4L1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAB	CAC	doub	1.39Å	1.27Å	Aromatic
CAB	CAD	sing	1.38Å	1.24Å	Aromatic
CAC	CAE	sing	1.38Å	1.43Å	Aromatic
CAD	NAP	doub	1.32Å	1.30Å	Aromatic
CAE	CAW	doub	1.39Å	1.53Å	Aromatic
NAP	CAW	sing	1.33Å	1.44Å	Aromatic
CAW	CAY	sing	1.48Å	1.52Å
CAY	NAT	sing	1.37Å	1.34Å	Aromatic
CAY	NAR	doub	1.31Å	1.33Å	Aromatic
NAT	CBB	sing	1.38Å	1.35Å	Aromatic
NAR	CAZ	sing	1.35Å	1.34Å	Aromatic
CBB	CAZ	doub	1.41Å	1.54Å	Aromatic
CBB	CAH	sing	1.39Å	1.37Å	Aromatic
CAZ	CAJ	sing	1.40Å	1.37Å	Aromatic
CAH	CAF	doub	1.36Å	1.42Å	Aromatic
CAJ	CAU	doub	1.39Å	1.41Å	Aromatic
CAF	CAU	sing	1.40Å	1.45Å	Aromatic
CAU	CAX	sing	1.48Å	1.50Å
CAX	NAQ	doub	1.31Å	1.34Å	Aromatic
CAX	NAS	sing	1.37Å	1.33Å	Aromatic
NAQ	CBA	sing	1.36Å	1.35Å	Aromatic
NAS	CBC	sing	1.38Å	1.34Å	Aromatic
CBA	CBC	doub	1.41Å	1.43Å	Aromatic
CBA	CAK	sing	1.40Å	1.40Å	Aromatic
CBC	CAI	sing	1.39Å	1.41Å	Aromatic
CAK	CAV	doub	1.38Å	1.35Å	Aromatic
CAI	CAG	doub	1.38Å	1.39Å	Aromatic
CAV	CAG	sing	1.39Å	1.35Å	Aromatic
CAV	NBE	sing	1.40Å	1.44Å
CAN	NBE	sing	1.47Å	1.43Å
CAN	CAL	sing	1.53Å	1.54Å
NBE	CAO	sing	1.47Å	1.45Å
CAL	NBD	sing	1.47Å	1.32Å
CAO	CAM	sing	1.53Å	1.53Å
NBD	CAM	sing	1.47Å	1.31Å
NBD	CAA	sing	1.47Å	1.34Å
CAN	HAN2	sing	1.09Å	1.10Å
CAN	HAN1	sing	1.09Å	1.10Å
CAL	HAL2	sing	1.09Å	1.10Å
CAL	HAL1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å
CAA	HAA1	sing	1.09Å	1.10Å
CAM	HAM2	sing	1.09Å	1.10Å
CAM	HAM1	sing	1.09Å	1.10Å
CAO	HAO2	sing	1.09Å	1.10Å
CAO	HAO1	sing	1.09Å	1.10Å
CAK	HAK1	sing	1.08Å	1.08Å
CAG	HAG1	sing	1.08Å	1.08Å
CAI	HAI1	sing	1.08Å	1.08Å
NAS	H2	sing	0.97Å	1.00Å
CAJ	HAJ1	sing	1.08Å	1.08Å
CAF	HAF1	sing	1.08Å	1.08Å
CAH	HAH1	sing	1.08Å	1.08Å
NAT	H4	sing	0.97Å	1.00Å
CAD	HAD1	sing	1.08Å	1.08Å
CAB	HAB1	sing	1.08Å	1.08Å
CAC	HAC1	sing	1.08Å	1.08Å
CAE	HAE1	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CAB	CAD	123.9°	119.4°
CAB	CAC	CAE	123.2°	118.6°
CAC	CAB	HAB1	118.0°	120.3°
CAB	CAC	HAC1	118.4°	120.7°
CAB	CAD	NAP	123.8°	120.9°
CAB	CAD	HAD1	118.1°	119.6°
CAD	CAB	HAB1	118.1°	120.3°
CAC	CAE	CAW	113.7°	119.0°
CAE	CAC	HAC1	118.4°	120.7°
CAC	CAE	HAE1	123.1°	120.5°
