6YT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAK	CAF	doub	1.39Å	1.36Å	Aromatic
CAK	CAU	sing	1.38Å	1.39Å	Aromatic
CAF	CAE	sing	1.39Å	1.36Å	Aromatic
CAE	CAH	doub	1.38Å	1.38Å	Aromatic
CAH	NAN	sing	1.32Å	1.36Å	Aromatic
NAN	CAU	doub	1.32Å	1.37Å	Aromatic
CAU	CAL	sing	1.51Å	1.52Å
CAL	SAQ	sing	1.81Å	1.77Å
SAQ	CB	sing	1.81Å	1.77Å
CB	CA	sing	1.53Å	1.51Å
CA	C	sing	1.51Å	1.52Å
CA	N	sing	1.47Å	1.43Å
C	O	sing	1.34Å	1.26Å
C	OXT	doub	1.21Å	1.26Å
N	CAS	sing	1.35Å	1.35Å
CAS	OAB	doub	1.22Å	1.34Å
CAS	CAV	sing	1.48Å	1.39Å
CAV	NAO	sing	1.33Å	1.36Å	Aromatic
CAV	CAT	doub	1.40Å	1.39Å	Aromatic
NAO	CAI	doub	1.31Å	1.36Å	Aromatic
CAI	CAG	sing	1.39Å	1.39Å	Aromatic
CAG	CAJ	doub	1.38Å	1.37Å	Aromatic
CAJ	CAT	sing	1.39Å	1.37Å	Aromatic
CAT	OAD	sing	1.36Å	1.41Å
CAK	HAK	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
CAL	HAL1	sing	1.09Å	1.10Å
CAL	HAL2	sing	1.09Å	1.10Å
CB	HB1C	sing	1.09Å	1.10Å
CB	HB2C	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
N	H	sing	0.97Å	1.00Å
O	HB	sing	0.97Å	0.95Å
CAI	HAI	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å
OAD	HAD	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAF	CAK	CAU	119.6°	119.2°
CAK	CAF	CAE	120.9°	118.4°
CAF	CAK	HAK	120.2°	120.4°
CAK	CAF	HAF	119.6°	120.8°
CAK	CAU	NAN	119.6°	120.7°
CAK	CAU	CAL	120.4°	119.6°
CAU	CAK	HAK	120.2°	120.4°
CAF	CAE	CAH	119.5°	119.2°
CAE	CAF	HAF	119.6°	120.8°
CAF	CAE	HAE	120.2°	120.4°
CAE	CAH	NAN	120.0°	120.8°
CAH	CAE	HAE	120.3°	120.4°
CAE	CAH	HAH	120.0°	119.6°
CAH	NAN	CAU	120.5°	121.7°
NAN	CAH	HAH	120.0°	119.6°
NAN	CAU	CAL	120.1°	119.7°
CAU	CAL	SAQ	112.0°	109.5°
CAU	CAL	HAL1	108.8°	109.4°
CAU	CAL	HAL2	108.8°	109.5°
CAL	SAQ	CB	96.5°	103.0°
SAQ	CAL	HAL1	108.8°	109.5°
SAQ	CAL	HAL2	108.9°	109.5°
SAQ	CB	CA	112.1°	109.5°
SAQ	CB	HB1C	108.8°	109.5°
SAQ	CB	HB2C	108.8°	109.5°
CB	CA	C	107.8°	109.5°
CB	CA	N	110.8°	109.4°
CA	CB	HB1C	108.8°	109.5°
CA	CB	HB2C	108.8°	109.5°
CB	CA	HA	108.7°	109.4°
C	CA	N	111.0°	109.5°
CA	C	O	116.6°	120.1°
CA	C	OXT	117.3°	120.0°
