5WY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAC	CAE	doub	1.38Å	1.42Å	Aromatic
CAC	CAD	sing	1.38Å	1.41Å	Aromatic
CAE	CAL	sing	1.40Å	1.41Å	Aromatic
OAB	CAJ	doub	1.22Å	1.23Å
CAD	CAK	doub	1.39Å	1.37Å	Aromatic
CAL	CAJ	sing	1.48Å	1.45Å
CAL	CAM	doub	1.40Å	1.42Å	Aromatic
CAJ	NAA	sing	1.35Å	1.32Å
CAK	CAM	sing	1.39Å	1.44Å	Aromatic
CAK	OAH	sing	1.36Å	1.35Å
CAM	OAI	sing	1.36Å	1.36Å
OAH	CAF	sing	1.43Å	1.41Å
OAI	CAG	sing	1.43Å	1.45Å
CAF	CAG	sing	1.54Å	1.49Å
CAE	H1	sing	1.08Å	1.08Å
CAC	H2	sing	1.08Å	1.08Å
CAD	H3	sing	1.08Å	1.08Å
CAF	H4	sing	1.09Å	1.10Å
CAF	H5	sing	1.09Å	1.10Å
CAG	H6	sing	1.09Å	1.10Å
CAG	H7	sing	1.09Å	1.10Å
NAA	H8	sing	0.97Å	1.00Å
NAA	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAE	CAC	CAD	121.2°	120.3°
CAC	CAE	CAL	122.8°	120.0°
CAC	CAE	H1	118.6°	120.0°
CAE	CAC	H2	119.4°	119.8°
CAC	CAD	CAK	118.1°	120.4°
CAD	CAC	H2	119.4°	119.9°
CAC	CAD	H3	120.9°	119.8°
CAE	CAL	CAJ	119.1°	120.2°
CAE	CAL	CAM	114.6°	119.7°
CAL	CAE	H1	118.6°	120.0°
OAB	CAJ	CAL	120.9°	120.0°
OAB	CAJ	NAA	118.6°	120.0°
CAD	CAK	CAM	120.6°	119.9°
CAD	CAK	OAH	119.0°	119.4°
CAK	CAD	H3	121.0°	119.8°
CAJ	CAL	CAM	126.3°	120.1°
CAL	CAJ	NAA	120.1°	120.0°
CAL	CAM	CAK	122.8°	119.7°
CAL	CAM	OAI	117.7°	119.5°
CAJ	NAA	H8	120.0°	120.0°
CAJ	NAA	H9	120.0°	120.0°
CAM	CAK	OAH	120.4°	120.7°
CAK	CAM	OAI	119.5°	120.8°
CAK	OAH	CAF	116.1°	116.7°
CAM	OAI	CAG	115.6°	116.7°
OAH	CAF	CAG	107.3°	108.2°
OAH	CAF	H4	110.0°	109.7°
OAH	CAF	H5	110.0°	109.7°
OAI	CAG	CAF	110.3°	108.2°
OAI	CAG	H6	109.3°	109.8°
OAI	CAG	H7	109.3°	109.7°
CAG	CAF	H4	110.0°	109.7°
CAG	CAF	H5	110.0°	109.7°
CAF	CAG	H6	109.3°	109.7°
CAF	CAG	H7	109.3°	109.7°
H4	CAF	H5	109.5°	109.7°
H6	CAG	H7	109.4°	109.7°
H8	NAA	H9	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAE	CAC	CAD	H2	180.0°	179.9°
CAC	CAE	CAL	H1	180.0°	179.6°
CAE	CAC	CAD	CAK	0.9°	0.0°
CAC	CAE	CAL	CAJ	178.9°	179.7°
CAC	CAE	CAL	CAM	0.4°	0.1°
