HQP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAL	CAM	sing	1.50Å	1.54Å
CAL	CBB	sing	1.51Å	1.54Å
CAL	HAL1	sing	1.08Å	1.11Å
CAL	HAL2	sing	1.08Å	1.12Å
CAM	CBB	sing	1.51Å	1.53Å
CAM	HAM1	sing	1.08Å	1.12Å
CAM	HAM2	sing	1.08Å	1.12Å
CBB	CAX	sing	1.52Å	1.54Å
CBB	HBB	sing	1.09Å	1.11Å
CAX	CAK	doub	1.37Å	1.34Å	Aromatic
CAX	NAS	sing	1.36Å	1.33Å	Aromatic
CAK	CAV	sing	1.38Å	1.34Å	Aromatic
CAK	HAK	sing	1.08Å	1.10Å
NAS	NAN	sing	1.34Å	1.22Å	Aromatic
NAS	HAS	sing	1.01Å	1.02Å
NAN	CAV	doub	1.31Å	1.33Å	Aromatic
CAV	NAR	sing	1.40Å	1.35Å
NAR	C6	sing	1.42Å	1.35Å
NAR	HAR	sing	1.01Å	1.02Å
C6	N1	doub	1.35Å	1.34Å	Aromatic
C6	C5	sing	1.39Å	1.41Å	Aromatic
N1	C2	sing	1.34Å	1.35Å	Aromatic
C5	CAJ	doub	1.41Å	1.39Å	Aromatic
C5	C4	sing	1.40Å	1.40Å	Aromatic
CAJ	CAD	sing	1.39Å	1.40Å	Aromatic
CAJ	HAJ	sing	1.09Å	1.10Å
CAD	CAC	doub	1.39Å	1.39Å	Aromatic
CAD	HAD	sing	1.09Å	1.10Å
CAC	CAI	sing	1.40Å	1.39Å	Aromatic
CAC	HAC	sing	1.09Å	1.10Å
CAI	C4	doub	1.39Å	1.40Å	Aromatic
CAI	HAI	sing	1.09Å	1.10Å
C4	N3	sing	1.34Å	1.34Å	Aromatic
N3	C2	doub	1.35Å	1.35Å	Aromatic
C2	NAQ	sing	1.40Å	1.33Å
NAQ	CAU	doub	1.29Å	1.34Å
CAU	CAG	sing	1.48Å	1.40Å
CAU	CAH	sing	1.48Å	1.39Å
CAG	CAE	doub	1.34Å	1.40Å
CAG	HAG	sing	1.08Å	1.10Å
CAE	CAT	sing	1.50Å	1.40Å
CAE	HAE	sing	1.09Å	1.10Å
CAT	HAT	sing	1.10Å	1.10Å
CAT	CAB	sing	1.47Å	1.43Å
CAT	CAF	sing	1.50Å	1.39Å
CAB	NAA	trip	1.16Å	1.14Å
CAF	CAH	doub	1.34Å	1.38Å
CAF	HAF	sing	1.09Å	1.10Å
CAH	HAH	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAM	CAL	CBB	59.7°	60.2°
CAM	CAL	HAL1	135.2°	117.7°
CAM	CAL	HAL2	135.2°	117.6°
CAL	CAM	CBB	59.8°	60.1°
CAL	CAM	HAM1	135.1°	117.7°
CAL	CAM	HAM2	135.1°	117.8°
CBB	CAL	HAL1	135.2°	118.1°
CBB	CAL	HAL2	135.2°	118.4°
CAL	CBB	CAM	60.5°	59.7°
CAL	CBB	CAX	114.6°	119.2°
CAL	CBB	HBB	135.7°	116.2°
HAL1	CAL	HAL2	70.3°	114.4°
CBB	CAM	HAM1	135.1°	118.5°
CBB	CAM	HAM2	135.1°	118.2°
CAM	CBB	CAX	116.4°	119.2°
CAM	CBB	HBB	134.2°	116.2°
HAM1	CAM	HAM2	70.4°	114.2°
CAX	CBB	HBB	95.3°	115.2°
CBB	CAX	CAK	127.0°	127.4°
