PRD_000799

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	doub	1.21Å	1.25Å
O	C	sing	1.34Å	1.24Å
C	CA	sing	1.51Å	1.55Å
CA	N	sing	1.46Å	1.50Å
N	CAR	sing	1.35Å	1.33Å
N	HN	sing	0.97Å	1.00Å
O	HO	sing	0.97Å	0.95Å
CB	CA	sing	1.53Å	1.55Å
CA	HA	sing	1.09Å	1.10Å
CG	CB	sing	1.53Å	1.50Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CE	SD	sing	1.81Å	1.76Å
SD	CG	sing	1.81Å	1.85Å
CE	HE	sing	1.09Å	1.10Å
CE	HEA	sing	1.09Å	1.10Å
CE	HEB	sing	1.09Å	1.10Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CAO	CAB	sing	1.51Å	1.53Å
CAB	HAB	sing	1.09Å	1.10Å
CAB	HABA	sing	1.09Å	1.10Å
CAB	HABB	sing	1.09Å	1.10Å
CAO	OAC	doub	1.21Å	1.24Å
CAP	OAD	sing	1.34Å	1.25Å
OAD	HOAD	sing	0.97Å	0.95Å
OAF	CAR	doub	1.21Å	1.24Å
CAP	OAG	doub	1.21Å	1.28Å
CAK	CAT	sing	1.53Å	1.53Å
CAK	CAP	sing	1.51Å	1.55Å
CAK	HAK	sing	1.09Å	1.10Å
CAK	HAKA	sing	1.09Å	1.10Å
CAT	NAL	sing	1.46Å	1.49Å
NAL	CAO	sing	1.35Å	1.35Å
NAL	HNAL	sing	0.97Å	1.00Å
CAR	CAT	sing	1.51Å	1.53Å
CAT	HAT	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OXT	C	O	125.5°	120.0°
OXT	C	CA	116.9°	120.0°
O	C	CA	117.6°	120.0°
C	O	HO	109.5°	117.0°
C	CA	N	112.3°	109.4°
C	CA	CB	109.0°	109.5°
C	CA	HA	106.7°	109.4°
CA	N	CAR	119.3°	120.0°
CA	N	HN	120.4°	120.0°
N	CA	CB	105.3°	109.5°
N	CA	HA	110.3°	109.5°
CAR	N	HN	120.4°	120.0°
N	CAR	OAF	121.1°	120.0°
N	CAR	CAT	116.8°	120.0°
CB	CA	HA	113.5°	109.5°
CA	CB	CG	109.0°	109.4°
CA	CB	HB	109.7°	109.5°
CA	CB	HBA	109.6°	109.5°
CG	CB	HB	109.6°	109.5°
CG	CB	HBA	109.6°	109.5°
CB	CG	SD	108.2°	109.5°
CB	CG	HG	109.9°	109.5°
CB	CG	HGA	109.9°	109.4°
HB	CB	HBA	109.3°	109.5°
CE	SD	CG	103.5°	103.0°
SD	CE	HE	109.5°	109.5°
SD	CE	HEA	109.5°	109.5°
SD	CE	HEB	109.5°	109.5°
SD	CG	HG	109.9°	109.5°
SD	CG	HGA	109.9°	109.4°
HE	CE	HEA	109.4°	109.4°
HE	CE	HEB	109.5°	109.5°
HEA	CE	HEB	109.5°	109.4°
HG	CG	HGA	109.0°	109.5°
CAO	CAB	HAB	109.5°	109.4°
CAO	CAB	HABA	109.5°	109.5°
CAO	CAB	HABB	109.5°	109.5°
CAB	CAO	OAC	119.3°	120.0°
CAB	CAO	NAL	115.5°	120.0°
HAB	CAB	HABA	109.5°	109.5°
