3TU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	C	sing	1.51Å	1.50Å
O	C	doub	1.21Å	1.26Å
C	OXT	sing	1.34Å	1.25Å
CA	N	sing	1.47Å	1.49Å
CAQ	N	sing	1.47Å	1.49Å
N	CAX	sing	1.34Å	1.32Å
C2	N1	sing	1.36Å	1.36Å
N1	C6	sing	1.35Å	1.36Å
N1	HN1	sing	0.97Å	1.00Å
NAA	C2	sing	1.37Å	1.34Å
C2	N3	doub	1.31Å	1.32Å
N3	C4	sing	1.35Å	1.37Å
C4	C5	doub	1.39Å	1.44Å	Aromatic
C4	SAU	sing	1.76Å	1.67Å	Aromatic
C6	C5	sing	1.42Å	1.38Å
C5	CBH	sing	1.47Å	1.41Å	Aromatic
O6	C6	doub	1.22Å	1.34Å
CB	CA	sing	1.53Å	1.47Å
CA	HA	sing	1.09Å	1.10Å
CG	CB	sing	1.53Å	1.54Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CG	CD	sing	1.51Å	1.56Å
CD	OE1	doub	1.21Å	1.26Å
CD	OE2	sing	1.34Å	1.27Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
NAA	HNAA	sing	0.97Å	1.00Å
NAA	HNAB	sing	0.97Å	1.00Å
CAX	OAD	doub	1.22Å	1.25Å
CAJ	CAH	doub	1.39Å	1.40Å	Aromatic
CAL	CAH	sing	1.38Å	1.43Å	Aromatic
CAH	HAH	sing	1.08Å	1.08Å
CAZ	CAI	doub	1.39Å	1.42Å	Aromatic
CAK	CAI	sing	1.38Å	1.41Å	Aromatic
CAI	HAI	sing	1.08Å	1.08Å
CBC	CAJ	sing	1.37Å	1.38Å	Aromatic
CAJ	HAJ	sing	1.08Å	1.08Å
CBD	CAK	doub	1.40Å	1.38Å	Aromatic
CAK	HAK	sing	1.08Å	1.08Å
CBE	CAL	doub	1.40Å	1.43Å	Aromatic
CAL	HAL	sing	1.08Å	1.08Å
CBB	CAM	doub	1.37Å	1.43Å	Aromatic
CAM	CAZ	sing	1.39Å	1.40Å	Aromatic
CAM	HAM	sing	1.08Å	1.08Å
CAP	CBC	sing	1.51Å	1.49Å
CAP	NAT	sing	1.46Å	1.50Å
CAP	HAP	sing	1.09Å	1.10Å
CAP	HAPA	sing	1.09Å	1.10Å
CAQ	CBB	sing	1.51Å	1.46Å
CAQ	HAQ	sing	1.09Å	1.10Å
CAQ	HAQA	sing	1.09Å	1.10Å
CAZ	NAT	sing	1.39Å	1.33Å
NAT	HNAT	sing	0.97Å	1.00Å
SAU	CBE	sing	1.76Å	1.76Å	Aromatic
CAX	CBD	sing	1.47Å	1.40Å
CBB	CBD	sing	1.40Å	1.40Å	Aromatic
CBH	CBC	doub	1.41Å	1.45Å	Aromatic
CBH	CBE	sing	1.39Å	1.38Å	Aromatic
OE2	HOE2	sing	0.97Å	0.95Å
OXT	HOXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	C	O	113.7°	120.0°
CA	C	OXT	123.2°	120.0°
C	CA	N	117.1°	109.5°
C	CA	CB	120.4°	109.5°
C	CA	HA	95.5°	109.5°
O	C	OXT	123.0°	120.0°
C	OXT	HOXT	109.5°	117.0°
CA	N	CAQ	119.0°	125.6°
CA	N	CAX	130.9°	125.6°
N	CA	CB	117.3°	109.4°