CAD	NAP	CAW	122.0°	121.6°
NAP	CAD	HAD1	118.1°	119.5°
CAE	CAW	NAP	113.3°	120.5°
CAE	CAW	CAY	122.9°	119.7°
CAW	CAE	HAE1	123.1°	120.5°
NAP	CAW	CAY	123.8°	119.7°
CAW	CAY	NAT	125.5°	125.1°
CAW	CAY	NAR	124.9°	125.1°
NAT	CAY	NAR	109.6°	109.8°
CAY	NAT	CBB	109.3°	107.3°
CAY	NAT	H4	125.3°	126.3°
CAY	NAR	CAZ	113.5°	109.6°
NAT	CBB	CAZ	106.1°	106.2°
NAT	CBB	CAH	135.0°	133.7°
CBB	NAT	H4	125.4°	126.4°
NAR	CAZ	CBB	101.6°	107.2°
NAR	CAZ	CAJ	137.6°	133.3°
CAZ	CBB	CAH	118.9°	120.1°
CBB	CAZ	CAJ	120.9°	119.5°
CBB	CAH	CAF	120.3°	120.2°
CBB	CAH	HAH1	119.9°	120.0°
CAZ	CAJ	CAU	118.3°	119.5°
CAZ	CAJ	HAJ1	120.9°	120.3°
CAH	CAF	CAU	119.4°	120.5°
CAH	CAF	HAF1	120.3°	119.8°
CAF	CAH	HAH1	119.8°	119.9°
CAJ	CAU	CAF	122.3°	120.2°
CAJ	CAU	CAX	119.2°	119.9°
CAU	CAJ	HAJ1	120.8°	120.2°
CAF	CAU	CAX	118.3°	119.9°
CAU	CAF	HAF1	120.3°	119.7°
CAU	CAX	NAQ	124.0°	125.1°
CAU	CAX	NAS	124.1°	125.1°
NAQ	CAX	NAS	111.7°	109.8°
CAX	NAQ	CBA	107.0°	109.6°
CAX	NAS	CBC	107.5°	107.1°
CAX	NAS	H2	126.3°	126.4°
NAQ	CBA	CBC	106.7°	107.2°
NAQ	CBA	CAK	134.4°	133.2°
NAS	CBC	CBA	107.1°	106.2°
NAS	CBC	CAI	133.0°	133.8°
CBC	NAS	H2	126.2°	126.4°
CBC	CBA	CAK	119.0°	119.5°
CBA	CBC	CAI	120.0°	120.0°
CBA	CAK	CAV	117.9°	119.7°
CBA	CAK	HAK1	121.1°	120.2°
CBC	CAI	CAG	118.7°	120.0°
CBC	CAI	HAI1	120.7°	120.0°
CAK	CAV	CAG	125.2°	120.4°
CAK	CAV	NBE	118.4°	119.8°
CAV	CAK	HAK1	121.1°	120.1°
CAI	CAG	CAV	119.3°	120.4°
CAI	CAG	HAG1	120.3°	119.8°
CAG	CAI	HAI1	120.6°	120.0°
CAG	CAV	NBE	116.4°	119.8°
CAV	CAG	HAG1	120.3°	119.8°
CAV	NBE	CAN	118.9°	111.0°
CAV	NBE	CAO	114.7°	111.0°
NBE	CAN	CAL	111.4°	109.4°
CAN	NBE	CAO	115.0°	110.9°
NBE	CAN	HAN2	109.0°	109.5°
NBE	CAN	HAN1	109.0°	109.5°
CAN	CAL	NBD	113.6°	109.4°
CAL	CAN	HAN2	109.0°	109.5°
CAL	CAN	HAN1	109.0°	109.4°
CAN	CAL	HAL2	108.4°	109.5°
CAN	CAL	HAL1	108.4°	109.5°
NBE	CAO	CAM	107.8°	109.4°
NBE	CAO	HAO2	109.9°	109.4°
NBE	CAO	HAO1	109.9°	109.5°
CAL	NBD	CAM	110.9°	110.9°
CAL	NBD	CAA	109.3°	111.0°
NBD	CAL	HAL2	108.4°	109.5°
NBD	CAL	HAL1	108.4°	109.4°
CAO	CAM	NBD	110.9°	109.4°
CAO	CAM	HAM2	109.1°	109.5°
CAO	CAM	HAM1	109.1°	109.5°
CAM	CAO	HAO2	109.9°	109.5°
CAM	CAO	HAO1	109.9°	109.5°