C	CA	HA	108.6°	109.5°
CA	N	CAS	119.4°	120.0°
N	CA	HA	109.9°	109.4°
CA	N	H	120.3°	120.0°
O	C	OXT	126.1°	119.9°
C	O	HB	109.5°	117.1°
N	CAS	OAB	122.5°	120.0°
N	CAS	CAV	120.0°	120.0°
CAS	N	H	120.3°	120.0°
OAB	CAS	CAV	117.5°	120.0°
CAS	CAV	NAO	118.2°	119.8°
CAS	CAV	CAT	121.7°	119.8°
NAO	CAV	CAT	120.1°	120.5°
CAV	NAO	CAI	120.0°	121.7°
CAV	CAT	CAJ	119.7°	118.9°
CAV	CAT	OAD	119.8°	120.6°
NAO	CAI	CAG	120.2°	121.1°
NAO	CAI	HAI	119.9°	119.4°
CAI	CAG	CAJ	119.8°	119.5°
CAG	CAI	HAI	119.9°	119.5°
CAI	CAG	HAG	120.1°	120.3°
CAG	CAJ	CAT	120.1°	118.4°
CAJ	CAG	HAG	120.1°	120.3°
CAG	CAJ	HAJ	119.9°	120.8°
CAJ	CAT	OAD	120.5°	120.5°
CAT	CAJ	HAJ	119.9°	120.8°
CAT	OAD	HAD	109.5°	114.0°
HAL1	CAL	HAL2	109.5°	109.4°
HB1C	CB	HB2C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAF	CAK	CAU	HAK	180.0°	179.8°
CAK	CAF	CAE	HAF	180.0°	180.0°
CAK	CAF	CAE	CAH	0.0°	0.0°
CAF	CAK	CAU	NAN	0.1°	0.0°
CAF	CAK	CAU	CAL	179.9°	180.0°
CAK	CAF	CAE	HAE	180.0°	180.0°
CAU	CAK	CAF	CAE	0.1°	0.0°
CAK	CAU	NAN	CAH	0.4°	0.0°
CAK	CAU	NAN	CAL	179.9°	180.0°
CAK	CAU	CAL	SAQ	36.6°	90.0°
CAU	CAK	CAF	HAF	179.9°	180.0°
CAK	CAU	CAL	HAL1	156.9°	150.0°
CAK	CAU	CAL	HAL2	83.8°	30.0°
CAF	CAE	CAH	HAE	180.0°	180.0°
CAF	CAE	CAH	NAN	0.3°	0.0°
CAE	CAF	CAK	HAK	179.9°	179.7°
CAF	CAE	CAH	HAH	179.8°	180.0°
CAE	CAH	NAN	HAH	180.0°	180.0°
CAE	CAH	NAN	CAU	0.5°	0.1°
CAH	CAE	CAF	HAF	180.0°	180.0°
CAH	NAN	CAU	CAL	179.6°	180.0°
NAN	CAH	CAE	HAE	179.7°	180.0°
NAN	CAU	CAL	SAQ	143.5°	90.0°
NAN	CAU	CAK	HAK	179.9°	179.7°
CAU	NAN	CAH	HAH	179.6°	180.0°
NAN	CAU	CAL	HAL1	23.1°	30.1°
NAN	CAU	CAL	HAL2	96.1°	150.0°
CAU	CAL	SAQ	HAL1	120.4°	120.0°
CAU	CAL	SAQ	HAL2	120.4°	120.1°
CAU	CAL	SAQ	CB	67.9°	180.0°
CAL	CAU	CAK	HAK	0.1°	0.3°
CAU	CAL	HAL1	HAL2	118.8°	120.0°
CAL	SAQ	CB	CA	116.9°	180.0°
SAQ	CAL	HAL1	HAL2	118.9°	120.0°
CAL	SAQ	CB	HB1C	122.7°	60.0°
CAL	SAQ	CB	HB2C	3.5°	60.0°
SAQ	CB	CA	HB1C	120.4°	120.0°
SAQ	CB	CA	HB2C	120.4°	120.0°
SAQ	CB	CA	C	76.6°	180.0°
SAQ	CB	CA	N	45.0°	59.9°
CB	SAQ	CAL	HAL1	52.5°	60.0°
