4CK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	N1	sing	1.40Å	1.25Å	Aromatic
N1	CAS	sing	1.35Å	1.35Å	Aromatic
N2	CAR	doub	1.31Å	1.34Å	Aromatic
N3	CAR	sing	1.40Å	1.35Å
N3	CAO	sing	1.35Å	1.34Å
N3	HN3	sing	0.97Å	1.00Å
OAA	CAN	doub	1.21Å	1.25Å
CAO	OAB	doub	1.22Å	1.23Å
CAN	OAC	sing	1.35Å	1.25Å
OAC	HOAC	sing	0.97Å	0.95Å
CAP	CAD	doub	1.40Å	1.40Å	Aromatic
CAD	CAF	sing	1.38Å	1.40Å	Aromatic
CAD	HAD	sing	1.08Å	1.08Å
CAE	CAG	doub	1.38Å	1.40Å	Aromatic
CAE	CAP	sing	1.40Å	1.39Å	Aromatic
CAE	HAE	sing	1.08Å	1.08Å
CAQ	CAF	doub	1.40Å	1.40Å	Aromatic
CAF	HAF	sing	1.08Å	1.08Å
CAG	CAQ	sing	1.40Å	1.41Å	Aromatic
CAG	HAG	sing	1.08Å	1.08Å
CAR	CAH	sing	1.40Å	1.36Å	Aromatic
CAH	CAS	doub	1.35Å	1.34Å	Aromatic
CAH	HAH	sing	1.08Å	1.08Å
CAT	CAI	sing	1.53Å	1.53Å
CAJ	CAI	sing	1.53Å	1.53Å
CAI	HAI	sing	1.09Å	1.10Å
CAI	HAIA	sing	1.09Å	1.10Å
CAT	CAJ	sing	1.53Å	1.54Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
CAN	CAP	sing	1.48Å	1.54Å
CAQ	CAO	sing	1.48Å	1.53Å
CAS	CAT	sing	1.51Å	1.54Å
CAT	HAT	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	CAS	109.5°	108.0°
N1	N2	CAR	108.3°	108.1°
N2	N1	HN1	125.2°	126.0°
N1	CAS	CAH	109.1°	107.9°
N1	CAS	CAT	119.8°	126.0°
CAS	N1	HN1	125.3°	126.0°
N2	CAR	N3	121.1°	125.9°
N2	CAR	CAH	109.4°	108.1°
CAR	N3	CAO	126.2°	120.0°
CAR	N3	HN3	116.9°	120.0°
N3	CAR	CAH	129.5°	126.0°
CAO	N3	HN3	116.9°	120.0°
N3	CAO	OAB	124.1°	120.0°
N3	CAO	CAQ	115.9°	120.0°
OAA	CAN	OAC	124.2°	120.0°
OAA	CAN	CAP	118.0°	120.0°
OAB	CAO	CAQ	119.7°	120.0°
CAN	OAC	HOAC	109.5°	117.0°
OAC	CAN	CAP	117.7°	120.0°
CAP	CAD	CAF	120.3°	120.0°
CAP	CAD	HAD	119.9°	120.0°
CAD	CAP	CAE	120.3°	120.0°
CAD	CAP	CAN	120.5°	120.0°
CAF	CAD	HAD	119.9°	120.1°
CAD	CAF	CAQ	119.7°	120.0°
CAD	CAF	HAF	120.1°	120.0°
CAG	CAE	CAP	119.5°	120.0°
CAG	CAE	HAE	120.2°	120.0°
CAE	CAG	CAQ	120.7°	120.0°
CAE	CAG	HAG	119.7°	120.0°
CAP	CAE	HAE	120.2°	120.0°
CAE	CAP	CAN	119.2°	120.0°
CAQ	CAF	HAF	120.2°	120.0°
