NYJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAI	CAH	sing	1.51Å	1.40Å
CAH	CAG	sing	1.46Å	1.42Å
CAH	CAJ	doub	1.37Å	1.41Å
CAG	CAB	sing	1.39Å	1.43Å	Aromatic
CAG	CAF	doub	1.43Å	1.43Å	Aromatic
CAB	CAA	sing	1.51Å	1.43Å
CAB	CAC	doub	1.38Å	1.39Å	Aromatic
CAC	CAD	sing	1.38Å	1.38Å	Aromatic
CAD	CAE	doub	1.37Å	1.39Å	Aromatic
CAE	CAF	sing	1.40Å	1.40Å	Aromatic
CAF	CAL	sing	1.47Å	1.41Å
CAL	OAM	doub	1.22Å	1.23Å
CAL	NAK	sing	1.34Å	1.38Å
NAK	CAJ	sing	1.37Å	1.40Å
CAJ	CAN	sing	1.48Å	1.40Å
CAN	CAO	sing	1.40Å	1.39Å	Aromatic
CAN	CAS	doub	1.40Å	1.39Å	Aromatic
CAO	CAP	doub	1.38Å	1.40Å	Aromatic
CAP	CAQ	sing	1.38Å	1.39Å	Aromatic
CAQ	CAR	doub	1.38Å	1.39Å	Aromatic
CAR	CAS	sing	1.38Å	1.38Å	Aromatic
CAI	HAI1	sing	1.09Å	1.10Å
CAI	HAI2	sing	1.09Å	1.10Å
CAI	HAI3	sing	1.09Å	1.10Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å
CAC	HAC	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
NAK	HAK	sing	0.97Å	1.00Å
CAO	HAO	sing	1.08Å	1.08Å
CAS	HAS	sing	1.08Å	1.08Å
CAP	HAP	sing	1.08Å	1.08Å
CAQ	HAQ	sing	1.08Å	1.08Å
CAR	HAR	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAI	CAH	CAG	122.2°	124.8°
CAI	CAH	CAJ	117.3°	115.1°
CAH	CAI	HAI1	109.5°	109.5°
CAH	CAI	HAI2	109.5°	109.4°
CAH	CAI	HAI3	109.5°	109.5°
CAG	CAH	CAJ	120.4°	120.1°
CAH	CAG	CAB	125.1°	126.4°
CAH	CAG	CAF	117.6°	116.3°
CAH	CAJ	NAK	120.1°	123.1°
CAH	CAJ	CAN	126.1°	117.9°
CAB	CAG	CAF	117.3°	117.3°
CAG	CAB	CAA	125.6°	124.7°
CAG	CAB	CAC	120.6°	120.4°
CAG	CAF	CAE	120.1°	121.1°
CAG	CAF	CAL	121.3°	119.9°
CAA	CAB	CAC	113.7°	114.9°
CAB	CAA	HAA1	109.5°	109.4°
CAB	CAA	HAA2	109.4°	109.5°
CAB	CAA	HAA3	109.5°	109.5°
CAB	CAC	CAD	121.1°	122.0°
CAB	CAC	HAC	119.4°	118.4°
CAC	CAD	CAE	119.7°	119.5°
CAD	CAC	HAC	119.5°	119.7°
CAC	CAD	HAD	120.2°	120.4°
CAD	CAE	CAF	121.1°	119.7°
CAE	CAD	HAD	120.2°	120.1°
CAD	CAE	HAE	119.4°	120.3°
CAE	CAF	CAL	118.6°	119.0°
CAF	CAE	HAE	119.4°	120.1°
CAF	CAL	OAM	123.4°	120.0°
CAF	CAL	NAK	119.5°	119.7°
OAM	CAL	NAK	117.1°	120.3°
CAL	NAK	CAJ	121.1°	120.9°
CAL	NAK	HAK	119.4°	119.4°
NAK	CAJ	CAN	113.8°	119.0°
CAJ	NAK	HAK	119.4°	119.6°
CAJ	CAN	CAO	122.5°	120.2°
CAJ	CAN	CAS	118.7°	120.1°
CAO	CAN	CAS	118.7°	119.7°
CAN	CAO	CAP	120.1°	119.9°
CAN	CAO	HAO	119.9°	120.1°
CAN	CAS	CAR	121.4°	119.8°
CAN	CAS	HAS	119.3°	120.1°
CAO	CAP	CAQ	120.6°	120.1°
CAP	CAO	HAO	120.0°	120.1°
CAO	CAP	HAP	119.7°	119.9°
CAP	CAQ	CAR	119.3°	120.3°
CAQ	CAP	HAP	119.7°	119.9°
CAP	CAQ	HAQ	120.4°	119.9°
CAQ	CAR	CAS	119.9°	120.1°
CAR	CAQ	HAQ	120.4°	119.8°
CAQ	CAR	HAR	120.0°	120.0°
CAR	CAS	HAS	119.3°	120.1°
CAS	CAR	HAR	120.0°	119.9°
HAI1	CAI	HAI2	109.4°	109.5°
HAI1	CAI	HAI3	109.5°	109.4°
HAI2	CAI	HAI3	109.5°	109.5°
HAA1	CAA	HAA2	109.5°	109.4°
HAA1	CAA	HAA3	109.5°	109.5°
HAA2	CAA	HAA3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAI	CAH	CAG	CAJ	178.5°	180.0°
CAI	CAH	CAG	CAB	1.5°	0.1°
CAI	CAH	CAG	CAF	178.7°	179.9°
CAI	CAH	CAJ	NAK	179.5°	180.0°
CAI	CAH	CAJ	CAN	2.2°	0.1°
CAH	CAI	HAI1	HAI2	120.0°	120.0°
CAH	CAI	HAI1	HAI3	120.0°	120.0°
CAH	CAI	HAI2	HAI3	120.0°	120.1°
CAH	CAG	CAB	CAF	179.9°	180.0°
CAH	CAG	CAB	CAA	0.7°	0.0°
CAH	CAG	CAB	CAC	179.2°	180.0°
CAH	CAG	CAF	CAE	178.4°	180.0°
CAH	CAG	CAF	CAL	0.5°	0.0°
CAG	CAH	CAJ	NAK	0.9°	0.0°
CAG	CAH	CAJ	CAN	179.2°	179.9°
CAG	CAH	CAI	HAI1	180.0°	84.6°
CAG	CAH	CAI	HAI2	60.0°	155.4°
CAG	CAH	CAI	HAI3	60.0°	35.3°
CAJ	CAH	CAG	CAB	180.0°	179.9°
CAJ	CAH	CAG	CAF	0.1°	0.1°
CAH	CAJ	NAK	CAL	1.1°	0.1°
CAH	CAJ	NAK	CAN	178.5°	179.9°
CAH	CAJ	CAN	CAO	52.3°	56.2°
CAH	CAJ	CAN	CAS	130.4°	124.1°
CAJ	CAH	CAI	HAI1	1.4°	95.4°
CAJ	CAH	CAI	HAI2	121.4°	24.6°
CAJ	CAH	CAI	HAI3	118.6°	144.7°
CAH	CAJ	NAK	HAK	178.9°	179.9°
CAG	CAB	CAA	CAC	179.9°	180.0°
CAG	CAB	CAC	CAD	0.2°	0.1°
CAB	CAG	CAF	CAE	1.7°	0.0°
CAB	CAG	CAF	CAL	179.4°	180.0°
CAG	CAB	CAA	HAA1	90.1°	83.8°
CAG	CAB	CAA	HAA2	149.9°	156.2°
CAG	CAB	CAA	HAA3	29.9°	36.2°
CAG	CAB	CAC	HAC	179.8°	180.0°
CAF	CAG	CAB	CAA	179.2°	180.0°
CAF	CAG	CAB	CAC	1.0°	0.0°
CAG	CAF	CAE	CAD	1.4°	0.0°
CAG	CAF	CAE	CAL	178.9°	180.0°
CAG	CAF	CAL	OAM	178.9°	179.9°
CAG	CAF	CAL	NAK	0.3°	0.1°
CAG	CAF	CAE	HAE	178.7°	180.0°
CAA	CAB	CAC	CAD	179.7°	180.0°
CAB	CAA	HAA1	HAA2	120.0°	120.0°
CAB	CAA	HAA1	HAA3	120.0°	120.0°
CAB	CAA	HAA2	HAA3	120.0°	120.1°
CAA	CAB	CAC	HAC	0.3°	0.1°
CAB	CAC	CAD	HAC	180.0°	179.9°
CAB	CAC	CAD	CAE	0.6°	0.1°
CAC	CAB	CAA	HAA1	90.0°	96.1°
CAC	CAB	CAA	HAA2	30.0°	23.8°
CAC	CAB	CAA	HAA3	150.0°	143.8°
CAB	CAC	CAD	HAD	179.4°	180.0°
CAC	CAD	CAE	HAD	180.0°	179.9°
CAC	CAD	CAE	CAF	0.2°	0.0°
CAC	CAD	CAE	HAE	179.8°	180.0°
CAD	CAE	CAF	HAE	180.0°	180.0°
CAD	CAE	CAF	CAL	179.7°	180.0°
CAE	CAD	CAC	HAC	179.4°	180.0°
CAE	CAF	CAL	OAM	2.2°	0.1°
CAE	CAF	CAL	NAK	178.6°	179.9°
CAF	CAE	CAD	HAD	179.8°	179.9°
CAF	CAL	OAM	NAK	179.2°	180.0°
CAF	CAL	NAK	CAJ	0.5°	0.2°
CAL	CAF	CAE	HAE	0.2°	0.0°
CAF	CAL	NAK	HAK	179.5°	179.9°
OAM	CAL	NAK	CAJ	179.7°	179.9°
OAM	CAL	NAK	HAK	0.2°	0.1°
CAL	NAK	CAJ	HAK	180.0°	180.0°
CAL	NAK	CAJ	CAN	179.6°	180.0°
NAK	CAJ	CAN	CAO	126.1°	123.8°
NAK	CAJ	CAN	CAS	51.2°	55.9°
CAJ	CAN	CAO	CAS	177.3°	179.7°
CAJ	CAN	CAO	CAP	177.9°	180.0°
CAJ	CAN	CAS	CAR	177.9°	179.7°
CAN	CAJ	NAK	HAK	0.4°	0.0°
CAJ	CAN	CAO	HAO	2.0°	0.0°
CAJ	CAN	CAS	HAS	2.1°	0.0°
CAN	CAO	CAP	HAO	180.0°	180.0°
CAN	CAO	CAP	CAQ	0.5°	0.1°
CAO	CAN	CAS	CAR	0.5°	0.6°
CAO	CAN	CAS	HAS	179.5°	179.7°
CAN	CAO	CAP	HAP	179.6°	180.0°
CAS	CAN	CAO	CAP	0.6°	0.3°
CAN	CAS	CAR	CAQ	0.2°	0.6°
CAN	CAS	CAR	HAS	180.0°	179.7°
CAS	CAN	CAO	HAO	179.4°	179.7°
CAN	CAS	CAR	HAR	179.8°	179.7°
CAO	CAP	CAQ	HAP	180.0°	179.9°
CAO	CAP	CAQ	CAR	0.1°	0.1°
CAO	CAP	CAQ	HAQ	179.9°	180.0°
CAP	CAQ	CAR	HAQ	180.0°	179.9°
CAP	CAQ	CAR	CAS	0.0°	0.3°
CAQ	CAP	CAO	HAO	179.5°	180.0°
CAP	CAQ	CAR	HAR	180.0°	180.0°
CAQ	CAR	CAS	HAR	180.0°	179.7°
CAQ	CAR	CAS	HAS	179.8°	179.7°
CAR	CAQ	CAP	HAP	179.9°	180.0°
CAS	CAR	CAQ	HAQ	180.0°	179.7°
HAI1	CAI	HAI2	HAI3	120.0°	120.0°
HAA1	CAA	HAA2	HAA3	120.0°	120.0°
HAC	CAC	CAD	HAD	0.6°	0.1°
HAD	CAD	CAE	HAE	0.1°	0.1°
HAO	CAO	CAP	HAP	0.4°	0.0°
HAS	CAS	CAR	HAR	0.2°	0.0°
HAP	CAP	CAQ	HAQ	0.1°	0.1°
HAQ	CAQ	CAR	HAR	0.0°	0.0°

Release date:	2015-07-29
Definition date:	2014-08-08
Last modified:	2015-07-24
Release status:	REL
Processing site:	EBI
Derived from:	4UVW