CAM	NBD	CAA	109.3°	111.1°
NBD	CAM	HAM2	109.1°	109.4°
NBD	CAM	HAM1	109.1°	109.5°
NBD	CAA	HAA2	109.5°	109.5°
NBD	CAA	HAA3	109.5°	109.5°
NBD	CAA	HAA1	109.5°	109.5°
HAN2	CAN	HAN1	109.5°	109.5°
HAL2	CAL	HAL1	109.5°	109.5°
HAA2	CAA	HAA3	109.5°	109.4°
HAA2	CAA	HAA1	109.5°	109.5°
HAA3	CAA	HAA1	109.5°	109.4°
HAM2	CAM	HAM1	109.5°	109.5°
HAO2	CAO	HAO1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CAB	CAD	HAB1	180.0°	179.7°
CAB	CAC	CAE	HAC1	180.0°	179.7°
CAC	CAB	CAD	NAP	0.6°	0.0°
CAB	CAC	CAE	CAW	0.1°	0.5°
CAC	CAB	CAD	HAD1	179.4°	179.9°
CAB	CAC	CAE	HAE1	179.9°	180.0°
CAD	CAB	CAC	CAE	0.0°	0.3°
CAB	CAD	NAP	HAD1	180.0°	179.9°
CAB	CAD	NAP	CAW	0.9°	0.0°
CAD	CAB	CAC	HAC1	180.0°	180.0°
CAC	CAE	CAW	HAE1	180.0°	179.5°
CAC	CAE	CAW	NAP	0.1°	0.5°
CAC	CAE	CAW	CAY	179.8°	179.7°
CAE	CAC	CAB	HAB1	180.0°	180.0°
CAD	NAP	CAW	CAE	0.6°	0.2°
CAD	NAP	CAW	CAY	179.3°	180.0°
NAP	CAD	CAB	HAB1	179.4°	179.7°
CAE	CAW	NAP	CAY	179.9°	179.8°
CAE	CAW	CAY	NAT	7.9°	179.7°
CAE	CAW	CAY	NAR	172.3°	0.0°
CAW	CAE	CAC	HAC1	179.9°	179.8°
NAP	CAW	CAY	NAT	172.0°	0.1°
NAP	CAW	CAY	NAR	7.8°	179.8°
CAW	NAP	CAD	HAD1	179.1°	180.0°
NAP	CAW	CAE	HAE1	179.8°	180.0°
CAW	CAY	NAT	NAR	179.9°	179.8°
CAW	CAY	NAT	CBB	180.0°	180.0°
CAW	CAY	NAR	CAZ	180.0°	179.9°
CAW	CAY	NAT	H4	0.0°	0.1°
CAY	CAW	CAE	HAE1	0.3°	0.2°
CAY	NAT	CBB	H4	180.0°	179.9°
NAT	CAY	NAR	CAZ	0.2°	0.4°
CAY	NAT	CBB	CAZ	0.0°	0.0°
CAY	NAT	CBB	CAH	179.9°	179.7°
NAR	CAY	NAT	CBB	0.1°	0.2°
CAY	NAR	CAZ	CBB	0.1°	0.4°
CAY	NAR	CAZ	CAJ	179.8°	180.0°
NAR	CAY	NAT	H4	179.9°	179.8°
NAT	CBB	CAZ	NAR	0.1°	0.2°
NAT	CBB	CAZ	CAH	179.9°	179.8°
NAT	CBB	CAZ	CAJ	179.9°	179.9°
NAT	CBB	CAH	CAF	179.9°	180.0°
NAT	CBB	CAH	HAH1	0.1°	0.0°
NAR	CAZ	CBB	CAJ	179.9°	179.7°
NAR	CAZ	CBB	CAH	180.0°	180.0°
NAR	CAZ	CAJ	CAU	178.7°	179.7°
NAR	CAZ	CAJ	HAJ1	1.3°	0.4°
CAZ	CBB	CAH	CAF	0.0°	0.3°
CBB	CAZ	CAJ	CAU	1.3°	0.0°
CBB	CAZ	CAJ	HAJ1	178.7°	180.0°
CAZ	CBB	CAH	HAH1	180.0°	179.7°
CAZ	CBB	NAT	H4	180.0°	179.9°
CAH	CBB	CAZ	CAJ	0.0°	0.3°
CBB	CAH	CAF	HAH1	180.0°	180.0°
CBB	CAH	CAF	CAU	1.3°	0.0°
CBB	CAH	CAF	HAF1	178.7°	179.9°
CAH	CBB	NAT	H4	0.1°	0.2°
CAZ	CAJ	CAU	HAJ1	180.0°	180.0°