HAB	CAB	HABB	109.5°	109.4°
HABA	CAB	HABB	109.5°	109.5°
OAC	CAO	NAL	124.2°	120.0°
CAP	OAD	HOAD	109.5°	117.0°
OAD	CAP	OAG	126.7°	120.0°
OAD	CAP	CAK	115.8°	120.0°
OAF	CAR	CAT	121.8°	120.0°
OAG	CAP	CAK	117.5°	120.0°
CAT	CAK	CAP	110.6°	109.5°
CAT	CAK	HAK	109.1°	109.5°
CAT	CAK	HAKA	109.1°	109.5°
CAK	CAT	NAL	113.4°	109.5°
CAK	CAT	CAR	105.4°	109.4°
CAK	CAT	HAT	109.5°	109.4°
CAP	CAK	HAK	109.1°	109.4°
CAP	CAK	HAKA	109.1°	109.4°
HAK	CAK	HAKA	109.9°	109.5°
CAT	NAL	CAO	121.6°	120.0°
CAT	NAL	HNAL	119.1°	120.0°
NAL	CAT	CAR	108.9°	109.5°
NAL	CAT	HAT	106.0°	109.5°
CAO	NAL	HNAL	119.2°	120.0°
CAR	CAT	HAT	113.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	O	CA	177.9°	179.8°
OXT	C	CA	N	145.8°	0.2°
OXT	C	O	HO	0.0°	0.2°
OXT	C	CA	CB	98.0°	120.2°
OXT	C	CA	HA	24.9°	119.8°
O	C	CA	N	32.3°	180.0°
O	C	CA	CB	83.9°	60.0°
O	C	CA	HA	153.2°	60.0°
C	CA	N	CB	118.4°	120.0°
C	CA	N	HA	118.8°	120.0°
C	CA	N	CAR	63.3°	85.0°
C	CA	N	HN	116.6°	95.0°
CA	C	O	HO	177.9°	180.0°
C	CA	CB	HA	118.7°	120.0°
C	CA	CB	CG	55.7°	175.0°
C	CA	CB	HB	175.7°	65.0°
C	CA	CB	HBA	64.3°	55.0°
CA	N	CAR	HN	180.0°	180.0°
N	CA	CB	HA	120.7°	120.1°
N	CA	CB	CG	176.3°	65.0°
N	CA	CB	HB	63.7°	55.0°
N	CA	CB	HBA	56.3°	175.0°
CA	N	CAR	OAF	0.7°	0.0°
CA	N	CAR	CAT	173.0°	180.0°
CAR	N	CA	CB	178.3°	155.0°
CAR	N	CA	HA	55.5°	35.0°
N	CAR	OAF	CAT	173.4°	180.0°
N	CAR	CAT	CAK	76.6°	60.0°
N	CAR	CAT	NAL	161.5°	180.0°
N	CAR	CAT	HAT	43.5°	60.0°
HN	N	CA	CB	1.8°	25.0°
HN	N	CA	HA	124.6°	145.0°
HN	N	CAR	OAF	179.2°	180.0°
HN	N	CAR	CAT	7.0°	0.0°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	120.0°	120.0°
CA	CB	HB	HBA	120.2°	120.0°
CA	CB	CG	SD	176.6°	180.0°
CA	CB	CG	HG	56.6°	60.0°
CA	CB	CG	HGA	63.4°	60.0°
HA	CA	CB	CG	63.0°	55.0°
HA	CA	CB	HB	57.0°	175.0°
HA	CA	CB	HBA	177.0°	65.0°
CG	CB	HB	HBA	120.2°	120.0°
CB	CG	SD	CE	77.5°	180.0°
CB	CG	SD	HG	120.0°	120.0°
CB	CG	SD	HGA	120.0°	119.9°
CB	CG	HG	HGA	120.5°	120.0°
HB	CB	CG	SD	63.4°	60.0°
HB	CB	CG	HG	176.6°	NaN°
HB	CB	CG	HGA	56.7°	60.0°
