3	H3	107.6°	109.5°
C4	C5	C6	114.7°	109.5°
C4	C5	O5	110.7°	109.4°
C5	C4	H4	109.0°	109.5°
C4	C5	H5	107.0°	109.5°
OAH	PAS	O6	103.0°	109.5°
OAH	PAS	OAC	114.8°	109.5°
PAS	OAH	H9	109.5°	114.0°
C5	C6	O6	107.6°	109.5°
C6	C5	O5	109.3°	109.5°
C6	C5	H5	106.9°	109.5°
C5	C6	H61	109.9°	109.5°
C5	C6	H62	109.9°	109.5°
C6	O6	PAS	120.0°	123.0°
O6	C6	H61	109.9°	109.5°
O6	C6	H62	109.9°	109.5°
C3	C2	N2	104.9°	109.5°
C3	C2	C1	110.2°	109.2°
C3	C2	H2	111.1°	109.6°
C2	C3	H3	107.7°	109.5°
O6	PAS	OAC	103.8°	109.5°
PAS	OAC	H10	109.5°	114.0°
C5	O5	C1	110.5°	114.1°
O5	C5	H5	108.0°	109.4°
N2	C2	C1	107.4°	109.5°
C2	N2	C7	123.0°	120.0°
N2	C2	H2	112.0°	109.5°
C2	N2	HN2	118.5°	120.0°
C2	C1	O5	109.2°	109.4°
C2	C1	O1	111.5°	109.5°
C1	C2	H2	111.1°	109.5°
C2	C1	H1	108.3°	109.5°
O5	C1	O1	108.8°	109.4°
O5	C1	H1	109.4°	109.5°
N2	C7	O7	122.0°	120.0°
N2	C7	C8	117.0°	120.0°
C7	N2	HN2	118.5°	120.0°
O1	C1	H1	109.7°	109.5°
C1	O1	HO1	109.5°	114.0°
O7	C7	C8	121.0°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.4°
C7	C8	H83	109.5°	109.5°
H61	C6	H62	109.5°	109.4°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.5°	109.5°
H82	C8	H83	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C4	C3	O3	68.9°	63.2°
O4	C4	C3	C5	120.8°	119.9°
O4	C4	C3	H4	120.2°	120.2°
O4	C4	C5	H4	120.7°	120.2°
O4	C4	C5	C6	60.1°	62.5°
O4	C4	C3	C2	168.1°	176.9°
O4	C4	C5	O5	175.6°	177.5°
O4	C4	C5	H5	58.2°	57.6°
O4	C4	C3	H3	49.1°	57.1°
OAG	PAS	OAH	O6	114.0°	120.0°
OAG	PAS	OAH	OAC	133.9°	120.0°
OAG	PAS	O6	C6	68.1°	55.0°
OAG	PAS	O6	OAC	119.4°	120.0°
OAG	PAS	OAH	H9	0.0°	180.0°
OAG	PAS	OAC	H10	0.0°	59.9°
O3	C3	C4	C2	123.0°	119.9°
O3	C3	C4	H3	118.0°	120.3°
O3	C3	C4	C5	170.2°	176.8°
O3	C3	C2	H3	118.7°	120.3°
O3	C3	C2	N2	74.4°	63.2°
O3	C3	C2	C1	170.4°	176.9°
O3	C3	C2	H2	46.8°	56.9°
O3	C3	C4	H4	51.2°	56.9°
C3	C4	C5	H4	118.9°	119.9°
C3	C4	C5	C6	179.4°	177.6°
C4	C3	C2	H3	119.0°	119.9°
C3	C4	C5	O5	55.2°	57.6°
C4	C3	C2	N2	163.3°	176.9°
C4	C3	C2	C1	48.1°	57.0°
C4	C3	C2	H2	75.5°	63.0°
C3	C4	C5	H5	62.2°	62.3°
C3	C4	O4	HO4	180.0°	180.0°
C4	C3	O3	HO3	180.0°	60.0°
C4	C5	C6	O5	125.0°	119.9°
C4	C5	C6	H5	118.4°	120.1°
C4	C5	C6	O6	178.7°	175.0°
C5	C4	C3	C2	47.2°	57.0°
C4	C5	O5	H5	116.8°	119.9°
C4	C5	O5	C1	66.3°	61.2°
C4	C5	C6	H61	61.6°	55.0°