CAZ	CAJ	CAU	CAF	2.7°	0.2°
CAZ	CAJ	CAU	CAX	177.7°	180.0°
CAH	CAF	CAU	CAJ	2.7°	0.2°
CAH	CAF	CAU	HAF1	180.0°	179.9°
CAH	CAF	CAU	CAX	177.8°	180.0°
CAJ	CAU	CAF	CAX	175.1°	179.8°
CAJ	CAU	CAX	NAQ	13.8°	0.0°
CAJ	CAU	CAX	NAS	171.7°	179.8°
CAJ	CAU	CAF	HAF1	177.3°	179.7°
CAF	CAU	CAX	NAQ	161.4°	179.8°
CAF	CAU	CAX	NAS	13.1°	0.1°
CAF	CAU	CAJ	HAJ1	177.3°	179.8°
CAU	CAF	CAH	HAH1	178.7°	179.9°
CAU	CAX	NAQ	NAS	175.1°	179.9°
CAU	CAX	NAQ	CBA	176.9°	180.0°
CAU	CAX	NAS	CBC	177.2°	179.8°
CAU	CAX	NAS	H2	2.8°	0.2°
CAX	CAU	CAJ	HAJ1	2.3°	0.0°
CAX	CAU	CAF	HAF1	2.2°	0.1°
NAQ	CAX	NAS	CBC	2.1°	0.4°
CAX	NAQ	CBA	CBC	0.8°	0.2°
CAX	NAQ	CBA	CAK	179.0°	179.3°
NAQ	CAX	NAS	H2	177.9°	179.6°
NAS	CAX	NAQ	CBA	1.8°	0.1°
CAX	NAS	CBC	H2	180.0°	180.0°
CAX	NAS	CBC	CBA	1.5°	0.4°
CAX	NAS	CBC	CAI	179.0°	180.0°
NAQ	CBA	CBC	NAS	0.4°	0.4°
NAQ	CBA	CBC	CAK	179.9°	179.3°
NAQ	CBA	CBC	CAI	180.0°	180.0°
NAQ	CBA	CAK	CAV	179.2°	179.5°
NAQ	CBA	CAK	HAK1	0.8°	0.5°
NAS	CBC	CBA	CAI	179.6°	179.7°
NAS	CBC	CBA	CAK	179.7°	179.7°
NAS	CBC	CAI	CAG	180.0°	179.9°
NAS	CBC	CAI	HAI1	0.0°	0.0°
CBC	CBA	CAK	CAV	0.6°	0.4°
CBA	CBC	CAI	CAG	0.4°	0.5°
CBC	CBA	CAK	HAK1	179.4°	179.5°
CBA	CBC	CAI	HAI1	179.5°	179.5°
CBA	CBC	NAS	H2	178.5°	179.5°
CAK	CBA	CBC	CAI	0.1°	0.7°
CBA	CAK	CAV	HAK1	180.0°	179.9°
CBA	CAK	CAV	CAG	1.0°	0.1°
CBA	CAK	CAV	NBE	179.0°	179.7°
CBC	CAI	CAG	HAI1	180.0°	180.0°
CBC	CAI	CAG	CAV	0.1°	0.0°
CBC	CAI	CAG	HAG1	180.0°	180.0°
CAI	CBC	NAS	H2	1.0°	0.0°
CAK	CAV	CAG	CAI	0.7°	0.2°
CAK	CAV	CAG	NBE	178.0°	179.7°
CAK	CAV	NBE	CAN	13.5°	179.7°
CAK	CAV	NBE	CAO	128.3°	55.9°
CAK	CAV	CAG	HAG1	179.3°	179.7°
CAI	CAG	CAV	HAG1	180.0°	180.0°
CAI	CAG	CAV	NBE	178.7°	179.9°
CAG	CAV	NBE	CAN	168.3°	0.0°
CAG	CAV	NBE	CAO	49.8°	123.8°
CAG	CAV	CAK	HAK1	179.0°	180.0°
CAV	CAG	CAI	HAI1	179.9°	180.0°
CAV	NBE	CAN	CAO	141.7°	123.9°
CAV	NBE	CAN	CAL	178.8°	176.8°
CAV	NBE	CAO	CAM	170.7°	176.8°
CAV	NBE	CAN	HAN2	58.6°	63.3°
CAV	NBE	CAN	HAN1	60.9°	56.9°
CAV	NBE	CAO	HAO2	69.5°	56.8°
CAV	NBE	CAO	HAO1	51.0°	63.2°
NBE	CAV	CAK	HAK1	1.0°	0.3°
NBE	CAV	CAG	HAG1	1.3°	0.1°
NBE	CAN	CAL	HAN2	120.3°	120.0°
NBE	CAN	CAL	HAN1	120.3°	120.0°
NBE	CAN	CAL	NBD	44.8°	58.4°