HBA	CB	CG	SD	56.6°	60.0°
HBA	CB	CG	HG	63.4°	60.0°
HBA	CB	CG	HGA	176.6°	180.0°
SD	CE	HE	HEA	120.0°	120.0°
SD	CE	HE	HEB	120.0°	120.1°
SD	CE	HEA	HEB	120.0°	120.0°
CE	SD	CG	HG	42.4°	60.0°
CE	SD	CG	HGA	162.5°	60.0°
CG	SD	CE	HE	180.0°	179.9°
CG	SD	CE	HEA	60.0°	60.0°
CG	SD	CE	HEB	60.0°	60.0°
SD	CG	HG	HGA	120.5°	120.0°
HE	CE	HEA	HEB	120.0°	120.0°
CAO	CAB	HAB	HABA	120.0°	120.0°
CAO	CAB	HAB	HABB	120.0°	120.0°
CAO	CAB	HABA	HABB	120.0°	120.1°
CAB	CAO	OAC	NAL	168.1°	180.0°
CAB	CAO	NAL	CAT	177.5°	175.1°
CAB	CAO	NAL	HNAL	2.5°	5.0°
HAB	CAB	HABA	HABB	120.0°	120.0°
HAB	CAB	CAO	OAC	0.0°	120.0°
HAB	CAB	CAO	NAL	169.1°	60.0°
HABA	CAB	CAO	OAC	120.0°	0.0°
HABA	CAB	CAO	NAL	71.0°	180.0°
HABB	CAB	CAO	OAC	120.0°	120.1°
HABB	CAB	CAO	NAL	49.1°	59.9°
OAC	CAO	NAL	CAT	9.0°	4.9°
OAC	CAO	NAL	HNAL	171.0°	175.0°
OAD	CAP	OAG	CAK	179.6°	180.0°
OAD	CAP	CAK	CAT	81.7°	175.5°
OAD	CAP	CAK	HAK	158.3°	55.5°
OAD	CAP	CAK	HAKA	38.3°	64.5°
HOAD	OAD	CAP	OAG	0.0°	0.0°
HOAD	OAD	CAP	CAK	179.6°	180.0°
OAF	CAR	CAT	CAK	109.7°	120.0°
OAF	CAR	CAT	NAL	12.2°	0.0°
OAF	CAR	CAT	HAT	130.3°	120.0°
OAG	CAP	CAK	CAT	98.7°	4.5°
OAG	CAP	CAK	HAK	21.3°	124.5°
OAG	CAP	CAK	HAKA	141.3°	115.5°
CAT	CAK	CAP	HAK	120.0°	120.0°
CAT	CAK	CAP	HAKA	120.0°	120.0°
CAT	CAK	HAK	HAKA	119.6°	120.1°
CAK	CAT	NAL	CAR	116.9°	120.0°
CAK	CAT	NAL	HAT	120.1°	120.0°
CAK	CAT	NAL	CAO	88.9°	153.3°
CAK	CAT	NAL	HNAL	91.1°	26.8°
CAK	CAT	CAR	HAT	120.0°	120.0°
CAP	CAK	HAK	HAKA	119.5°	120.0°
CAP	CAK	CAT	NAL	67.1°	65.6°
CAP	CAK	CAT	CAR	173.9°	174.4°
CAP	CAK	CAT	HAT	51.1°	54.4°
HAK	CAK	CAT	NAL	52.9°	174.5°
HAK	CAK	CAT	CAR	66.1°	54.4°
HAK	CAK	CAT	HAT	171.1°	65.6°
HAKA	CAK	CAT	NAL	172.9°	54.4°
HAKA	CAK	CAT	CAR	54.0°	65.6°
HAKA	CAK	CAT	HAT	68.9°	174.4°
CAT	NAL	CAO	HNAL	180.0°	179.9°
NAL	CAT	CAR	HAT	118.1°	120.0°
CAO	NAL	CAT	CAR	154.2°	86.8°
CAO	NAL	CAT	HAT	31.2°	33.3°
HNAL	NAL	CAT	CAR	25.8°	93.2°
HNAL	NAL	CAT	HAT	148.8°	146.8°

Release date:	2012-12-12
Last modified:	2012-12-12
Processing site:	RCSB
Sub-components:	ACE ASP MET