CAF	CAQ	CAG	119.5°	120.0°
CAF	CAQ	CAO	118.7°	120.0°
CAQ	CAG	HAG	119.7°	119.9°
CAG	CAQ	CAO	121.8°	120.0°
CAR	CAH	CAS	103.8°	107.9°
CAR	CAH	HAH	128.1°	126.0°
CAS	CAH	HAH	128.1°	126.1°
CAH	CAS	CAT	131.1°	126.1°
CAT	CAI	CAJ	60.2°	60.0°
CAT	CAI	HAI	130.7°	117.5°
CAT	CAI	HAIA	130.8°	117.5°
CAI	CAT	CAJ	59.8°	59.9°
CAI	CAT	CAS	119.6°	117.5°
CAI	CAT	HAT	134.1°	117.5°
CAJ	CAI	HAI	130.8°	117.6°
CAJ	CAI	HAIA	130.8°	117.5°
CAI	CAJ	CAT	60.0°	60.0°
CAI	CAJ	HAJ	130.9°	117.5°
CAI	CAJ	HAJA	130.9°	117.5°
HAI	CAI	HAIA	82.0°	115.5°
CAT	CAJ	HAJ	130.9°	117.5°
CAT	CAJ	HAJA	130.9°	117.5°
CAJ	CAT	CAS	117.3°	117.5°
CAJ	CAT	HAT	136.1°	117.6°
HAJ	CAJ	HAJA	81.8°	115.5°
CAS	CAT	HAT	91.8°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N1	CAS	HN1	180.0°	179.8°
N1	N2	CAR	N3	178.1°	180.0°
N1	N2	CAR	CAH	0.3°	0.0°
N2	N1	CAS	CAH	0.4°	0.0°
N2	N1	CAS	CAT	176.8°	179.7°
CAS	N1	N2	CAR	0.5°	0.0°
N1	CAS	CAH	CAR	0.2°	0.0°
N1	CAS	CAH	CAT	176.9°	179.7°
N1	CAS	CAH	HAH	179.8°	180.0°
N1	CAS	CAT	CAI	148.2°	35.0°
N1	CAS	CAT	CAJ	142.7°	33.5°
N1	CAS	CAT	HAT	3.2°	179.3°
N2	CAR	N3	CAH	178.1°	179.9°
N2	CAR	N3	CAO	162.2°	179.9°
N2	CAR	N3	HN3	17.8°	0.0°
N2	CAR	CAH	CAS	0.1°	0.0°
N2	CAR	CAH	HAH	179.9°	180.0°
CAR	N2	N1	HN1	179.5°	179.8°
CAR	N3	CAO	HN3	180.0°	180.0°
CAR	N3	CAO	OAB	4.3°	0.1°
N3	CAR	CAH	CAS	178.2°	180.0°
N3	CAR	CAH	HAH	1.9°	0.1°
CAR	N3	CAO	CAQ	177.6°	180.0°
N3	CAO	OAB	CAQ	173.0°	180.0°
N3	CAO	CAQ	CAF	155.1°	0.6°
N3	CAO	CAQ	CAG	27.5°	179.9°
CAO	N3	CAR	CAH	15.9°	0.0°
HN3	N3	CAO	OAB	175.7°	180.0°
HN3	N3	CAR	CAH	164.1°	180.0°
HN3	N3	CAO	CAQ	2.4°	0.0°
OAA	CAN	OAC	CAP	177.1°	180.0°
OAA	CAN	OAC	HOAC	0.0°	0.0°
OAA	CAN	CAP	CAD	172.4°	180.0°
OAA	CAN	CAP	CAE	5.9°	0.0°
OAB	CAO	CAQ	CAF	31.3°	179.5°
OAB	CAO	CAQ	CAG	146.1°	0.0°
OAC	CAN	CAP	CAD	4.8°	0.1°
OAC	CAN	CAP	CAE	176.8°	180.0°
HOAC	OAC	CAN	CAP	177.1°	180.0°
CAP	CAD	CAF	HAD	180.0°	179.6°
CAD	CAP	CAE	CAG	0.3°	0.5°