N	CA	HA	102.4°	109.5°
CAQ	N	CAX	109.4°	108.8°
N	CAQ	CBB	102.5°	106.2°
N	CAQ	HAQ	111.9°	110.1°
N	CAQ	HAQA	111.9°	110.1°
N	CAX	OAD	121.0°	124.8°
N	CAX	CBD	111.9°	110.3°
C2	N1	C6	121.4°	120.1°
C2	N1	HN1	119.3°	119.9°
N1	C2	NAA	116.9°	119.2°
N1	C2	N3	122.0°	121.6°
C6	N1	HN1	119.3°	119.9°
N1	C6	C5	120.9°	118.9°
N1	C6	O6	112.1°	120.5°
NAA	C2	N3	121.0°	119.2°
C2	NAA	HNAA	120.0°	120.0°
C2	NAA	HNAB	120.0°	120.0°
C2	N3	C4	116.4°	121.6°
N3	C4	C5	125.1°	119.5°
N3	C4	SAU	120.9°	129.9°
C5	C4	SAU	113.9°	110.7°
C4	C5	C6	112.8°	118.3°
C4	C5	CBH	110.2°	113.0°
C4	SAU	CBE	91.1°	93.0°
C6	C5	CBH	136.5°	128.7°
C5	C6	O6	126.9°	120.5°
C5	CBH	CBC	132.2°	128.1°
C5	CBH	CBE	112.7°	112.7°
CB	CA	HA	95.1°	109.5°
CA	CB	CG	119.8°	109.5°
CA	CB	HB	106.1°	109.5°
CA	CB	HBA	106.1°	109.5°
CG	CB	HB	106.2°	109.5°
CG	CB	HBA	106.1°	109.5°
CB	CG	CD	104.9°	109.5°
CB	CG	HG	111.0°	109.5°
CB	CG	HGA	111.0°	109.5°
HB	CB	HBA	112.6°	109.4°
CG	CD	OE1	115.0°	120.0°
CG	CD	OE2	119.2°	120.0°
CD	CG	HG	111.0°	109.4°
CD	CG	HGA	111.0°	109.4°
OE1	CD	OE2	125.7°	120.0°
CD	OE2	HOE2	109.5°	117.0°
HG	CG	HGA	107.9°	109.5°
HNAA	NAA	HNAB	120.0°	120.0°
OAD	CAX	CBD	126.7°	124.8°
CAJ	CAH	CAL	120.4°	120.1°
CAJ	CAH	HAH	119.8°	119.9°
CAH	CAJ	CBC	124.4°	120.3°
CAH	CAJ	HAJ	117.8°	119.8°
CAL	CAH	HAH	119.8°	120.0°
CAH	CAL	CBE	112.9°	120.4°
CAH	CAL	HAL	123.5°	119.8°
CAZ	CAI	CAK	123.0°	120.2°
CAZ	CAI	HAI	118.5°	119.9°
CAI	CAZ	CAM	119.0°	120.1°
CAI	CAZ	NAT	119.3°	120.0°
CAK	CAI	HAI	118.5°	119.9°
CAI	CAK	CBD	118.2°	120.0°
CAI	CAK	HAK	120.9°	120.0°
CBC	CAJ	HAJ	117.8°	119.9°
CAJ	CBC	CAP	119.1°	119.8°
CAJ	CBC	CBH	118.3°	120.3°
CBD	CAK	HAK	120.9°	120.0°
CAK	CBD	CAX	133.8°	132.3°
CAK	CBD	CBB	119.8°	119.4°
CBE	CAL	HAL	123.5°	119.8°
CAL	CBE	SAU	119.2°	129.6°
CAL	CBE	CBH	128.9°	119.7°
CBB	CAM	CAZ	117.1°	119.9°
CBB	CAM	HAM	121.4°	120.1°
CAM	CBB	CAQ	127.3°	133.2°
CAM	CBB	CBD	122.9°	120.4°
CAZ	CAM	HAM	121.4°	120.1°
CAM	CAZ	NAT	121.6°	120.0°
CBC	CAP	NAT	111.9°	109.5°
CBC	CAP	HAP	108.7°	109.5°
CBC	CAP	HAPA	108.7°	109.5°
