NPQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	C	sing	1.51Å	1.59Å
O	C	doub	1.21Å	1.21Å
C	OXT	sing	1.34Å	1.21Å
CAN	N	sing	1.35Å	1.35Å
N	CA	sing	1.47Å	1.45Å
N	HN	sing	0.97Å	1.00Å
CB	CA	sing	1.53Å	1.44Å
CA	HA	sing	1.09Å	1.10Å
CB	CG	sing	1.51Å	1.46Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CD1	CG	doub	1.39Å	1.38Å	Aromatic
CG	CD2	sing	1.36Å	1.41Å	Aromatic
CAA	CAN	sing	1.51Å	1.59Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
CAA	HAAB	sing	1.09Å	1.10Å
OAB	CAN	doub	1.21Å	1.23Å
CAH	CAE	doub	1.36Å	1.38Å	Aromatic
CAE	CAF	sing	1.39Å	1.42Å	Aromatic
CAE	HAE	sing	1.08Å	1.08Å
CAF	CAI	doub	1.36Å	1.43Å	Aromatic
CAF	HAF	sing	1.08Å	1.08Å
CAH	CAQ	sing	1.41Å	1.42Å	Aromatic
CAH	HAH	sing	1.08Å	1.08Å
CAR	CAI	sing	1.41Å	1.39Å	Aromatic
CAI	HAI	sing	1.08Å	1.08Å
CAJ	CD1	sing	1.36Å	1.38Å	Aromatic
CAJ	CAQ	doub	1.41Å	1.34Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.08Å
CAQ	CAR	sing	1.42Å	1.42Å	Aromatic
CAR	CD2	doub	1.40Å	1.44Å	Aromatic
CD1	HD1	sing	1.08Å	1.08Å
CD2	HD2	sing	1.08Å	1.08Å
OXT	HOXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	C	O	118.8°	120.0°
CA	C	OXT	119.0°	120.0°
C	CA	N	111.3°	109.4°
C	CA	CB	110.9°	109.5°
C	CA	HA	105.1°	109.5°
O	C	OXT	122.0°	120.0°
C	OXT	HOXT	109.5°	117.0°
CAN	N	CA	129.7°	120.0°
CAN	N	HN	115.1°	120.0°
N	CAN	CAA	112.7°	120.0°
N	CAN	OAB	127.1°	120.0°
CA	N	HN	115.2°	120.0°
N	CA	CB	115.5°	109.5°
N	CA	HA	106.6°	109.5°
CB	CA	HA	106.7°	109.5°
CA	CB	CG	121.0°	109.5°
CA	CB	HB	106.5°	109.5°
CA	CB	HBA	106.5°	109.5°
CG	CB	HB	106.5°	109.4°
CG	CB	HBA	106.5°	109.5°
CB	CG	CD1	109.0°	119.5°
CB	CG	CD2	135.6°	119.5°
HB	CB	HBA	109.5°	109.4°
CD1	CG	CD2	115.0°	121.0°
CG	CD1	CAJ	127.3°	121.0°
CG	CD1	HD1	116.3°	119.6°
CG	CD2	CAR	117.6°	119.6°
CG	CD2	HD2	121.2°	120.2°
CAN	CAA	HAA	109.5°	109.5°
CAN	CAA	HAAA	109.5°	109.5°
CAN	CAA	HAAB	109.5°	109.5°
CAA	CAN	OAB	120.1°	120.0°
HAA	CAA	HAAA	109.5°	109.5°