CAE	CAC	CAD	H3	179.1°	180.0°
CAD	CAC	CAE	CAL	0.9°	0.2°
CAC	CAD	CAK	H3	180.0°	180.0°
CAC	CAD	CAK	CAM	0.4°	0.1°
CAC	CAD	CAK	OAH	177.1°	179.6°
CAD	CAC	CAE	H1	179.1°	179.8°
CAE	CAL	CAJ	OAB	6.0°	180.0°
CAE	CAL	CAJ	CAM	178.4°	179.8°
CAE	CAL	CAJ	NAA	178.5°	0.1°
CAE	CAL	CAM	CAK	0.1°	0.1°
CAE	CAL	CAM	OAI	178.7°	179.8°
CAL	CAE	CAC	H2	179.0°	179.9°
OAB	CAJ	CAL	NAA	172.6°	180.0°
OAB	CAJ	CAL	CAM	172.4°	0.2°
OAB	CAJ	NAA	H8	0.0°	180.0°
OAB	CAJ	NAA	H9	180.0°	0.0°
CAD	CAK	CAM	CAL	0.1°	0.2°
CAD	CAK	CAM	OAH	177.5°	179.8°
CAD	CAK	CAM	OAI	178.8°	179.7°
CAD	CAK	OAH	CAF	160.5°	162.9°
CAK	CAD	CAC	H2	179.1°	179.9°
CAJ	CAL	CAM	CAK	178.3°	179.9°
CAJ	CAL	CAM	OAI	2.8°	0.0°
CAJ	CAL	CAE	H1	1.1°	0.1°
CAL	CAJ	NAA	H8	172.7°	0.0°
CAL	CAJ	NAA	H9	7.3°	180.0°
CAM	CAL	CAJ	NAA	0.2°	179.7°
CAL	CAM	CAK	OAI	178.8°	179.9°
CAL	CAM	CAK	OAH	177.6°	179.6°
CAL	CAM	OAI	CAG	165.0°	162.7°
CAM	CAL	CAE	H1	179.6°	179.7°
CAJ	NAA	H8	H9	180.0°	180.0°
CAM	CAK	OAH	CAF	21.9°	17.3°
CAK	CAM	OAI	CAG	13.9°	17.4°
CAM	CAK	CAD	H3	179.6°	179.9°
OAH	CAK	CAM	OAI	1.3°	0.5°
CAK	OAH	CAF	CAG	51.3°	46.2°
OAH	CAK	CAD	H3	2.9°	0.4°
CAK	OAH	CAF	H4	68.3°	165.8°
CAK	OAH	CAF	H5	171.0°	73.5°
CAM	OAI	CAG	CAF	44.5°	46.3°
CAM	OAI	CAG	H6	75.7°	73.4°
CAM	OAI	CAG	H7	164.6°	166.0°
OAH	CAF	CAG	OAI	62.4°	59.7°
OAH	CAF	CAG	H4	119.7°	119.7°
OAH	CAF	CAG	H5	119.7°	119.7°
OAH	CAF	H4	H5	121.0°	120.6°
OAH	CAF	CAG	H6	57.8°	60.0°
OAH	CAF	CAG	H7	177.5°	179.4°
OAI	CAG	CAF	H6	120.2°	119.8°
OAI	CAG	CAF	H7	120.1°	119.7°
OAI	CAG	CAF	H4	57.3°	179.4°
OAI	CAG	CAF	H5	178.0°	60.0°
OAI	CAG	H6	H7	119.6°	120.6°
CAG	CAF	H4	H5	121.0°	120.6°
CAF	CAG	H6	H7	119.6°	120.5°
H1	CAE	CAC	H2	0.9°	0.3°
H2	CAC	CAD	H3	0.9°	0.1°
H4	CAF	CAG	H6	177.4°	59.6°
H4	CAF	CAG	H7	62.8°	60.9°
H5	CAF	CAG	H6	61.9°	179.8°
H5	CAF	CAG	H7	57.9°	59.7°

Release date:	2016-01-13
Definition date:	2015-12-17
Last modified:	2016-01-08
Release status:	REL
Processing site:	EBI
Derived from:	5FE4