CAP	CBC	CBH	122.7°	119.9°
NAT	CAP	HAP	108.7°	109.5°
NAT	CAP	HAPA	108.6°	109.5°
CAP	NAT	CAZ	121.9°	120.0°
CAP	NAT	HNAT	105.5°	120.0°
HAP	CAP	HAPA	110.3°	109.4°
CBB	CAQ	HAQ	111.9°	110.1°
CBB	CAQ	HAQA	111.9°	110.0°
CAQ	CBB	CBD	109.8°	106.3°
HAQ	CAQ	HAQA	107.0°	110.2°
CAZ	NAT	HNAT	105.5°	120.0°
SAU	CBE	CBH	111.7°	110.7°
CAX	CBD	CBB	106.3°	108.3°
CBC	CBH	CBE	115.1°	119.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	C	O	OXT	177.0°	179.8°
C	CA	N	CB	154.7°	120.0°
C	CA	N	HA	102.8°	120.0°
C	CA	N	CAQ	70.5°	119.7°
C	CA	N	CAX	120.1°	59.9°
C	CA	CB	HA	99.4°	120.0°
C	CA	CB	CG	168.9°	175.0°
C	CA	CB	HB	71.1°	65.0°
C	CA	CB	HBA	48.9°	55.0°
CA	C	OXT	HOXT	176.7°	179.7°
O	C	CA	N	55.7°	0.2°
O	C	CA	CB	98.2°	119.7°
O	C	CA	HA	162.7°	120.3°
O	C	OXT	HOXT	0.0°	0.0°
OXT	C	CA	N	127.3°	180.0°
OXT	C	CA	CB	78.8°	60.0°
OXT	C	CA	HA	20.4°	60.0°
CA	N	CAQ	CAX	171.6°	179.7°
N	CA	CB	HA	106.8°	120.0°
N	CA	CB	CG	37.3°	65.0°
N	CA	CB	HB	82.7°	55.0°
N	CA	CB	HBA	157.3°	175.0°
CA	N	CAX	OAD	0.8°	0.1°
CA	N	CAQ	CBB	174.4°	179.7°
CA	N	CAQ	HAQ	65.6°	61.1°
CA	N	CAQ	HAQA	54.4°	60.6°
CA	N	CAX	CBD	173.6°	180.0°
CAQ	N	CA	CB	84.3°	120.3°
CAQ	N	CA	HA	173.3°	0.3°
CAQ	N	CAX	OAD	169.5°	179.8°
N	CAQ	CBB	CAM	179.7°	180.0°
N	CAQ	CBB	HAQ	120.0°	119.2°
N	CAQ	CBB	HAQA	120.0°	119.2°
N	CAQ	HAQ	HAQA	122.9°	121.6°
CAQ	N	CAX	CBD	3.3°	0.2°
N	CAQ	CBB	CBD	1.4°	0.3°
CAX	N	CA	CB	85.2°	60.0°
CAX	N	CA	HA	17.2°	180.0°
N	CAX	OAD	CBD	171.7°	179.9°
N	CAX	CBD	CAK	179.0°	179.9°
CAX	N	CAQ	CBB	2.9°	0.0°
CAX	N	CAQ	HAQ	122.8°	119.2°
CAX	N	CAQ	HAQA	117.2°	119.1°
N	CAX	CBD	CBB	2.4°	0.4°
C2	N1	C6	HN1	180.0°	179.7°
N1	C2	NAA	N3	176.6°	179.9°
N1	C2	N3	C4	6.3°	0.0°
C2	N1	C6	C5	8.2°	0.0°
C2	N1	C6	O6	174.7°	179.7°
N1	C2	NAA	HNAA	176.6°	0.1°
N1	C2	NAA	HNAB	3.3°	180.0°
C6	N1	C2	NAA	179.1°	179.9°
C6	N1	C2	N3	2.5°	0.0°
N1	C6	C5	C4	13.1°	0.1°
N1	C6	C5	O6	176.6°	179.7°
N1	C6	C5	CBH	177.0°	179.9°
HN1	N1	C2	NAA	0.9°	0.3°
HN1	N1	C2	N3	177.5°	179.6°
HN1	N1	C6	C5	171.8°	179.6°
HN1	N1	C6	O6	5.3°	0.0°
NAA	C2	N3	C4	177.2°	180.0°