HAA	CAA	HAAB	109.4°	109.5°
HAAA	CAA	HAAB	109.5°	109.4°
CAH	CAE	CAF	116.5°	121.0°
CAH	CAE	HAE	121.8°	119.6°
CAE	CAH	CAQ	117.4°	119.7°
CAE	CAH	HAH	121.3°	120.2°
CAF	CAE	HAE	121.7°	119.5°
CAE	CAF	CAI	124.9°	121.0°
CAE	CAF	HAF	117.6°	119.5°
CAI	CAF	HAF	117.5°	119.5°
CAF	CAI	CAR	119.8°	119.6°
CAF	CAI	HAI	120.1°	120.2°
CAQ	CAH	HAH	121.3°	120.2°
CAH	CAQ	CAJ	114.9°	121.3°
CAH	CAQ	CAR	128.5°	119.4°
CAR	CAI	HAI	120.1°	120.2°
CAI	CAR	CAQ	113.0°	119.3°
CAI	CAR	CD2	123.5°	121.3°
CD1	CAJ	CAQ	119.8°	119.6°
CD1	CAJ	HAJ	120.1°	120.2°
CAJ	CD1	HD1	116.4°	119.4°
CAQ	CAJ	HAJ	120.1°	120.2°
CAJ	CAQ	CAR	116.6°	119.3°
CAQ	CAR	CD2	123.5°	119.4°
CAR	CD2	HD2	121.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	C	O	OXT	174.4°	179.8°
C	CA	N	CAN	50.3°	85.1°
C	CA	N	CB	127.7°	119.9°
C	CA	N	HA	114.0°	120.0°
C	CA	N	HN	129.7°	95.0°
C	CA	CB	HA	113.9°	120.1°
C	CA	CB	CG	170.8°	175.0°
C	CA	CB	HB	67.6°	65.0°
C	CA	CB	HBA	49.2°	55.0°
CA	C	OXT	HOXT	174.4°	179.7°
O	C	CA	N	30.6°	0.2°
O	C	CA	CB	160.7°	119.7°
O	C	CA	HA	84.4°	120.2°
O	C	OXT	HOXT	0.0°	0.0°
OXT	C	CA	N	154.8°	180.0°
OXT	C	CA	CB	24.7°	60.0°
OXT	C	CA	HA	90.2°	60.0°
CAN	N	CA	HN	180.0°	179.9°
CAN	N	CA	CB	77.3°	155.0°
CAN	N	CA	HA	164.4°	34.9°
N	CAN	CAA	OAB	176.4°	179.9°
N	CAN	CAA	HAA	176.5°	90.0°
N	CAN	CAA	HAAA	56.4°	30.1°
N	CAN	CAA	HAAB	63.6°	150.0°
N	CA	CB	HA	118.3°	120.0°
N	CA	CB	CG	61.4°	65.1°
N	CA	CB	HB	60.2°	54.9°
N	CA	CB	HBA	177.0°	174.9°
CA	N	CAN	CAA	174.7°	180.0°
CA	N	CAN	OAB	9.2°	0.1°
HN	N	CA	CB	102.7°	24.9°
HN	N	CA	HA	15.6°	145.0°
HN	N	CAN	CAA	5.3°	0.1°
HN	N	CAN	OAB	170.9°	180.0°
CA	CB	CG	HB	121.6°	120.0°
CA	CB	CG	HBA	121.6°	120.0°
CA	CB	HB	HBA	114.8°	120.0°
CA	CB	CG	CD1	127.2°	89.7°
CA	CB	CG	CD2	60.6°	90.0°
HA	CA	CB	CG	56.9°	55.0°
HA	CA	CB	HB	178.5°	174.9°
HA	CA	CB	HBA	64.7°	65.0°
CG	CB	HB	HBA	114.8°	120.0°
CB	CG	CD1	CD2	174.0°	179.7°
CB	CG	CD1	CAJ	178.3°	180.0°
CB	CG	CD2	CAR	176.4°	180.0°
CB	CG	CD1	HD1	1.7°	0.0°