CAN	NBE	CAO	CAM	45.9°	59.4°
NBE	CAN	HAN2	HAN1	119.1°	120.1°
NBE	CAN	CAL	HAL2	75.8°	61.5°
NBE	CAN	CAL	HAL1	165.4°	178.3°
CAN	NBE	CAO	HAO2	73.8°	179.3°
CAN	NBE	CAO	HAO1	165.6°	60.7°
CAL	CAN	NBE	CAO	39.4°	59.3°
CAN	CAL	NBD	HAL2	120.6°	119.9°
CAN	CAL	NBD	HAL1	120.6°	120.0°
CAN	CAL	NBD	CAM	60.1°	59.3°
CAN	CAL	NBD	CAA	179.3°	176.8°
CAL	CAN	HAN2	HAN1	119.1°	120.0°
CAN	CAL	HAL2	HAL1	118.1°	120.1°
NBE	CAO	CAM	HAO2	119.8°	119.9°
NBE	CAO	CAM	HAO1	119.7°	120.0°
NBE	CAO	CAM	NBD	59.5°	58.4°
CAO	NBE	CAN	HAN2	159.7°	60.6°
CAO	NBE	CAN	HAN1	80.8°	179.3°
NBE	CAO	CAM	HAM2	179.7°	61.5°
NBE	CAO	CAM	HAM1	60.7°	178.4°
NBE	CAO	HAO2	HAO1	120.8°	120.0°
CAL	NBD	CAM	CAO	68.1°	59.3°
CAL	NBD	CAM	CAA	120.6°	123.9°
NBD	CAL	CAN	HAN2	165.1°	61.6°
NBD	CAL	CAN	HAN1	75.5°	178.4°
NBD	CAL	HAL2	HAL1	118.1°	120.0°
CAL	NBD	CAA	HAA2	180.0°	60.0°
CAL	NBD	CAA	HAA3	60.0°	180.0°
CAL	NBD	CAA	HAA1	60.0°	60.0°
CAL	NBD	CAM	HAM2	171.7°	60.7°
CAL	NBD	CAM	HAM1	52.1°	179.3°
CAO	CAM	NBD	HAM2	120.2°	120.0°
CAO	CAM	NBD	HAM1	120.2°	120.0°
CAO	CAM	NBD	CAA	171.3°	176.8°
CAO	CAM	HAM2	HAM1	119.4°	120.1°
CAM	CAO	HAO2	HAO1	120.8°	120.1°
CAM	NBD	CAL	HAL2	60.6°	60.7°
CAM	NBD	CAL	HAL1	179.3°	179.3°
CAM	NBD	CAA	HAA2	58.4°	176.2°
CAM	NBD	CAA	HAA3	61.6°	56.2°
CAM	NBD	CAA	HAA1	178.4°	63.8°
NBD	CAM	HAM2	HAM1	119.4°	120.0°
NBD	CAM	CAO	HAO2	60.2°	178.3°
NBD	CAM	CAO	HAO1	179.2°	61.6°
CAA	NBD	CAL	HAL2	60.1°	63.3°
CAA	NBD	CAL	HAL1	58.7°	56.8°
NBD	CAA	HAA2	HAA3	120.0°	120.0°
NBD	CAA	HAA2	HAA1	120.0°	120.0°
NBD	CAA	HAA3	HAA1	120.0°	120.0°
CAA	NBD	CAM	HAM2	51.1°	63.2°
CAA	NBD	CAM	HAM1	68.5°	56.8°
HAN2	CAN	CAL	HAL2	44.4°	178.5°
HAN2	CAN	CAL	HAL1	74.3°	58.3°
HAN1	CAN	CAL	HAL2	163.9°	58.4°
HAN1	CAN	CAL	HAL1	45.1°	61.7°
HAA2	CAA	HAA3	HAA1	120.0°	119.9°
HAM2	CAM	CAO	HAO2	60.0°	58.4°
HAM2	CAM	CAO	HAO1	60.6°	178.5°
HAM1	CAM	CAO	HAO2	179.5°	61.7°
HAM1	CAM	CAO	HAO1	59.0°	58.4°
HAG1	CAG	CAI	HAI1	0.1°	0.0°
HAF1	CAF	CAH	HAH1	1.3°	0.0°
HAD1	CAD	CAB	HAB1	0.6°	0.2°
HAB1	CAB	CAC	HAC1	0.0°	0.3°
HAC1	CAC	CAE	HAE1	0.1°	0.2°

Release date:	2016-05-04
Definition date:	2015-04-02
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	4Z4B