C2	NAA	HNAA	HNAB	179.9°	179.9°
C2	N3	C4	C5	0.0°	0.1°
C2	N3	C4	SAU	177.5°	180.0°
N3	C2	NAA	HNAA	0.0°	180.0°
N3	C2	NAA	HNAB	180.0°	0.1°
N3	C4	C5	SAU	177.7°	180.0°
N3	C4	C5	C6	9.5°	0.1°
N3	C4	C5	CBH	178.0°	180.0°
N3	C4	SAU	CBE	174.7°	180.0°
C4	C5	C6	CBH	169.8°	179.9°
C4	C5	C6	O6	170.3°	179.7°
C5	C4	SAU	CBE	3.1°	0.0°
C4	C5	CBH	CBC	179.0°	180.0°
C4	C5	CBH	CBE	4.8°	0.1°
SAU	C4	C5	C6	172.8°	180.0°
SAU	C4	C5	CBH	0.3°	0.1°
C4	SAU	CBE	CAL	177.8°	180.0°
C4	SAU	CBE	CBH	5.9°	0.0°
C6	C5	CBH	CBC	9.0°	0.1°
C6	C5	CBH	CBE	174.8°	180.0°
CBH	C5	C6	O6	0.5°	0.4°
C5	CBH	CBC	CAJ	173.9°	180.0°
C5	CBH	CBE	CAL	177.0°	179.9°
C5	CBH	CBC	CAP	5.3°	0.0°
C5	CBH	CBE	SAU	7.1°	0.0°
C5	CBH	CBC	CBE	176.2°	179.9°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	120.0°
CA	CB	HB	HBA	115.7°	120.0°
CA	CB	CG	CD	79.2°	180.0°
CA	CB	CG	HG	40.7°	60.0°
CA	CB	CG	HGA	160.8°	60.0°
HA	CA	CB	CG	69.5°	55.0°
HA	CA	CB	HB	170.5°	175.0°
HA	CA	CB	HBA	50.5°	65.0°
CG	CB	HB	HBA	115.7°	120.0°
CB	CG	CD	HG	120.0°	120.0°
CB	CG	CD	HGA	120.0°	120.0°
CB	CG	CD	OE1	25.8°	0.0°
CB	CG	CD	OE2	156.8°	180.0°
CB	CG	HG	HGA	121.9°	120.0°
HB	CB	CG	CD	160.8°	60.0°
HB	CB	CG	HG	79.3°	180.0°
HB	CB	CG	HGA	40.8°	60.0°
HBA	CB	CG	CD	40.7°	60.0°
HBA	CB	CG	HG	160.7°	60.0°
HBA	CB	CG	HGA	79.2°	179.9°
CG	CD	OE1	OE2	177.2°	179.9°
CD	CG	HG	HGA	121.9°	120.0°
CG	CD	OE2	HOE2	177.1°	180.0°
OE1	CD	CG	HG	145.8°	120.0°
OE1	CD	CG	HGA	94.2°	120.0°
OE1	CD	OE2	HOE2	0.0°	0.0°
OE2	CD	CG	HG	36.8°	60.0°
OE2	CD	CG	HGA	83.2°	60.0°
OAD	CAX	CBD	CAK	6.7°	0.1°
OAD	CAX	CBD	CBB	169.9°	179.6°
CAJ	CAH	CAL	HAH	180.0°	180.0°
CAH	CAJ	CBC	HAJ	180.0°	180.0°
CAJ	CAH	CAL	CBE	1.8°	0.0°
CAJ	CAH	CAL	HAL	178.2°	180.0°
CAH	CAJ	CBC	CAP	178.2°	179.9°
CAH	CAJ	CBC	CBH	2.5°	0.0°
CAL	CAH	CAJ	CBC	0.4°	0.0°
CAL	CAH	CAJ	HAJ	179.6°	180.0°
CAH	CAL	CBE	HAL	180.0°	180.0°
CAH	CAL	CBE	SAU	177.7°	180.0°
CAH	CAL	CBE	CBH	2.1°	0.0°
HAH	CAH	CAJ	CBC	179.6°	180.0°
HAH	CAH	CAJ	HAJ	0.4°	0.0°
HAH	CAH	CAL	CBE	178.2°	179.9°
HAH	CAH	CAL	HAL	1.8°	0.0°
CAZ	CAI	CAK	HAI	180.0°	179.3°
