UPX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OBB	NAB	sing	1.32Å	1.41Å
NAB	OBC	doub	1.32Å	1.39Å
NAB	CAJ	sing	1.48Å	1.33Å
CAJ	CAI	sing	1.38Å	1.40Å	Aromatic
CAJ	CAK	doub	1.39Å	1.39Å	Aromatic
CAI	CAH	doub	1.39Å	1.40Å	Aromatic
CAH	CAM	sing	1.36Å	1.39Å	Aromatic
CAM	CAL	doub	1.40Å	1.40Å	Aromatic
CAL	CAO	sing	1.41Å	1.34Å	Aromatic
CAL	CAK	sing	1.41Å	1.39Å	Aromatic
CAO	CAN	doub	1.36Å	1.34Å	Aromatic
CAK	NAA	sing	1.37Å	1.32Å	Aromatic
NAA	CAN	sing	1.38Å	1.32Å	Aromatic
CAN	CAP	sing	1.47Å	1.54Å
CAP	OBD	doub	1.22Å	1.24Å
CAP	NAC	sing	1.35Å	1.35Å
NAC	CAQ	sing	1.38Å	1.35Å
CAQ	CAV	sing	1.40Å	1.40Å	Aromatic
CAQ	CAR	doub	1.40Å	1.38Å	Aromatic
CAV	CAU	doub	1.36Å	1.39Å	Aromatic
CAU	CAT	sing	1.41Å	1.40Å	Aromatic
CAR	CAS	sing	1.36Å	1.40Å	Aromatic
CAS	CAT	doub	1.41Å	1.40Å	Aromatic
CAT	CAW	sing	1.41Å	1.40Å
CAW	CAX	sing	1.51Å	1.54Å
CAW	NAD	doub	1.33Å	1.34Å
NAD	NAE	sing	1.29Å	1.25Å
NAE	CAY	sing	1.35Å	1.35Å
CAY	NAF	sing	1.37Å	1.34Å	Aromatic
CAY	NAG	doub	1.33Å	1.33Å	Aromatic
NAF	CAZ	sing	1.35Å	1.46Å	Aromatic
CAZ	CBA	doub	1.39Å	1.51Å	Aromatic
CBA	NAG	sing	1.32Å	1.46Å	Aromatic
CAI	HAI	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
CAM	HAM	sing	1.08Å	1.08Å
CAO	HAO	sing	1.08Å	1.08Å
NAA	HAA	sing	0.97Å	1.00Å
NAC	HAC	sing	0.97Å	1.00Å
CAV	HAV	sing	1.08Å	1.08Å
CAR	HAR	sing	1.08Å	1.08Å
CAU	HAU	sing	1.08Å	1.08Å
CAS	HAS	sing	1.08Å	1.08Å
CAX	HAX1	sing	1.09Å	1.10Å
CAX	HAX2	sing	1.09Å	1.10Å
CAX	HAX3	sing	1.09Å	1.10Å
NAE	HAE	sing	0.97Å	1.00Å
NAF	HAF	sing	0.97Å	1.00Å
CAZ	HAZ	sing	1.08Å	1.08Å
CBA	HBA	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OBB	NAB	OBC	116.6°	120.0°
OBB	NAB	CAJ	122.0°	120.0°
OBC	NAB	CAJ	121.3°	120.0°
NAB	CAJ	CAI	121.9°	120.1°
NAB	CAJ	CAK	118.7°	120.1°
CAI	CAJ	CAK	119.4°	119.9°
CAJ	CAI	CAH	119.4°	120.6°
CAJ	CAI	HAI	120.3°	119.7°
CAJ	CAK	CAL	121.6°	119.4°
CAJ	CAK	NAA	130.7°	133.2°
CAI	CAH	CAM	120.7°	120.6°
CAH	CAI	HAI	120.3°	119.7°
CAI	CAH	HAH	119.7°	119.7°
CAH	CAM	CAL	120.0°	119.9°
CAM	CAH	HAH	119.7°	119.7°
CAH	CAM	HAM	120.0°	120.1°
CAM	CAL	CAO	133.8°	133.4°
CAM	CAL	CAK	119.0°	119.6°
CAL	CAM	HAM	120.0°	120.0°
CAO	CAL	CAK	107.2°	107.0°
CAL	CAO	CAN	106.5°	107.8°
CAL	CAO	HAO	126.8°	126.1°
CAL	CAK	NAA	107.8°	107.4°
CAO	CAN	NAA	110.5°	109.1°
CAO	CAN	CAP	129.2°	125.4°
CAN	CAO	HAO	126.7°	126.1°
CAK	NAA	CAN	108.0°	108.8°
CAK	NAA	HAA	126.0°	125.6°
NAA	CAN	CAP	120.3°	125.5°
CAN	NAA	HAA	126.0°	125.6°
CAN	CAP	OBD	117.8°	120.0°
CAN	CAP	NAC	116.1°	120.0°
OBD	CAP	NAC	126.2°	119.9°
CAP	NAC	CAQ	127.0°	120.1°
CAP	NAC	HAC	116.5°	119.9°
NAC	CAQ	CAV	118.2°	119.8°
NAC	CAQ	CAR	123.8°	119.8°
CAQ	NAC	HAC	116.5°	120.0°
CAV	CAQ	CAR	117.9°	120.4°
CAQ	CAV	CAU	122.4°	120.2°
CAQ	CAV	HAV	118.8°	120.0°
CAQ	CAR	CAS	120.3°	120.1°
CAQ	CAR	HAR	119.9°	120.0°
CAV	CAU	CAT	119.7°	119.8°
CAU	CAV	HAV	118.8°	119.9°
CAV	CAU	HAU	120.1°	120.1°
CAU	CAT	CAS	117.8°	119.7°
CAU	CAT	CAW	120.8°	120.1°
CAT	CAU	HAU	120.1°	120.1°
CAR	CAS	CAT	121.9°	119.8°
CAS	CAR	HAR	119.9°	119.9°
CAR	CAS	HAS	119.0°	120.1°
CAS	CAT	CAW	121.4°	120.1°
CAT	CAS	HAS	119.1°	120.1°
CAT	CAW	CAX	121.7°	120.0°
CAT	CAW	NAD	118.9°	120.0°
CAX	CAW	NAD	119.4°	120.0°
CAW	CAX	HAX1	109.5°	109.4°
CAW	CAX	HAX2	109.4°	109.5°
CAW	CAX	HAX3	109.5°	109.5°
CAW	NAD	NAE	124.6°	120.0°
NAD	NAE	CAY	119.4°	120.0°
NAD	NAE	HAE	120.3°	120.0°
NAE	CAY	NAF	125.5°	125.7°
NAE	CAY	NAG	123.4°	125.7°
CAY	NAE	HAE	120.3°	120.0°
NAF	CAY	NAG	111.0°	108.6°
CAY	NAF	CAZ	111.1°	107.2°
CAY	NAF	HAF	124.5°	126.4°
CAY	NAG	CBA	110.7°	109.2°
NAF	CAZ	CBA	103.4°	106.9°
CAZ	NAF	HAF	124.5°	126.4°
NAF	CAZ	HAZ	128.3°	126.5°
CAZ	CBA	NAG	103.7°	108.1°
CBA	CAZ	HAZ	128.3°	126.6°
CAZ	CBA	HBA	128.2°	126.0°
NAG	CBA	HBA	128.1°	126.0°
HAX1	CAX	HAX2	109.5°	109.4°
HAX1	CAX	HAX3	109.5°	109.4°
HAX2	CAX	HAX3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OBB	NAB	OBC	CAJ	177.1°	179.7°
OBB	NAB	CAJ	CAI	179.1°	0.0°
OBB	NAB	CAJ	CAK	0.2°	179.7°
OBC	NAB	CAJ	CAI	2.2°	179.7°
OBC	NAB	CAJ	CAK	177.1°	0.6°
NAB	CAJ	CAI	CAK	179.3°	179.7°
NAB	CAJ	CAI	CAH	179.9°	180.0°
NAB	CAJ	CAK	CAL	180.0°	179.7°
NAB	CAJ	CAK	NAA	0.0°	0.1°
NAB	CAJ	CAI	HAI	0.1°	0.0°
CAJ	CAI	CAH	HAI	180.0°	180.0°
CAJ	CAI	CAH	CAM	0.1°	0.0°
CAI	CAJ	CAK	CAL	0.6°	0.5°
CAI	CAJ	CAK	NAA	179.3°	179.8°
CAJ	CAI	CAH	HAH	179.9°	180.0°
CAK	CAJ	CAI	CAH	0.6°	0.3°
CAJ	CAK	CAL	CAM	0.1°	0.5°
CAJ	CAK	CAL	CAO	180.0°	179.7°
CAJ	CAK	CAL	NAA	179.9°	179.8°
CAJ	CAK	NAA	CAN	180.0°	179.4°
CAK	CAJ	CAI	HAI	179.4°	179.8°
CAJ	CAK	NAA	HAA	0.0°	0.1°
CAI	CAH	CAM	HAH	180.0°	180.0°
CAI	CAH	CAM	CAL	0.4°	0.0°
CAI	CAH	CAM	HAM	179.6°	180.0°
CAH	CAM	CAL	HAM	180.0°	180.0°
CAH	CAM	CAL	CAO	179.4°	180.0°
CAH	CAM	CAL	CAK	0.4°	0.3°
CAM	CAH	CAI	HAI	180.0°	180.0°
CAM	CAL	CAO	CAK	179.8°	179.8°
CAM	CAL	CAO	CAN	179.8°	180.0°
CAM	CAL	CAK	NAA	179.8°	179.7°
CAL	CAM	CAH	HAH	179.6°	180.0°
CAM	CAL	CAO	HAO	0.2°	0.0°
CAL	CAO	CAN	HAO	180.0°	180.0°
CAO	CAL	CAK	NAA	0.0°	0.1°
CAL	CAO	CAN	NAA	0.0°	0.4°
CAL	CAO	CAN	CAP	179.3°	180.0°
CAO	CAL	CAM	HAM	0.6°	0.0°
CAK	CAL	CAO	CAN	0.1°	0.2°
CAL	CAK	NAA	CAN	0.0°	0.3°
CAK	CAL	CAM	HAM	179.6°	179.7°
CAK	CAL	CAO	HAO	180.0°	179.8°
CAL	CAK	NAA	HAA	179.9°	179.8°
CAO	CAN	NAA	CAK	0.0°	0.5°
CAO	CAN	NAA	CAP	179.4°	179.6°
CAO	CAN	CAP	OBD	176.9°	0.0°
CAO	CAN	CAP	NAC	3.2°	179.9°
CAO	CAN	NAA	HAA	180.0°	180.0°
CAK	NAA	CAN	HAA	180.0°	179.5°
CAK	NAA	CAN	CAP	179.4°	179.9°
NAA	CAN	CAP	OBD	2.4°	179.5°
NAA	CAN	CAP	NAC	177.5°	0.5°
NAA	CAN	CAO	HAO	180.0°	179.6°
CAN	CAP	OBD	NAC	179.9°	180.0°
CAN	CAP	NAC	CAQ	176.1°	174.7°
CAP	CAN	CAO	HAO	0.7°	0.0°
CAP	CAN	NAA	HAA	0.6°	0.4°
CAN	CAP	NAC	HAC	3.9°	5.3°
OBD	CAP	NAC	CAQ	4.0°	5.3°
OBD	CAP	NAC	HAC	176.0°	174.8°
CAP	NAC	CAQ	HAC	180.0°	179.9°
CAP	NAC	CAQ	CAV	175.3°	146.2°
CAP	NAC	CAQ	CAR	2.4°	34.0°
NAC	CAQ	CAV	CAR	177.8°	179.8°
NAC	CAQ	CAV	CAU	178.2°	179.9°
NAC	CAQ	CAR	CAS	178.2°	179.9°
NAC	CAQ	CAV	HAV	1.8°	0.0°
NAC	CAQ	CAR	HAR	1.7°	0.0°
CAQ	CAV	CAU	HAV	180.0°	179.9°
CAQ	CAV	CAU	CAT	0.4°	0.1°
CAV	CAQ	CAR	CAS	0.5°	0.3°
CAV	CAQ	NAC	HAC	4.7°	33.9°
CAV	CAQ	CAR	HAR	179.4°	179.8°
CAQ	CAV	CAU	HAU	179.5°	180.0°
CAR	CAQ	CAV	CAU	0.4°	0.3°
CAQ	CAR	CAS	HAR	180.0°	180.0°
CAQ	CAR	CAS	CAT	0.0°	0.0°
