DY5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	N17	doub	1.22Å	1.22Å
O19	N17	sing	1.22Å	1.22Å
N17	C03	sing	1.48Å	1.57Å
O12	C11	doub	1.21Å	1.23Å
C01	C02	sing	1.51Å	1.48Å
C03	C02	doub	1.38Å	1.38Å	Aromatic
C03	C04	sing	1.40Å	1.44Å	Aromatic
C11	C04	sing	1.47Å	1.51Å
C11	C10	sing	1.52Å	1.49Å
C02	C07	sing	1.39Å	1.41Å	Aromatic
C04	C05	doub	1.40Å	1.40Å	Aromatic
C10	C09	sing	1.54Å	1.32Å
C07	C06	doub	1.38Å	1.38Å	Aromatic
F15	C13	sing	1.40Å	1.36Å
C05	C06	sing	1.39Å	1.43Å	Aromatic
C05	O08	sing	1.35Å	1.39Å
C09	C13	sing	1.53Å	1.50Å
C09	O08	sing	1.43Å	1.33Å
C13	F16	sing	1.40Å	1.36Å
C13	F14	sing	1.40Å	1.35Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C06	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	N17	O19	124.5°	120.0°
O18	N17	C03	115.5°	120.0°
O19	N17	C03	120.1°	120.0°
N17	C03	C02	117.1°	120.2°
N17	C03	C04	120.4°	120.2°
O12	C11	C04	124.4°	121.8°
O12	C11	C10	122.3°	121.8°
C01	C02	C03	122.0°	119.9°
C01	C02	C07	118.6°	119.9°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.4°	109.5°
C02	C01	H5	109.5°	109.5°
C02	C03	C04	122.5°	119.6°
C03	C02	C07	119.5°	120.2°
C03	C04	C11	126.3°	120.7°
C03	C04	C05	116.1°	120.2°
C04	C11	C10	113.2°	116.5°
C11	C04	C05	117.6°	119.0°
C11	C10	C09	119.6°	107.1°
C11	C10	H1	106.9°	109.9°
C11	C10	H2	106.9°	110.0°
C02	C07	C06	120.2°	120.7°
C02	C07	H7	120.0°	119.6°
C04	C05	C06	121.9°	119.2°
C04	C05	O08	122.6°	120.8°
C10	C09	C13	120.4°	109.5°
C10	C09	O08	123.3°	109.4°
C09	C10	H1	106.9°	109.9°
C09	C10	H2	106.9°	109.9°
C10	C09	H8	102.2°	109.5°
C07	C06	C05	119.9°	120.1°
C07	C06	H6	120.0°	120.0°
C06	C07	H7	119.9°	119.7°
F15	C13	C09	113.6°	109.5°
F15	C13	F16	105.5°	109.4°
F15	C13	F14	109.6°	109.5°
C06	C05	O08	115.4°	120.0°
C05	C06	H6	120.1°	120.0°
C05	O08	C09	115.3°	118.7°
C13	C09	O08	104.1°	109.5°
C09	C13	F16	109.6°	109.5°
C09	C13	F14	111.5°	109.5°
C13	C09	H8	100.7°	109.5°
O08	C09	H8	102.1°	109.5°
F16	C13	F14	106.7°	109.5°
H1	C10	H2	109.5°	110.0°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.4°	109.4°
H4	C01	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	N17	O19	C03	179.2°	179.9°
O18	N17	C03	C02	80.0°	90.0°
O18	N17	C03	C04	99.5°	89.9°
O19	N17	C03	C02	99.3°	90.0°
O19	N17	C03	C04	81.2°	90.0°
N17	C03	C02	C01	0.2°	0.1°
N17	C03	C02	C04	179.4°	180.0°
N17	C03	C04	C11	1.3°	0.5°
N17	C03	C02	C07	179.5°	180.0°
N17	C03	C04	C05	179.5°	179.7°
O12	C11	C04	C03	6.9°	11.9°
O12	C11	C04	C10	179.0°	180.0°