CB	CG	CD2	HD2	3.5°	0.0°
HB	CB	CG	CD1	5.6°	150.3°
HB	CB	CG	CD2	177.8°	30.0°
HBA	CB	CG	CD1	111.2°	30.3°
HBA	CB	CG	CD2	61.0°	150.0°
CG	CD1	CAJ	HD1	180.0°	180.0°
CG	CD1	CAJ	CAQ	1.9°	0.0°
CG	CD1	CAJ	HAJ	178.1°	180.0°
CD1	CG	CD2	CAR	4.5°	0.2°
CD1	CG	CD2	HD2	175.5°	179.7°
CG	CD2	CAR	CAI	178.2°	180.0°
CD2	CG	CD1	CAJ	4.3°	0.2°
CG	CD2	CAR	CAQ	2.9°	0.0°
CG	CD2	CAR	HD2	180.0°	179.9°
CD2	CG	CD1	HD1	175.7°	179.7°
CAN	CAA	HAA	HAAA	120.0°	120.0°
CAN	CAA	HAA	HAAB	120.0°	120.0°
CAN	CAA	HAAA	HAAB	120.0°	120.0°
HAA	CAA	HAAA	HAAB	120.0°	120.0°
HAA	CAA	CAN	OAB	0.0°	90.0°
HAAA	CAA	CAN	OAB	120.0°	150.0°
HAAB	CAA	CAN	OAB	120.0°	30.1°
CAH	CAE	CAF	HAE	180.0°	179.5°
CAH	CAE	CAF	CAI	0.8°	0.5°
CAH	CAE	CAF	HAF	179.2°	179.5°
CAE	CAH	CAQ	HAH	180.0°	179.9°
CAE	CAH	CAQ	CAJ	178.9°	180.0°
CAE	CAH	CAQ	CAR	0.9°	0.2°
CAE	CAF	CAI	HAF	180.0°	180.0°
CAF	CAE	CAH	CAQ	0.9°	0.5°
CAF	CAE	CAH	HAH	179.0°	179.5°
CAE	CAF	CAI	CAR	0.4°	0.2°
CAE	CAF	CAI	HAI	179.7°	179.9°
HAE	CAE	CAF	CAI	179.3°	180.0°
HAE	CAE	CAF	HAF	0.8°	0.0°
HAE	CAE	CAH	CAQ	179.1°	180.0°
HAE	CAE	CAH	HAH	0.9°	0.0°
CAF	CAI	CAR	HAI	180.0°	179.9°
CAF	CAI	CAR	CAQ	0.1°	0.1°
CAF	CAI	CAR	CD2	179.1°	179.9°
HAF	CAF	CAI	CAR	179.6°	179.8°
HAF	CAF	CAI	HAI	0.4°	0.1°
CAH	CAQ	CAR	CAI	0.4°	0.1°
CAH	CAQ	CAJ	CD1	179.9°	179.9°
CAH	CAQ	CAJ	CAR	179.8°	179.8°
CAH	CAQ	CAJ	HAJ	0.1°	0.0°
CAH	CAQ	CAR	CD2	179.4°	179.9°
HAH	CAH	CAQ	CAJ	1.1°	0.1°
HAH	CAH	CAQ	CAR	179.1°	179.7°
CAI	CAR	CAQ	CAJ	179.4°	179.8°
CAI	CAR	CAQ	CD2	179.0°	180.0°
CAI	CAR	CD2	HD2	1.8°	0.1°
HAI	CAI	CAR	CAQ	179.9°	179.8°
HAI	CAI	CAR	CD2	0.9°	0.2°
CD1	CAJ	CAQ	HAJ	180.0°	180.0°
CD1	CAJ	CAQ	CAR	0.3°	0.2°
CAJ	CAQ	CAR	CD2	0.4°	0.2°
CAQ	CAJ	CD1	HD1	178.2°	180.0°
HAJ	CAJ	CAQ	CAR	179.7°	179.8°
HAJ	CAJ	CD1	HD1	1.9°	0.1°
CAQ	CAR	CD2	HD2	177.0°	179.9°

Release date:	2016-11-16
Definition date:	2015-10-12
Last modified:	2016-11-11
Release status:	REL
Processing site:	EBI
Derived from:	5FJO