CBB	CAX	NAS	121.5°	126.7°
CAK	CAX	NAS	111.5°	105.9°
CAX	CAK	CAV	102.5°	102.8°
CAX	CAK	HAK	128.9°	126.9°
CAX	NAS	NAN	106.0°	113.8°
CAX	NAS	HAS	113.5°	128.0°
CAV	CAK	HAK	128.7°	130.3°
CAK	CAV	NAN	108.2°	116.0°
CAK	CAV	NAR	132.1°	119.7°
NAN	NAS	HAS	113.5°	118.2°
NAS	NAN	CAV	111.9°	101.4°
NAN	CAV	NAR	119.6°	124.3°
CAV	NAR	C6	128.1°	132.4°
CAV	NAR	HAR	105.7°	114.3°
C6	NAR	HAR	105.7°	113.3°
NAR	C6	N1	121.0°	116.7°
NAR	C6	C5	121.1°	119.3°
N1	C6	C5	117.9°	123.9°
C6	N1	C2	121.7°	114.6°
C6	C5	CAJ	121.8°	122.9°
C6	C5	C4	119.4°	116.1°
N1	C2	N3	121.6°	127.2°
N1	C2	NAQ	119.5°	116.4°
CAJ	C5	C4	118.7°	121.0°
C5	CAJ	CAD	120.3°	120.0°
C5	CAJ	HAJ	119.8°	121.8°
C5	C4	CAI	120.7°	117.8°
C5	C4	N3	119.6°	121.5°
CAD	CAJ	HAJ	119.9°	118.2°
CAJ	CAD	CAC	120.7°	119.6°
CAJ	CAD	HAD	119.9°	120.2°
CAC	CAD	HAD	119.3°	120.2°
CAD	CAC	CAI	119.3°	120.1°
CAD	CAC	HAC	120.3°	120.1°
CAI	CAC	HAC	120.4°	119.9°
CAC	CAI	C4	120.2°	121.6°
CAC	CAI	HAI	119.6°	118.6°
C4	CAI	HAI	120.2°	119.8°
CAI	C4	N3	119.7°	120.7°
C4	N3	C2	119.8°	116.7°
N3	C2	NAQ	118.9°	116.4°
C2	NAQ	CAU	122.9°	116.1°
NAQ	CAU	CAG	123.4°	122.3°
NAQ	CAU	CAH	116.6°	120.1°
CAG	CAU	CAH	120.0°	117.5°
CAU	CAG	CAE	120.2°	120.5°
CAU	CAG	HAG	120.1°	118.4°
CAU	CAH	CAF	120.0°	120.5°
CAU	CAH	HAH	120.3°	118.2°
CAE	CAG	HAG	119.8°	121.0°
CAG	CAE	CAT	118.9°	124.2°
CAG	CAE	HAE	120.6°	118.3°
CAT	CAE	HAE	120.6°	117.6°
CAE	CAT	HAT	24.5°	108.2°
CAE	CAT	CAB	123.4°	109.1°
CAE	CAT	CAF	120.5°	113.1°
HAT	CAT	CAB	98.9°	109.2°
HAT	CAT	CAF	145.0°	108.2°
CAB	CAT	CAF	116.0°	109.0°
CAT	CAB	NAA	176.4°	180.0°
CAT	CAF	CAH	120.5°	124.2°
CAT	CAF	HAF	120.0°	117.6°
CAH	CAF	HAF	119.5°	118.2°
CAF	CAH	HAH	119.8°	121.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAM	CAL	CBB	HAL1	125.3°	107.5°
CAM	CAL	CBB	HAL2	125.3°	107.3°
CAM	CAL	HAL1	HAL2	135.1°	144.3°
CAL	CAM	CBB	HAM1	125.3°	107.4°
CAL	CAM	CBB	HAM2	125.2°	107.6°
CAL	CAM	HAM1	HAM2	135.0°	144.4°
CAM	CAL	CBB	CAX	107.6°	108.7°
CAM	CAL	CBB	HBB	124.5°	106.4°
CBB	CAL	HAL1	HAL2	135.1°	146.6°
CAL	CBB	CAX	HBB	146.4°	145.3°