CB	SAQ	CAL	HAL2	171.7°	59.9°
SAQ	CB	HB1C	HB2C	118.8°	120.0°
SAQ	CB	CA	HA	165.9°	60.0°
CB	CA	C	N	121.5°	120.0°
CB	CA	C	HA	117.6°	120.0°
CB	CA	N	HA	120.1°	119.9°
CB	CA	C	O	74.2°	60.0°
CB	CA	C	OXT	105.0°	120.0°
CB	CA	N	CAS	67.2°	155.0°
CA	CB	HB1C	HB2C	118.8°	120.0°
CB	CA	N	H	112.8°	25.1°
C	CA	N	HA	120.2°	120.1°
CA	C	O	OXT	179.2°	180.0°
C	CA	N	CAS	173.1°	84.9°
C	CA	CB	HB1C	163.0°	60.0°
C	CA	CB	HB2C	43.8°	60.0°
C	CA	N	H	6.9°	94.9°
CA	C	O	HB	179.2°	180.0°
N	CA	C	O	47.3°	180.0°
N	CA	C	OXT	133.5°	0.0°
CA	N	CAS	H	180.0°	179.9°
CA	N	CAS	OAB	17.1°	0.1°
CA	N	CAS	CAV	162.1°	180.0°
N	CA	CB	HB1C	75.4°	180.0°
N	CA	CB	HB2C	165.4°	60.1°
O	C	CA	HA	168.2°	60.0°
OXT	C	CA	HA	12.6°	120.0°
OXT	C	O	HB	0.0°	0.0°
N	CAS	OAB	CAV	179.2°	179.9°
N	CAS	CAV	NAO	162.3°	0.0°
N	CAS	CAV	CAT	18.8°	179.7°
CAS	N	CA	HA	52.9°	35.1°
OAB	CAS	CAV	NAO	18.5°	180.0°
OAB	CAS	CAV	CAT	160.4°	0.3°
OAB	CAS	N	H	162.9°	180.0°
CAS	CAV	NAO	CAT	178.9°	179.7°
CAS	CAV	NAO	CAI	179.7°	180.0°
CAS	CAV	CAT	CAJ	179.6°	179.7°
CAS	CAV	CAT	OAD	0.6°	0.0°
CAV	CAS	N	H	17.9°	0.1°
CAV	NAO	CAI	CAG	0.4°	0.0°
NAO	CAV	CAT	CAJ	0.7°	0.6°
NAO	CAV	CAT	OAD	179.5°	179.7°
CAV	NAO	CAI	HAI	179.7°	180.0°
CAT	CAV	NAO	CAI	0.7°	0.3°
CAV	CAT	CAJ	CAG	0.3°	0.5°
CAV	CAT	CAJ	OAD	179.8°	179.7°
CAV	CAT	CAJ	HAJ	179.7°	179.7°
CAV	CAT	OAD	HAD	180.0°	90.0°
NAO	CAI	CAG	HAI	180.0°	180.0°
NAO	CAI	CAG	CAJ	0.0°	0.0°
NAO	CAI	CAG	HAG	180.0°	180.0°
CAI	CAG	CAJ	HAG	180.0°	180.0°
CAI	CAG	CAJ	CAT	0.0°	0.2°
CAI	CAG	CAJ	HAJ	179.9°	180.0°
CAG	CAJ	CAT	HAJ	180.0°	179.8°
CAG	CAJ	CAT	OAD	179.9°	179.8°
CAJ	CAG	CAI	HAI	180.0°	179.9°
CAT	CAJ	CAG	HAG	180.0°	179.7°
CAJ	CAT	OAD	HAD	0.2°	89.7°
OAD	CAT	CAJ	HAJ	0.1°	0.0°
HAK	CAK	CAF	HAF	0.1°	0.2°
HAF	CAF	CAE	HAE	0.0°	0.0°
HAE	CAE	CAH	HAH	0.2°	0.0°
HB1C	CB	CA	HA	45.5°	60.0°
HB2C	CB	CA	HA	73.7°	180.0°
HA	CA	N	H	127.0°	145.0°
HAI	CAI	CAG	HAG	0.0°	0.0°
HAG	CAG	CAJ	HAJ	0.0°	0.1°

Release date:	2014-05-14
Definition date:	2013-10-01
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4C8R