0QX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAL	CAH	sing	1.37Å	1.37Å	Aromatic
NAL	CAQ	sing	1.38Å	1.38Å	Aromatic
CAH	CAN	doub	1.34Å	1.37Å	Aromatic
CAD	CAQ	doub	1.39Å	1.42Å	Aromatic
CAD	CAA	sing	1.38Å	1.40Å	Aromatic
CAQ	CAS	sing	1.41Å	1.43Å	Aromatic
CAN	CAS	sing	1.46Å	1.44Å	Aromatic
CAN	CAI	sing	1.51Å	1.58Å
CAA	CAB	doub	1.39Å	1.46Å	Aromatic
CAS	CAE	doub	1.40Å	1.43Å	Aromatic
CAI	CAO	sing	1.51Å	1.50Å
CAE	CAB	sing	1.37Å	1.45Å	Aromatic
NAM	CAO	sing	1.36Å	1.34Å	Aromatic
NAM	CAR	sing	1.37Å	1.31Å	Aromatic
CAO	NAK	doub	1.30Å	1.33Å	Aromatic
CAR	CAF	doub	1.39Å	1.43Å	Aromatic
CAR	CAP	sing	1.41Å	1.38Å	Aromatic
NAK	CAP	sing	1.36Å	1.35Å	Aromatic
CAF	CAC	sing	1.38Å	1.39Å	Aromatic
CAP	CAG	doub	1.39Å	1.43Å	Aromatic
CAC	NAJ	doub	1.32Å	1.36Å	Aromatic
CAG	NAJ	sing	1.32Å	1.38Å	Aromatic
CAE	H1	sing	1.08Å	1.08Å
CAB	H2	sing	1.08Å	1.08Å
CAA	H3	sing	1.08Å	1.08Å
CAD	H4	sing	1.08Å	1.08Å
NAL	H5	sing	0.97Å	1.00Å
CAH	H6	sing	1.08Å	1.08Å
CAI	H7	sing	1.09Å	1.10Å
CAI	H8	sing	1.09Å	1.10Å
NAM	H9	sing	0.97Å	1.00Å
CAF	H10	sing	1.08Å	1.08Å
CAC	H11	sing	1.08Å	1.08Å
CAG	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAH	NAL	CAQ	108.0°	109.8°
NAL	CAH	CAN	112.0°	109.9°
CAH	NAL	H5	126.0°	125.1°
NAL	CAH	H6	124.0°	125.1°
NAL	CAQ	CAD	131.8°	133.5°
NAL	CAQ	CAS	107.3°	107.2°
CAQ	NAL	H5	126.0°	125.0°
CAH	CAN	CAS	105.4°	107.0°
CAH	CAN	CAI	130.8°	126.5°
CAN	CAH	H6	124.0°	125.0°
CAQ	CAD	CAA	117.3°	119.8°
CAD	CAQ	CAS	120.7°	119.3°
CAQ	CAD	H4	121.3°	120.1°
CAD	CAA	CAB	126.7°	120.7°
CAD	CAA	H3	116.7°	119.7°
CAA	CAD	H4	121.4°	120.1°
CAQ	CAS	CAN	107.1°	106.0°
CAQ	CAS	CAE	119.4°	119.9°
CAS	CAN	CAI	123.6°	126.5°
CAN	CAS	CAE	133.3°	134.0°
CAN	CAI	CAO	108.9°	109.5°
CAN	CAI	H7	109.6°	109.5°
CAN	CAI	H8	109.6°	109.5°
CAA	CAB	CAE	112.6°	120.5°
CAA	CAB	H2	123.7°	119.7°
CAB	CAA	H3	116.6°	119.7°
CAS	CAE	CAB	123.2°	119.8°
CAS	CAE	H1	118.4°	120.2°
CAI	CAO	NAM	124.9°	125.0°
CAI	CAO	NAK	124.7°	125.0°
CAO	CAI	H7	109.6°	109.5°
CAO	CAI	H8	109.6°	109.5°
CAB	CAE	H1	118.4°	120.1°
CAE	CAB	H2	123.7°	119.8°
CAO	NAM	CAR	108.0°	107.4°
NAM	CAO	NAK	110.2°	110.1°
CAO	NAM	H9	126.0°	126.4°
NAM	CAR	CAF	130.5°	135.3°
NAM	CAR	CAP	108.0°	106.1°
CAR	NAM	H9	126.0°	126.3°
CAO	NAK	CAP	106.6°	109.7°
CAF	CAR	CAP	121.5°	118.6°
CAR	CAF	CAC	116.9°	118.8°
CAR	CAF	H10	121.6°	120.6°
CAR	CAP	NAK	107.0°	106.8°
CAR	CAP	CAG	118.6°	118.7°
NAK	CAP	CAG	134.3°	134.5°
CAF	CAC	NAJ	122.0°	121.2°
CAC	CAF	H10	121.5°	120.6°
CAF	CAC	H11	119.0°	119.4°
CAP	CAG	NAJ	119.3°	120.3°
CAP	CAG	H12	120.4°	119.9°
CAC	NAJ	CAG	121.5°	122.4°
NAJ	CAC	H11	119.0°	119.4°
NAJ	CAG	H12	120.3°	119.8°
H7	CAI	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAH	NAL	CAQ	H5	180.0°	179.8°
NAL	CAH	CAN	H6	180.0°	179.8°
CAH	NAL	CAQ	CAD	178.8°	180.0°
CAH	NAL	CAQ	CAS	3.4°	0.1°
NAL	CAH	CAN	CAS	2.2°	0.3°
NAL	CAH	CAN	CAI	176.9°	180.0°
CAQ	NAL	CAH	CAN	0.8°	0.2°
NAL	CAQ	CAD	CAS	174.8°	179.9°
NAL	CAQ	CAD	CAA	177.4°	180.0°
NAL	CAQ	CAS	CAN	4.7°	0.2°
NAL	CAQ	CAS	CAE	178.7°	180.0°
NAL	CAQ	CAD	H4	2.6°	0.1°
CAQ	NAL	CAH	H6	179.2°	180.0°
CAH	CAN	CAS	CAQ	4.2°	0.4°
CAH	CAN	CAS	CAI	175.2°	179.7°
CAH	CAN	CAS	CAE	180.0°	179.9°
CAH	CAN	CAI	CAO	88.1°	95.0°
CAN	CAH	NAL	H5	179.2°	180.0°
CAH	CAN	CAI	H7	31.8°	24.9°
CAH	CAN	CAI	H8	152.0°	145.0°
CAQ	CAD	CAA	H4	180.0°	179.9°
CAD	CAQ	CAS	CAN	179.3°	179.8°
CAQ	CAD	CAA	CAB	1.6°	0.0°
CAD	CAQ	CAS	CAE	2.8°	0.0°
CAQ	CAD	CAA	H3	178.5°	179.9°
CAD	CAQ	NAL	H5	1.2°	0.2°
CAA	CAD	CAQ	CAS	2.5°	0.1°
CAD	CAA	CAB	H3	180.0°	180.0°
CAD	CAA	CAB	CAE	0.7°	0.0°
CAD	CAA	CAB	H2	179.3°	180.0°
CAQ	CAS	CAN	CAE	175.9°	179.7°
CAQ	CAS	CAN	CAI	179.4°	180.0°
CAQ	CAS	CAE	CAB	1.9°	0.0°
CAQ	CAS	CAE	H1	178.1°	179.9°
CAS	CAQ	CAD	H4	177.5°	180.0°
CAS	CAQ	NAL	H5	176.6°	179.8°
CAS	CAN	CAI	CAO	85.8°	84.6°
CAN	CAS	CAE	CAB	177.4°	179.7°
CAN	CAS	CAE	H1	2.6°	0.4°
CAS	CAN	CAH	H6	177.8°	179.9°
CAS	CAN	CAI	H7	154.3°	155.5°