CAR	CAQ	NAC	HAC	177.6°	145.9°
CAR	CAQ	CAV	HAV	179.6°	179.8°
CAQ	CAR	CAS	HAS	180.0°	180.0°
CAV	CAU	CAT	HAU	180.0°	179.9°
CAV	CAU	CAT	CAS	1.0°	0.2°
CAV	CAU	CAT	CAW	179.8°	180.0°
CAU	CAT	CAS	CAR	0.8°	0.2°
CAU	CAT	CAS	CAW	179.2°	179.8°
CAU	CAT	CAW	CAX	158.1°	180.0°
CAU	CAT	CAW	NAD	24.2°	0.1°
CAT	CAU	CAV	HAV	179.6°	180.0°
CAU	CAT	CAS	HAS	179.2°	179.8°
CAR	CAS	CAT	HAS	180.0°	180.0°
CAR	CAS	CAT	CAW	179.9°	180.0°
CAS	CAT	CAW	CAX	22.7°	0.2°
CAS	CAT	CAW	NAD	155.1°	179.7°
CAT	CAS	CAR	HAR	180.0°	180.0°
CAS	CAT	CAU	HAU	179.0°	179.7°
CAT	CAW	CAX	NAD	177.7°	179.9°
CAT	CAW	NAD	NAE	178.4°	180.0°
CAW	CAT	CAU	HAU	0.3°	0.1°
CAW	CAT	CAS	HAS	0.1°	0.0°
CAT	CAW	CAX	HAX1	180.0°	90.1°
CAT	CAW	CAX	HAX2	60.0°	150.0°
CAT	CAW	CAX	HAX3	60.0°	29.9°
CAX	CAW	NAD	NAE	3.8°	0.1°
CAW	CAX	HAX1	HAX2	120.0°	120.0°
CAW	CAX	HAX1	HAX3	120.0°	120.0°
CAW	CAX	HAX2	HAX3	120.0°	120.1°
CAW	NAD	NAE	CAY	178.9°	179.9°
NAD	CAW	CAX	HAX1	2.2°	90.0°
NAD	CAW	CAX	HAX2	122.3°	29.9°
NAD	CAW	CAX	HAX3	117.8°	150.0°
CAW	NAD	NAE	HAE	1.1°	0.1°
NAD	NAE	CAY	HAE	180.0°	180.0°
NAD	NAE	CAY	NAF	177.6°	180.0°
NAD	NAE	CAY	NAG	0.4°	0.3°
NAE	CAY	NAF	NAG	178.2°	179.8°
NAE	CAY	NAF	CAZ	178.7°	180.0°
NAE	CAY	NAG	CBA	178.2°	179.8°
NAE	CAY	NAF	HAF	1.3°	0.0°
CAY	NAF	CAZ	HAF	180.0°	179.9°
CAY	NAF	CAZ	CBA	1.3°	0.0°
NAF	CAY	NAG	CBA	3.6°	0.4°
NAF	CAY	NAE	HAE	2.4°	0.0°
CAY	NAF	CAZ	HAZ	178.7°	180.0°
NAG	CAY	NAF	CAZ	3.1°	0.3°
CAY	NAG	CBA	CAZ	2.6°	0.4°
NAG	CAY	NAE	HAE	179.6°	179.7°
NAG	CAY	NAF	HAF	176.9°	179.8°
CAY	NAG	CBA	HBA	177.4°	179.8°
NAF	CAZ	CBA	HAZ	180.0°	179.9°
NAF	CAZ	CBA	NAG	0.7°	0.2°
NAF	CAZ	CBA	HBA	179.3°	180.0°
CAZ	CBA	NAG	HBA	180.0°	179.8°
CBA	CAZ	NAF	HAF	178.7°	180.0°
NAG	CBA	CAZ	HAZ	179.3°	179.7°
HAI	CAI	CAH	HAH	0.0°	0.0°
HAH	CAH	CAM	HAM	0.4°	0.0°
HAV	CAV	CAU	HAU	0.5°	0.1°
HAR	CAR	CAS	HAS	0.0°	0.0°
HAX1	CAX	HAX2	HAX3	120.0°	120.0°
HAF	NAF	CAZ	HAZ	1.3°	0.1°
HAZ	CAZ	CBA	HBA	0.8°	0.1°

Definition date:	2011-03-16
Last modified:	2011-11-11
Release status:	REL
Processing site:	EBI
Derived from:	2YCQ