CAL	CBB	CAX	CAK	58.6°	124.7°
CAL	CBB	CAX	NAS	121.5°	55.2°
HAL1	CAL	CAM	HAM1	109.4°	143.2°
HAL1	CAL	CAM	HAM2	0.0°	0.1°
HAL1	CAL	CBB	CAX	17.7°	1.2°
HAL1	CAL	CBB	HBB	110.2°	146.1°
HAL2	CAL	CAM	HAM1	0.0°	0.0°
HAL2	CAL	CAM	HAM2	109.4°	143.1°
HAL2	CAL	CBB	CAX	127.1°	144.0°
HAL2	CAL	CBB	HBB	0.8°	0.9°
CBB	CAM	HAM1	HAM2	135.1°	146.4°
CAM	CBB	CAX	HBB	145.8°	145.2°
CAM	CBB	CAX	CAK	9.2°	55.2°
CAM	CBB	CAX	NAS	170.7°	124.8°
HAM1	CAM	CBB	CAX	130.1°	143.9°
HAM1	CAM	CBB	HBB	1.3°	1.0°
HAM2	CAM	CBB	CAX	20.6°	1.2°
HAM2	CAM	CBB	HBB	108.2°	146.0°
CBB	CAX	CAK	NAS	179.8°	180.0°
CBB	CAX	CAK	CAV	179.7°	180.0°
CBB	CAX	CAK	HAK	0.3°	0.0°
CBB	CAX	NAS	NAN	179.7°	180.0°
CBB	CAX	NAS	HAS	55.1°	0.0°
HBB	CBB	CAX	CAK	155.0°	90.0°
HBB	CBB	CAX	NAS	24.8°	90.0°
CAX	CAK	CAV	HAK	180.0°	180.0°
CAK	CAX	NAS	NAN	0.2°	0.0°
CAK	CAX	NAS	HAS	125.1°	180.0°
CAX	CAK	CAV	NAN	0.0°	0.0°
CAX	CAK	CAV	NAR	178.0°	180.0°
NAS	CAX	CAK	CAV	0.1°	0.0°
NAS	CAX	CAK	HAK	179.9°	180.0°
CAX	NAS	NAN	HAS	125.3°	180.0°
CAX	NAS	NAN	CAV	0.1°	0.0°
CAK	CAV	NAN	NAS	0.1°	0.0°
CAK	CAV	NAN	NAR	178.3°	180.0°
CAK	CAV	NAR	C6	5.8°	180.0°
CAK	CAV	NAR	HAR	119.4°	0.0°
HAK	CAK	CAV	NAN	180.0°	180.0°
HAK	CAK	CAV	NAR	2.0°	0.0°
NAS	NAN	CAV	NAR	178.2°	180.0°
HAS	NAS	NAN	CAV	125.1°	180.0°
NAN	CAV	NAR	C6	176.4°	0.0°
NAN	CAV	NAR	HAR	58.4°	180.0°
CAV	NAR	C6	HAR	125.3°	180.0°
CAV	NAR	C6	N1	16.6°	30.0°
CAV	NAR	C6	C5	164.4°	150.0°
NAR	C6	N1	C5	179.0°	180.0°
NAR	C6	N1	C2	179.9°	180.0°
NAR	C6	C5	CAJ	0.1°	0.0°
NAR	C6	C5	C4	180.0°	179.9°
HAR	NAR	C6	N1	108.7°	150.0°
HAR	NAR	C6	C5	70.3°	30.0°
N1	C6	C5	CAJ	178.9°	180.0°
N1	C6	C5	C4	1.0°	0.1°
C6	N1	C2	N3	0.0°	0.0°
C6	N1	C2	NAQ	179.2°	179.9°
C5	C6	N1	C2	1.0°	0.0°
C6	C5	CAJ	C4	179.9°	179.9°
C6	C5	CAJ	CAD	179.8°	180.0°
C6	C5	CAJ	HAJ	0.2°	0.0°
C6	C5	C4	CAI	179.8°	180.0°
C6	C5	C4	N3	0.0°	0.1°
N1	C2	N3	C4	1.1°	0.1°
N1	C2	N3	NAQ	179.2°	179.9°
N1	C2	NAQ	CAU	10.5°	90.0°
C5	CAJ	CAD	HAJ	180.0°	179.9°
C5	CAJ	CAD	CAC	0.0°	0.0°
C5	CAJ	CAD	HAD	180.0°	179.9°
CAJ	C5	C4	CAI	0.3°	0.1°