CAS	CAN	CAI	H8	34.1°	35.4°
CAI	CAN	CAS	CAE	4.7°	0.2°
CAN	CAI	CAO	H7	119.9°	120.0°
CAN	CAI	CAO	H8	119.9°	120.0°
CAN	CAI	CAO	NAM	72.6°	125.3°
CAN	CAI	CAO	NAK	102.0°	55.0°
CAI	CAN	CAH	H6	3.1°	0.2°
CAN	CAI	H7	H8	120.3°	120.0°
CAA	CAB	CAE	CAS	0.8°	0.0°
CAA	CAB	CAE	H2	180.0°	180.0°
CAA	CAB	CAE	H1	179.1°	179.9°
CAB	CAA	CAD	H4	178.4°	179.9°
CAS	CAE	CAB	H1	180.0°	179.9°
CAS	CAE	CAB	H2	179.2°	180.0°
CAI	CAO	NAM	NAK	175.3°	179.7°
CAI	CAO	NAM	CAR	177.9°	180.0°
CAI	CAO	NAK	CAP	178.6°	179.9°
CAO	CAI	H7	H8	120.3°	120.0°
CAI	CAO	NAM	H9	2.0°	0.1°
CAE	CAB	CAA	H3	179.3°	180.0°
CAO	NAM	CAR	H9	180.0°	179.9°
CAO	NAM	CAR	CAF	179.9°	180.0°
CAO	NAM	CAR	CAP	0.9°	0.0°
NAM	CAO	NAK	CAP	3.3°	0.4°
NAM	CAO	CAI	H7	47.3°	5.3°
NAM	CAO	CAI	H8	167.5°	114.7°
CAR	NAM	CAO	NAK	2.7°	0.2°
NAM	CAR	CAF	CAP	179.0°	179.9°
NAM	CAR	CAP	NAK	1.1°	0.2°
NAM	CAR	CAF	CAC	179.0°	180.0°
NAM	CAR	CAP	CAG	178.5°	179.9°
NAM	CAR	CAF	H10	1.0°	0.1°
CAO	NAK	CAP	CAR	2.6°	0.4°
CAO	NAK	CAP	CAG	176.9°	180.0°
NAK	CAO	CAI	H7	138.1°	175.0°
NAK	CAO	CAI	H8	18.0°	65.0°
NAK	CAO	NAM	H9	177.3°	179.8°
CAF	CAR	CAP	NAK	178.1°	179.7°
CAR	CAF	CAC	H10	180.0°	179.9°
CAF	CAR	CAP	CAG	2.3°	0.0°
CAR	CAF	CAC	NAJ	1.8°	0.0°
CAF	CAR	NAM	H9	0.1°	0.1°
CAR	CAF	CAC	H11	178.2°	180.0°
CAR	CAP	NAK	CAG	179.5°	179.7°
CAP	CAR	CAF	CAC	0.0°	0.0°
CAR	CAP	CAG	NAJ	2.9°	0.0°
CAP	CAR	NAM	H9	179.0°	179.9°
CAP	CAR	CAF	H10	179.9°	179.9°
CAR	CAP	CAG	H12	177.1°	179.9°
NAK	CAP	CAG	NAJ	177.6°	179.7°
NAK	CAP	CAG	H12	2.3°	0.4°
CAF	CAC	NAJ	H11	180.0°	180.0°
CAF	CAC	NAJ	CAG	1.1°	0.0°
CAP	CAG	NAJ	CAC	1.3°	0.0°
CAP	CAG	NAJ	H12	180.0°	179.9°
NAJ	CAC	CAF	H10	178.2°	179.9°
CAC	NAJ	CAG	H12	178.8°	179.9°
CAG	NAJ	CAC	H11	178.8°	180.0°
H1	CAE	CAB	H2	0.9°	0.0°
H2	CAB	CAA	H3	0.7°	0.1°
H3	CAA	CAD	H4	1.5°	0.0°
H5	NAL	CAH	H6	0.8°	0.2°
H10	CAF	CAC	H11	1.8°	0.1°

Definition date:	2012-04-18
Last modified:	2012-05-18
Release status:	REL
Processing site:	RCSB
Derived from:	4EPV