CAD	CAP	CAE	CAN	178.3°	179.9°
CAD	CAP	CAE	HAE	179.7°	179.7°
CAP	CAD	CAF	CAQ	1.1°	0.4°
CAP	CAD	CAF	HAF	178.9°	179.7°
CAF	CAD	CAP	CAE	0.6°	0.1°
CAD	CAF	CAQ	HAF	180.0°	179.9°
CAD	CAF	CAQ	CAG	0.7°	0.1°
CAF	CAD	CAP	CAN	178.9°	180.0°
CAD	CAF	CAQ	CAO	176.8°	179.4°
HAD	CAD	CAP	CAE	179.4°	179.7°
HAD	CAD	CAF	CAQ	178.9°	180.0°
HAD	CAD	CAF	HAF	1.1°	0.1°
HAD	CAD	CAP	CAN	1.1°	0.4°
CAG	CAE	CAP	HAE	180.0°	179.2°
CAE	CAG	CAQ	CAF	0.2°	0.5°
CAE	CAG	CAQ	HAG	180.0°	179.2°
CAG	CAE	CAP	CAN	178.1°	179.5°
CAE	CAG	CAQ	CAO	177.6°	180.0°
CAP	CAE	CAG	CAQ	0.7°	0.8°
CAP	CAE	CAG	HAG	179.3°	180.0°
HAE	CAE	CAG	CAQ	179.3°	180.0°
HAE	CAE	CAG	HAG	0.7°	0.8°
HAE	CAE	CAP	CAN	1.9°	0.3°
CAF	CAQ	CAG	CAO	177.4°	179.5°
CAF	CAQ	CAG	HAG	179.8°	179.7°
HAF	CAF	CAQ	CAG	179.3°	180.0°
HAF	CAF	CAQ	CAO	3.2°	0.5°
HAG	CAG	CAQ	CAO	2.4°	0.8°
CAR	CAH	CAS	HAH	180.0°	179.9°
CAR	CAH	CAS	CAT	176.7°	179.8°
CAH	CAS	CAT	CAI	35.2°	145.3°
CAH	CAS	CAT	CAJ	33.9°	146.2°
CAH	CAS	CAT	HAT	179.7°	0.4°
CAH	CAS	N1	HN1	179.6°	179.8°
HAH	CAH	CAS	CAT	3.3°	0.3°
CAT	CAI	CAJ	HAI	120.0°	107.5°
CAT	CAI	CAJ	HAIA	120.0°	107.5°
CAT	CAI	HAI	HAIA	138.5°	145.6°
CAI	CAT	CAJ	CAS	110.1°	107.5°
CAI	CAT	CAJ	HAT	123.9°	107.4°
CAI	CAT	CAJ	HAJ	120.0°	107.5°
CAI	CAT	CAJ	HAJA	120.0°	107.5°
CAI	CAT	CAS	HAT	145.0°	145.7°
CAJ	CAI	HAI	HAIA	138.5°	145.7°
CAI	CAJ	HAJ	HAJA	138.6°	145.6°
HAI	CAI	CAJ	HAJ	0.1°	145.0°
HAI	CAI	CAJ	HAJA	120.0°	0.1°
HAI	CAI	CAT	CAS	13.7°	145.0°
HAI	CAI	CAT	HAT	113.3°	0.0°
HAIA	CAI	CAJ	HAJ	119.9°	0.0°
HAIA	CAI	CAJ	HAJA	0.0°	145.0°
HAIA	CAI	CAT	CAS	133.7°	0.1°
HAIA	CAI	CAT	HAT	6.7°	144.9°
CAT	CAJ	HAJ	HAJA	138.6°	145.7°
CAJ	CAT	CAS	HAT	145.9°	145.8°
HAJ	CAJ	CAT	CAS	9.9°	0.1°
HAJ	CAJ	CAT	HAT	116.1°	145.0°
HAJA	CAJ	CAT	CAS	130.0°	145.0°
HAJA	CAJ	CAT	HAT	3.9°	0.1°
CAT	CAS	N1	HN1	3.1°	0.0°

Release date:	2013-05-08
Definition date:	2011-07-05
Last modified:	2013-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	3SM6