88X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAS	CAR	doub	0.00Å	1.39Å	Aromatic
CAS	CAT	sing	0.00Å	1.39Å	Aromatic
CAR	CAQ	sing	0.00Å	1.39Å	Aromatic
CAT	CAL	doub	0.00Å	1.39Å	Aromatic
CAQ	CAP	doub	0.00Å	1.39Å	Aromatic
CAO	CAN	sing	0.00Å	1.53Å
CAL	CAP	sing	0.00Å	1.39Å	Aromatic
CAL	CAK	sing	0.00Å	1.53Å
CAN	CAC	sing	0.00Å	1.53Å
CAK	OAM	doub	0.00Å	1.23Å
CAK	CAH	sing	0.00Å	1.53Å
CAG	CAH	doub	0.00Å	1.33Å
CAG	NAF	sing	0.00Å	1.33Å
CAH	NAI	sing	0.00Å	1.33Å
CAC	NAF	sing	0.00Å	1.41Å
CAC	CAB	doub	0.00Å	1.39Å
NAF	CAE	sing	0.00Å	1.40Å
NAI	CAE	sing	0.00Å	1.33Å
CAB	CAA	sing	0.00Å	1.39Å
CAE	NAD	doub	0.00Å	1.40Å
CAA	NAD	sing	0.00Å	1.40Å
CAA	OAJ	doub	0.00Å	1.23Å
CAB	HAB	sing	0.00Å	1.08Å
CAG	HAG	sing	0.00Å	1.08Å
NAI	HNAI	sing	0.00Å	1.00Å
CAN	H1AN	sing	0.00Å	1.10Å
CAN	H2AN	sing	0.00Å	1.10Å
CAO	H1AO	sing	0.00Å	1.10Å
CAO	H2AO	sing	0.00Å	1.10Å
CAO	H3AO	sing	0.00Å	1.10Å
CAP	HAP	sing	0.00Å	1.08Å
CAQ	HAQ	sing	0.00Å	1.08Å
CAR	HAR	sing	0.00Å	1.08Å
CAS	HAS	sing	0.00Å	1.08Å
CAT	HAT	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAR	CAS	CAT	120.0°	90.0°
CAS	CAR	CAQ	119.9°	90.0°
CAS	CAR	HAR	120.1°	90.0°
CAR	CAS	HAS	120.0°	90.0°
CAS	CAT	CAL	120.2°	90.0°
CAT	CAS	HAS	120.0°	90.0°
CAS	CAT	HAT	119.9°	90.0°
CAR	CAQ	CAP	120.0°	90.0°
CAR	CAQ	HAQ	120.0°	90.0°
CAQ	CAR	HAR	120.1°	90.0°
CAT	CAL	CAP	119.6°	90.0°
CAT	CAL	CAK	119.3°	90.0°
CAL	CAT	HAT	119.9°	90.0°
CAQ	CAP	CAL	120.3°	90.0°
CAQ	CAP	HAP	119.9°	90.0°
CAP	CAQ	HAQ	120.0°	90.0°
CAO	CAN	CAC	113.6°	90.0°
CAO	CAN	H1AN	108.1°	90.0°
CAO	CAN	H2AN	108.1°	90.0°
CAN	CAO	H1AO	109.5°	90.0°
CAN	CAO	H2AO	109.5°	90.0°
CAN	CAO	H3AO	109.5°	90.0°
CAP	CAL	CAK	121.0°	90.0°
CAL	CAP	HAP	119.8°	90.0°
CAL	CAK	OAM	119.6°	90.0°
CAL	CAK	CAH	121.3°	90.0°
CAN	CAC	NAF	122.2°	90.0°
CAN	CAC	CAB	118.0°	90.0°
CAC	CAN	H1AN	108.2°	90.0°
CAC	CAN	H2AN	108.1°	90.0°
OAM	CAK	CAH	119.1°	90.0°
CAK	CAH	CAG	125.5°	90.0°
CAK	CAH	NAI	123.6°	90.0°
CAH	CAG	NAF	107.7°	90.0°
CAG	CAH	NAI	110.9°	90.0°
CAH	CAG	HAG	126.1°	90.0°
CAG	NAF	CAC	133.4°	90.0°
CAG	NAF	CAE	106.6°	90.0°
NAF	CAG	HAG	126.2°	90.0°
CAH	NAI	CAE	106.9°	90.0°
CAH	NAI	HNAI	126.6°	90.0°
NAF	CAC	CAB	119.9°	90.0°
CAC	NAF	CAE	120.0°	90.0°
CAC	CAB	CAA	120.3°	90.0°
CAC	CAB	HAB	119.9°	90.0°
NAF	CAE	NAI	108.0°	90.0°
NAF	CAE	NAD	119.7°	90.0°
NAI	CAE	NAD	132.3°	90.0°
CAE	NAI	HNAI	126.6°	90.0°
CAB	CAA	NAD	120.3°	90.0°
CAB	CAA	OAJ	120.0°	90.0°
CAA	CAB	HAB	119.8°	90.0°
CAE	NAD	CAA	119.8°	90.0°
NAD	CAA	OAJ	119.7°	90.0°
H1AN	CAN	H2AN	110.8°	90.0°
H1AO	CAO	H2AO	109.5°	90.0°
H1AO	CAO	H3AO	109.4°	90.0°
H2AO	CAO	H3AO	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAR	CAS	CAT	HAS	180.0°	90.0°
CAS	CAR	CAQ	HAR	180.0°	90.0°
CAR	CAS	CAT	CAL	0.1°	90.0°
CAS	CAR	CAQ	CAP	0.0°	90.0°
CAS	CAR	CAQ	HAQ	180.0°	90.0°
CAR	CAS	CAT	HAT	179.9°	90.0°
CAT	CAS	CAR	CAQ	0.0°	90.0°
CAS	CAT	CAL	HAT	180.0°	90.0°
CAS	CAT	CAL	CAP	0.0°	90.0°
CAS	CAT	CAL	CAK	177.6°	90.0°
CAT	CAS	CAR	HAR	179.9°	90.0°
CAR	CAQ	CAP	HAQ	180.0°	90.0°
CAR	CAQ	CAP	CAL	0.0°	90.0°
CAR	CAQ	CAP	HAP	179.9°	90.0°
CAQ	CAR	CAS	HAS	180.0°	90.0°
CAT	CAL	CAP	CAQ	0.0°	90.0°
CAT	CAL	CAP	CAK	177.6°	90.0°
CAT	CAL	CAK	OAM	24.9°	90.0°
CAT	CAL	CAK	CAH	155.1°	90.0°
CAT	CAL	CAP	HAP	180.0°	90.0°
CAL	CAT	CAS	HAS	180.0°	90.0°
CAQ	CAP	CAL	HAP	180.0°	90.0°
CAQ	CAP	CAL	CAK	177.5°	90.0°
CAP	CAQ	CAR	HAR	180.0°	90.0°
CAO	CAN	CAC	H1AN	120.0°	90.0°
CAO	CAN	CAC	H2AN	120.0°	90.0°
CAO	CAN	CAC	NAF	16.0°	90.0°
CAO	CAN	CAC	CAB	165.0°	90.0°
CAO	CAN	H1AN	H2AN	118.3°	90.0°
CAN	CAO	H1AO	H2AO	120.0°	90.0°
CAN	CAO	H1AO	H3AO	120.0°	90.0°
CAN	CAO	H2AO	H3AO	120.0°	90.0°
CAP	CAL	CAK	OAM	152.7°	90.0°
CAP	CAL	CAK	CAH	27.3°	90.0°
CAL	CAP	CAQ	HAQ	180.0°	90.0°
CAP	CAL	CAT	HAT	180.0°	90.0°
CAL	CAK	OAM	CAH	179.9°	90.0°
CAL	CAK	CAH	CAG	17.4°	90.0°
CAL	CAK	CAH	NAI	166.2°	90.0°
CAK	CAL	CAP	HAP	2.5°	90.0°
CAK	CAL	CAT	HAT	2.4°	90.0°
CAN	CAC	NAF	CAG	2.4°	90.0°
CAN	CAC	NAF	CAB	179.0°	90.0°
CAN	CAC	NAF	CAE	178.8°	90.0°
CAN	CAC	CAB	CAA	178.9°	90.0°
CAN	CAC	CAB	HAB	1.1°	90.0°
CAC	CAN	H1AN	H2AN	118.4°	90.0°
CAC	CAN	CAO	H1AO	180.0°	90.0°
CAC	CAN	CAO	H2AO	60.0°	90.0°
CAC	CAN	CAO	H3AO	60.0°	90.0°
OAM	CAK	CAH	CAG	162.6°	90.0°
OAM	CAK	CAH	NAI	13.7°	90.0°
CAK	CAH	CAG	NAI	176.8°	90.0°
CAK	CAH	CAG	NAF	176.5°	90.0°
CAK	CAH	NAI	CAE	176.6°	90.0°
CAK	CAH	CAG	HAG	3.5°	90.0°
CAK	CAH	NAI	HNAI	3.4°	90.0°
CAH	CAG	NAF	HAG	180.0°	90.0°
CAH	CAG	NAF	CAC	178.7°	90.0°
CAH	CAG	NAF	CAE	0.2°	90.0°
CAG	CAH	NAI	CAE	0.2°	90.0°
CAG	CAH	NAI	HNAI	179.8°	90.0°
NAF	CAG	CAH	NAI	0.3°	90.0°
CAG	NAF	CAC	CAE	178.8°	90.0°
CAG	NAF	CAC	CAB	178.6°	90.0°
CAG	NAF	CAE	NAI	0.0°	90.0°
CAG	NAF	CAE	NAD	179.0°	90.0°
CAH	NAI	CAE	NAF	0.1°	90.0°
CAH	NAI	CAE	HNAI	180.0°	90.0°
CAH	NAI	CAE	NAD	178.7°	90.0°
NAI	CAH	CAG	HAG	179.7°	90.0°
CAC	NAF	CAE	NAI	179.0°	90.0°
NAF	CAC	CAB	CAA	0.1°	90.0°
CAC	NAF	CAE	NAD	0.1°	90.0°
NAF	CAC	CAB	HAB	179.9°	90.0°
CAC	NAF	CAG	HAG	1.3°	90.0°
NAF	CAC	CAN	H1AN	136.0°	90.0°
NAF	CAC	CAN	H2AN	104.0°	90.0°
CAB	CAC	NAF	CAE	0.1°	90.0°
CAC	CAB	CAA	HAB	180.0°	90.0°
CAC	CAB	CAA	NAD	0.0°	90.0°
CAC	CAB	CAA	OAJ	179.8°	90.0°
CAB	CAC	CAN	H1AN	45.0°	90.0°
CAB	CAC	CAN	H2AN	75.0°	90.0°
NAF	CAE	NAI	NAD	178.8°	90.0°
NAF	CAE	NAD	CAA	0.1°	90.0°
CAE	NAF	CAG	HAG	179.8°	90.0°
NAF	CAE	NAI	HNAI	179.9°	90.0°
NAI	CAE	NAD	CAA	178.6°	90.0°
CAB	CAA	NAD	CAE	0.1°	90.0°
CAB	CAA	NAD	OAJ	179.8°	90.0°
CAE	NAD	CAA	OAJ	179.7°	90.0°
NAD	CAE	NAI	HNAI	1.3°	90.0°
NAD	CAA	CAB	HAB	180.0°	90.0°
OAJ	CAA	CAB	HAB	0.2°	90.0°
H1AN	CAN	CAO	H1AO	60.0°	90.0°
H1AN	CAN	CAO	H2AO	60.0°	90.0°
H1AN	CAN	CAO	H3AO	180.0°	90.0°
H2AN	CAN	CAO	H1AO	60.0°	90.0°
H2AN	CAN	CAO	H2AO	180.0°	90.0°
H2AN	CAN	CAO	H3AO	60.0°	90.0°
H1AO	CAO	H2AO	H3AO	120.0°	90.0°
HAP	CAP	CAQ	HAQ	0.0°	90.0°
HAQ	CAQ	CAR	HAR	0.1°	90.0°
HAR	CAR	CAS	HAS	0.1°	90.0°
HAS	CAS	CAT	HAT	0.1°	90.0°

Definition date:	2010-01-06
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	3L5S