O12	C11	C04	C05	172.2°	167.9°
O12	C11	C10	C09	175.6°	139.9°
O12	C11	C10	H1	63.0°	100.7°
O12	C11	C10	H2	54.1°	20.5°
C01	C02	C03	C07	179.7°	179.9°
C01	C02	C03	C04	179.6°	179.9°
C01	C02	C07	C06	179.8°	179.8°
C02	C01	H3	H4	120.0°	120.1°
C02	C01	H3	H5	120.0°	120.0°
C02	C01	H4	H5	120.0°	120.0°
C01	C02	C07	H7	0.2°	0.2°
C02	C03	C04	C11	179.3°	179.5°
C02	C03	C04	C05	0.1°	0.3°
C03	C02	C07	C06	0.0°	0.1°
C03	C02	C01	H3	90.1°	90.0°
C03	C02	C01	H4	149.9°	30.1°
C03	C02	C01	H5	29.9°	150.0°
C03	C02	C07	H7	180.0°	179.8°
C03	C04	C11	C05	179.1°	179.8°
C03	C04	C11	C10	174.1°	168.1°
C04	C03	C02	C07	0.1°	0.0°
C03	C04	C05	C06	0.0°	0.4°
C03	C04	C05	O08	178.1°	179.4°
C04	C11	C10	C09	5.4°	40.1°
C11	C04	C05	C06	179.2°	179.4°
C11	C04	C05	O08	1.1°	0.8°
C04	C11	C10	H1	116.0°	79.3°
C04	C11	C10	H2	126.9°	159.5°
C10	C11	C04	C05	6.8°	12.1°
C11	C10	C09	H1	121.4°	119.4°
C11	C10	C09	H2	121.5°	119.5°
C11	C10	C09	C13	108.0°	178.6°
C11	C10	C09	O08	28.3°	58.7°
C11	C10	H1	H2	115.4°	121.2°
C11	C10	C09	H8	141.7°	61.3°
C02	C07	C06	H7	180.0°	180.0°
C02	C07	C06	C05	0.1°	0.0°
C07	C02	C01	H3	90.1°	89.9°
C07	C02	C01	H4	29.9°	150.0°
C07	C02	C01	H5	149.9°	30.1°
C02	C07	C06	H6	179.8°	180.0°
C04	C05	C06	C07	0.1°	0.3°
C04	C05	C06	O08	178.3°	179.8°
C04	C05	O08	C09	21.3°	22.6°
C04	C05	C06	H6	179.9°	179.7°
C10	C09	C13	F15	21.4°	60.0°
C10	C09	O08	C05	35.9°	52.7°
C10	C09	C13	O08	143.5°	119.9°
C10	C09	C13	H8	111.1°	120.1°
C10	C09	O08	H8	113.5°	120.0°
C10	C09	C13	F16	139.1°	60.0°
C10	C09	C13	F14	103.0°	180.0°
C09	C10	H1	H2	115.4°	121.1°
C07	C06	C05	H6	180.0°	180.0°
C07	C06	C05	O08	178.4°	179.5°
F15	C13	C09	F16	117.7°	119.9°
F15	C13	C09	F14	124.4°	120.0°
F15	C13	C09	O08	122.1°	179.8°
F15	C13	F16	F14	116.5°	120.0°
F15	C13	C09	H8	132.5°	60.1°
C06	C05	O08	C09	160.5°	157.6°
C05	C06	C07	H7	179.9°	180.0°
C05	O08	C09	C13	106.2°	172.7°
O08	C05	C06	H6	1.6°	0.5°
C05	O08	C09	H8	149.4°	67.3°
C13	C09	O08	H8	104.4°	120.1°
C09	C13	F16	F14	120.8°	120.0°
C13	C09	C10	H1	130.6°	59.2°
C13	C09	C10	H2	13.5°	61.9°
O08	C09	C13	F16	4.3°	59.9°
O08	C09	C13	F14	113.6°	60.1°
O08	C09	C10	H1	93.1°	60.7°
O08	C09	C10	H2	149.7°	178.2°
F16	C13	C09	H8	109.8°	180.0°
F14	C13	C09	H8	8.1°	59.9°
H1	C10	C09	H8	20.3°	179.3°
H2	C10	C09	H8	96.8°	58.1°
H3	C01	H4	H5	120.0°	120.0°
H6	C06	C07	H7	0.2°	0.0°

Release date:	2019-03-13
Definition date:	2018-02-05
Last modified:	2019-03-08
Release status:	REL
Processing site:	RCSB
Derived from:	6FNE