CAZ	CAI	CAK	CBD	1.3°	0.8°
CAZ	CAI	CAK	HAK	178.7°	179.3°
CAI	CAZ	CAM	CBB	1.8°	0.6°
CAI	CAZ	CAM	NAT	177.7°	180.0°
CAI	CAZ	CAM	HAM	178.2°	180.0°
CAI	CAZ	NAT	CAP	167.8°	0.1°
CAI	CAZ	NAT	HNAT	72.2°	180.0°
CAI	CAK	CBD	HAK	180.0°	180.0°
CAK	CAI	CAZ	CAM	0.8°	0.8°
CAK	CAI	CAZ	NAT	178.6°	179.1°
CAI	CAK	CBD	CAX	178.6°	179.9°
CAI	CAK	CBD	CBB	2.3°	0.5°
HAI	CAI	CAK	CBD	178.7°	179.9°
HAI	CAI	CAK	HAK	1.3°	0.0°
HAI	CAI	CAZ	CAM	179.2°	179.9°
HAI	CAI	CAZ	NAT	1.4°	0.1°
CAJ	CBC	CAP	CBH	179.2°	180.0°
CAJ	CBC	CAP	NAT	19.7°	0.9°
CAJ	CBC	CAP	HAP	100.3°	119.1°
CAJ	CBC	CAP	HAPA	139.7°	120.9°
CAJ	CBC	CBH	CBE	2.2°	0.0°
HAJ	CAJ	CBC	CAP	1.8°	0.0°
HAJ	CAJ	CBC	CBH	177.4°	180.0°
CAK	CBD	CBB	CAM	1.4°	0.3°
CAK	CBD	CBB	CAQ	177.6°	180.0°
CAK	CBD	CAX	CBB	176.6°	179.5°
HAK	CAK	CBD	CAX	1.4°	0.1°
HAK	CAK	CBD	CBB	177.7°	179.6°
CAL	CBE	SAU	CBH	176.3°	180.0°
CAL	CBE	CBH	CBC	0.1°	0.0°
HAL	CAL	CBE	SAU	2.3°	0.0°
HAL	CAL	CBE	CBH	177.9°	180.0°
CBB	CAM	CAZ	HAM	180.0°	179.4°
CAM	CBB	CAQ	CBD	178.9°	179.7°
CAM	CBB	CAQ	HAQ	59.8°	60.8°
CAM	CBB	CAQ	HAQA	60.2°	60.9°
CBB	CAM	CAZ	NAT	179.5°	179.4°
CAM	CBB	CBD	CAX	178.5°	179.8°
CAM	CAZ	NAT	CAP	9.9°	180.0°
CAZ	CAM	CBB	CAQ	179.5°	180.0°
CAM	CAZ	NAT	HNAT	110.1°	0.0°
CAZ	CAM	CBB	CBD	0.7°	0.3°
HAM	CAM	CBB	CAQ	0.5°	0.7°
HAM	CAM	CAZ	NAT	0.5°	0.0°
HAM	CAM	CBB	CBD	179.2°	179.7°
CBC	CAP	NAT	HAP	120.0°	120.0°
CBC	CAP	NAT	HAPA	120.0°	120.1°
CBC	CAP	HAP	HAPA	119.0°	120.0°
CBC	CAP	NAT	CAZ	88.3°	173.9°
CBC	CAP	NAT	HNAT	31.7°	6.1°
CAP	CBC	CBH	CBE	178.6°	180.0°
NAT	CAP	HAP	HAPA	119.0°	120.0°
CAP	NAT	CAZ	HNAT	120.0°	180.0°
NAT	CAP	CBC	CBH	159.5°	179.1°
HAP	CAP	NAT	CAZ	151.7°	53.9°
HAP	CAP	NAT	HNAT	88.3°	126.1°
HAP	CAP	CBC	CBH	80.5°	60.9°
HAPA	CAP	NAT	CAZ	31.7°	66.0°
HAPA	CAP	NAT	HNAT	151.7°	114.0°
HAPA	CAP	CBC	CBH	39.5°	59.0°
CBB	CAQ	HAQ	HAQA	122.8°	121.6°
CAQ	CBB	CBD	CAX	0.4°	0.4°
HAQ	CAQ	CBB	CBD	121.4°	118.9°
HAQA	CAQ	CBB	CBD	118.6°	119.4°
SAU	CBE	CBH	CBC	176.0°	180.0°

Definition date:	2010-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3NU0