C4	C5	C6	H62	59.0°	64.9°
C5	C4	O4	HO4	59.5°	60.3°
C5	C4	C3	H3	71.8°	62.9°
OAH	PAS	O6	C6	52.6°	65.0°
OAH	PAS	O6	OAC	120.0°	120.0°
OAH	PAS	OAC	H10	134.5°	60.1°
C5	C6	O6	H61	119.7°	120.0°
C5	C6	O6	H62	119.7°	120.0°
C5	C6	O6	PAS	148.3°	180.0°
C6	C5	O5	H5	115.9°	120.1°
C6	C5	O5	C1	166.4°	178.8°
C6	C5	C4	H4	60.5°	57.7°
C5	C6	H61	H62	120.8°	120.0°
C6	O6	PAS	OAC	172.6°	175.1°
O6	C6	C5	O5	53.7°	65.1°
O6	C6	C5	H5	62.9°	55.0°
O6	C6	H61	H62	120.9°	120.0°
C3	C2	N2	C1	117.2°	119.7°
C3	C2	N2	H2	120.6°	120.2°
C3	C2	C1	H2	123.6°	120.0°
C3	C2	C1	O5	55.8°	57.6°
C3	C2	N2	C7	113.1°	155.3°
C3	C2	C1	O1	176.1°	177.6°
C2	C3	C4	H4	71.8°	62.9°
C2	C3	O3	HO3	55.1°	179.6°
C3	C2	C1	H1	63.2°	62.4°
C3	C2	N2	HN2	66.9°	24.7°
PAS	O6	C6	H61	28.5°	60.0°
PAS	O6	C6	H62	92.1°	60.0°
O6	PAS	OAH	H9	114.0°	60.0°
O6	PAS	OAC	H10	113.9°	179.9°
OAC	PAS	OAH	H9	133.9°	60.0°
C5	O5	C1	C2	66.0°	61.2°
C5	O5	C1	O1	172.2°	178.8°
O5	C5	C4	H4	63.7°	62.3°
O5	C5	C6	H61	173.5°	174.9°
O5	C5	C6	H62	66.0°	55.0°
C5	O5	C1	H1	52.4°	58.8°
N2	C2	C1	H2	122.8°	120.1°
N2	C2	C1	O5	169.5°	177.5°
C2	N2	C7	HN2	180.0°	179.9°
N2	C2	C1	O1	70.3°	62.6°
C2	N2	C7	O7	1.2°	0.1°
C2	N2	C7	C8	179.7°	180.0°
N2	C2	C3	H3	44.3°	57.0°
N2	C2	C1	H1	50.4°	57.5°
C2	C1	O5	O1	121.9°	119.9°
C2	C1	O5	H1	118.3°	120.0°
C1	C2	N2	C7	129.7°	85.0°
C2	C1	O1	H1	119.9°	120.1°
C1	C2	C3	H3	70.9°	62.9°
C2	C1	O1	HO1	180.0°	180.0°
C1	C2	N2	HN2	50.3°	94.9°
O5	C1	O1	H1	119.6°	120.0°
O5	C1	C2	H2	67.7°	62.4°
C1	O5	C5	H5	50.5°	58.8°
O5	C1	O1	HO1	59.5°	60.1°
N2	C7	O7	C8	179.1°	179.9°
C7	N2	C2	H2	7.5°	35.1°
N2	C7	C8	H81	179.2°	60.0°
N2	C7	C8	H82	60.8°	179.9°
N2	C7	C8	H83	59.2°	60.0°
O1	C1	C2	H2	52.5°	57.6°
O7	C7	C8	H81	0.0°	120.0°
O7	C7	C8	H82	120.0°	0.0°
O7	C7	C8	H83	120.0°	120.0°
O7	C7	N2	HN2	178.8°	180.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	N2	HN2	0.3°	0.1°
H2	C2	C3	H3	165.5°	177.2°
H2	C2	C1	H1	173.2°	177.6°
H2	C2	N2	HN2	172.5°	144.9°
H4	C4	C5	H5	178.9°	177.8°
H4	C4	O4	HO4	60.6°	59.8°
H4	C4	C3	H3	169.2°	177.2°
H5	C5	C6	H61	56.8°	65.1°
H5	C5	C6	H62	177.4°	175.0°
H81	C8	H82	H83	120.0°	120.0°
H3	C3	O3	HO3	62.9°	60.2°
H1	C1	O1	HO1	60.1°	59.9°

Release date:	2016-06-08
Definition date:	2015-05-13
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	4ZSK