CAJ	C5	C4	N3	179.9°	180.0°
C4	C5	CAJ	CAD	0.3°	0.0°
C4	C5	CAJ	HAJ	179.7°	179.9°
C5	C4	CAI	CAC	0.1°	0.0°
C5	C4	CAI	N3	179.8°	179.9°
C5	C4	CAI	HAI	179.9°	179.9°
C5	C4	N3	C2	1.0°	0.1°
CAJ	CAD	CAC	HAD	180.0°	179.9°
CAJ	CAD	CAC	CAI	0.4°	0.0°
CAJ	CAD	CAC	HAC	179.7°	180.0°
HAJ	CAJ	CAD	CAC	180.0°	180.0°
HAJ	CAJ	CAD	HAD	0.0°	0.1°
CAD	CAC	CAI	HAC	180.0°	179.9°
CAD	CAC	CAI	C4	0.4°	0.0°
CAD	CAC	CAI	HAI	179.6°	179.9°
HAD	CAD	CAC	CAI	179.6°	180.0°
HAD	CAD	CAC	HAC	0.4°	0.1°
CAC	CAI	C4	HAI	180.0°	179.9°
CAC	CAI	C4	N3	179.7°	180.0°
HAC	CAC	CAI	C4	179.6°	180.0°
HAC	CAC	CAI	HAI	0.4°	0.1°
CAI	C4	N3	C2	179.1°	180.0°
HAI	CAI	C4	N3	0.3°	0.2°
C4	N3	C2	NAQ	179.8°	180.0°
N3	C2	NAQ	CAU	170.3°	90.1°
C2	NAQ	CAU	CAG	58.4°	180.0°
C2	NAQ	CAU	CAH	123.1°	0.2°
NAQ	CAU	CAG	CAH	178.5°	179.7°
NAQ	CAU	CAG	CAE	179.4°	179.3°
NAQ	CAU	CAG	HAG	0.6°	0.9°
NAQ	CAU	CAH	CAF	179.1°	179.2°
NAQ	CAU	CAH	HAH	0.9°	0.9°
CAU	CAG	CAE	HAG	180.0°	179.8°
CAU	CAG	CAE	CAT	0.7°	0.1°
CAU	CAG	CAE	HAE	179.3°	179.2°
CAG	CAU	CAH	CAF	0.5°	1.0°
CAG	CAU	CAH	HAH	179.5°	178.9°
CAH	CAU	CAG	CAE	0.9°	1.0°
CAH	CAU	CAG	HAG	179.1°	178.8°
CAU	CAH	CAF	CAT	0.0°	0.1°
CAU	CAH	CAF	HAH	180.0°	179.9°
CAU	CAH	CAF	HAF	180.0°	179.2°
CAG	CAE	CAT	HAE	180.0°	179.2°
CAG	CAE	CAT	HAT	178.4°	120.6°
CAG	CAE	CAT	CAB	179.7°	120.7°
CAG	CAE	CAT	CAF	0.2°	0.8°
HAG	CAG	CAE	CAT	179.2°	179.8°
HAG	CAG	CAE	HAE	0.7°	0.6°
CAE	CAT	HAT	CAB	178.4°	118.6°
CAE	CAT	HAT	CAF	2.8°	122.8°
CAE	CAT	CAB	CAF	179.9°	123.9°
CAE	CAT	CAB	NAA	179.6°	52.5°
CAE	CAT	CAF	CAH	0.2°	0.7°
CAE	CAT	CAF	HAF	179.8°	178.3°
HAE	CAE	CAT	HAT	1.7°	58.6°
HAE	CAE	CAT	CAB	0.2°	60.1°
HAE	CAE	CAT	CAF	179.8°	178.4°
HAT	CAT	CAB	CAF	179.3°	118.0°
HAT	CAT	CAB	NAA	179.6°	170.5°
HAT	CAT	CAF	CAH	1.1°	120.5°
HAT	CAT	CAF	HAF	178.9°	58.5°
CAB	CAT	CAF	CAH	179.9°	120.8°
CAB	CAT	CAF	HAF	0.1°	60.1°
CAF	CAT	CAB	NAA	0.3°	71.4°
CAT	CAF	CAH	HAF	180.0°	179.1°
CAT	CAF	CAH	HAH	180.0°	179.7°
HAF	CAF	CAH	HAH	0.0°	0.7°

Definition date:	2006-11-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB