Y06

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAU	PAR	doub	1.48Å	1.54Å
CL1	CAG	sing	1.74Å	1.69Å
OAK	CAA	sing	1.43Å	1.44Å
OAK	CAL	sing	1.36Å	1.38Å
CAA	CAB	sing	1.51Å	1.55Å
CAF	CAG	doub	1.38Å	1.41Å	Aromatic
CAF	CAE	sing	1.39Å	1.40Å	Aromatic
CAQ	CAL	doub	1.39Å	1.41Å	Aromatic
CAQ	CAP	sing	1.38Å	1.42Å	Aromatic
CAL	CAM	sing	1.39Å	1.39Å	Aromatic
OAD	CAB	doub	1.21Å	1.23Å
CAB	NAC	sing	1.35Å	1.36Å
CAP	CAO	doub	1.38Å	1.41Å	Aromatic
CAG	CAH	sing	1.38Å	1.40Å	Aromatic
CAM	PAR	sing	1.81Å	1.86Å
CAM	CAN	doub	1.38Å	1.40Å	Aromatic
PAR	OAS	sing	1.61Å	1.57Å
PAR	OAT	sing	1.61Å	1.51Å
NAC	CAE	sing	1.40Å	1.35Å
CAO	CAN	sing	1.38Å	1.42Å	Aromatic
CAE	CAJ	doub	1.39Å	1.40Å	Aromatic
CAH	CAI	doub	1.38Å	1.38Å	Aromatic
CAJ	CAI	sing	1.38Å	1.41Å	Aromatic
OAS	H1	sing	0.97Å	0.95Å
OAT	H2	sing	0.97Å	0.95Å
CAN	H3	sing	1.08Å	1.08Å
CAO	H4	sing	1.08Å	1.08Å
CAP	H5	sing	1.08Å	1.08Å
CAQ	H6	sing	1.08Å	1.08Å
CAA	H7	sing	1.09Å	1.10Å
CAA	H8	sing	1.09Å	1.10Å
NAC	H9	sing	0.97Å	1.00Å
CAF	H10	sing	1.08Å	1.08Å
CAH	H11	sing	1.08Å	1.08Å
CAI	H12	sing	1.08Å	1.08Å
CAJ	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAU	PAR	CAM	108.0°	109.5°
OAU	PAR	OAS	113.0°	109.5°
OAU	PAR	OAT	111.8°	109.4°
CL1	CAG	CAF	117.1°	120.0°
CL1	CAG	CAH	118.3°	120.0°
CAA	OAK	CAL	119.4°	117.0°
OAK	CAA	CAB	108.2°	109.5°
OAK	CAA	H7	109.8°	109.5°
OAK	CAA	H8	109.8°	109.4°
OAK	CAL	CAQ	121.3°	120.0°
OAK	CAL	CAM	116.3°	120.1°
CAA	CAB	OAD	119.6°	120.0°
CAA	CAB	NAC	114.6°	120.0°
CAB	CAA	H7	109.8°	109.5°
CAB	CAA	H8	109.8°	109.5°
CAG	CAF	CAE	117.0°	119.9°
CAF	CAG	CAH	124.6°	120.0°
CAG	CAF	H10	121.5°	120.0°
CAF	CAE	NAC	122.9°	120.0°
CAF	CAE	CAJ	118.7°	119.8°
CAE	CAF	H10	121.5°	120.0°
CAL	CAQ	CAP	117.3°	119.9°
CAQ	CAL	CAM	122.3°	119.9°
CAL	CAQ	H6	121.3°	120.1°
CAQ	CAP	CAO	119.8°	120.1°
CAQ	CAP	H5	120.1°	119.9°
CAP	CAQ	H6	121.4°	120.0°
CAL	CAM	PAR	119.1°	120.0°
CAL	CAM	CAN	121.6°	119.9°
OAD	CAB	NAC	125.8°	120.0°
CAB	NAC	CAE	123.4°	120.0°
CAB	NAC	H9	118.3°	120.0°
CAP	CAO	CAN	122.3°	120.1°
CAP	CAO	H4	118.9°	120.0°
CAO	CAP	H5	120.1°	120.0°
CAG	CAH	CAI	117.9°	120.1°
CAG	CAH	H11	121.1°	120.0°
PAR	CAM	CAN	119.3°	120.1°
CAM	PAR	OAS	107.3°	109.5°
CAM	PAR	OAT	110.6°	109.5°
CAM	CAN	CAO	116.6°	120.1°
CAM	CAN	H3	121.7°	119.9°
OAS	PAR	OAT	106.0°	109.5°
PAR	OAS	H1	109.5°	114.0°
PAR	OAT	H2	109.5°	114.0°
NAC	CAE	CAJ	118.3°	120.1°
CAE	NAC	H9	118.3°	120.0°
CAO	CAN	H3	121.7°	120.0°
CAN	CAO	H4	118.8°	119.9°
CAE	CAJ	CAI	123.3°	120.0°
CAE	CAJ	H13	118.4°	120.0°
CAH	CAI	CAJ	118.6°	120.1°
CAI	CAH	H11	121.1°	119.9°
CAH	CAI	H12	120.7°	119.9°
CAJ	CAI	H12	120.7°	120.0°
CAI	CAJ	H13	118.4°	120.0°
H7	CAA	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAU	PAR	CAM	CAL	63.9°	149.7°
OAU	PAR	CAM	OAS	122.1°	120.0°
OAU	PAR	CAM	OAT	122.7°	120.0°
OAU	PAR	CAM	CAN	117.3°	30.0°
OAU	PAR	OAS	OAT	122.8°	119.9°
OAU	PAR	OAS	H1	0.0°	60.0°
OAU	PAR	OAT	H2	0.0°	179.9°
CL1	CAG	CAF	CAH	178.8°	179.9°
CL1	CAG	CAF	CAE	178.2°	180.0°
CL1	CAG	CAH	CAI	178.8°	180.0°
CL1	CAG	CAF	H10	1.8°	0.1°
CL1	CAG	CAH	H11	1.2°	0.0°
OAK	CAA	CAB	H7	119.8°	120.0°
OAK	CAA	CAB	H8	119.8°	120.0°
CAA	OAK	CAL	CAQ	27.2°	0.0°
CAA	OAK	CAL	CAM	153.5°	179.4°
OAK	CAA	CAB	OAD	164.5°	0.0°
OAK	CAA	CAB	NAC	17.9°	180.0°
OAK	CAA	H7	H8	120.6°	120.0°
CAL	OAK	CAA	CAB	153.0°	180.0°
OAK	CAL	CAQ	CAM	179.3°	179.4°
OAK	CAL	CAQ	CAP	178.8°	180.0°
OAK	CAL	CAM	PAR	1.5°	0.3°
OAK	CAL	CAM	CAN	179.8°	180.0°
OAK	CAL	CAQ	H6	1.1°	0.6°
CAL	OAK	CAA	H7	87.2°	59.9°
CAL	OAK	CAA	H8	33.2°	60.0°
CAA	CAB	OAD	NAC	177.4°	180.0°
CAA	CAB	NAC	CAE	176.5°	175.4°
CAB	CAA	H7	H8	120.6°	120.0°
CAA	CAB	NAC	H9	3.5°	4.6°
CAG	CAF	CAE	H10	180.0°	179.9°
CAG	CAF	CAE	NAC	177.6°	180.0°
CAG	CAF	CAE	CAJ	1.2°	0.3°
CAF	CAG	CAH	CAI	0.0°	0.1°
CAF	CAG	CAH	H11	180.0°	180.0°
CAF	CAE	NAC	CAB	63.2°	144.7°
CAE	CAF	CAG	CAH	0.6°	0.1°
CAF	CAE	NAC	CAJ	176.3°	179.7°
CAF	CAE	CAJ	CAI	1.4°	0.5°
CAF	CAE	NAC	H9	116.8°	35.4°
CAF	CAE	CAJ	H13	178.7°	179.7°
CAL	CAQ	CAP	H6	180.0°	179.3°
CAL	CAQ	CAP	CAO	0.7°	0.3°
CAQ	CAL	CAM	PAR	179.2°	179.7°
CAQ	CAL	CAM	CAN	0.5°	0.6°
CAL	CAQ	CAP	H5	179.3°	179.7°
CAP	CAQ	CAL	CAM	0.4°	0.6°
CAQ	CAP	CAO	H5	180.0°	180.0°
CAQ	CAP	CAO	CAN	0.0°	0.0°
CAQ	CAP	CAO	H4	180.0°	180.0°
CAL	CAM	PAR	CAN	178.8°	179.8°
CAL	CAM	PAR	OAS	174.0°	90.3°
CAL	CAM	PAR	OAT	58.8°	29.7°
CAL	CAM	CAN	CAO	1.1°	0.2°
CAL	CAM	CAN	H3	178.9°	179.7°
CAM	CAL	CAQ	H6	179.6°	180.0°
OAD	CAB	NAC	CAE	1.0°	4.6°
OAD	CAB	CAA	H7	44.7°	120.0°
OAD	CAB	CAA	H8	75.8°	120.0°
OAD	CAB	NAC	H9	179.0°	175.4°
CAB	NAC	CAE	H9	180.0°	180.0°
CAB	NAC	CAE	CAJ	120.5°	35.0°
NAC	CAB	CAA	H7	137.6°	60.0°
NAC	CAB	CAA	H8	101.9°	60.0°
CAP	CAO	CAN	CAM	0.8°	0.0°
CAP	CAO	CAN	H4	180.0°	180.0°
CAP	CAO	CAN	H3	179.2°	180.0°
CAO	CAP	CAQ	H6	179.3°	179.7°
CAG	CAH	CAI	H11	180.0°	180.0°
CAG	CAH	CAI	CAJ	0.0°	0.3°
CAH	CAG	CAF	H10	179.4°	180.0°
CAG	CAH	CAI	H12	180.0°	179.9°
CAM	PAR	OAS	OAT	118.2°	120.0°
PAR	CAM	CAN	CAO	179.8°	180.0°
CAM	PAR	OAS	H1	118.9°	180.0°
CAM	PAR	OAT	H2	120.4°	59.9°
PAR	CAM	CAN	H3	0.2°	0.0°
CAN	CAM	PAR	OAS	4.8°	90.0°
CAN	CAM	PAR	OAT	120.0°	150.0°
CAM	CAN	CAO	H3	180.0°	180.0°
CAM	CAN	CAO	H4	179.2°	180.0°
OAS	PAR	OAT	H2	123.6°	60.1°
OAT	PAR	OAS	H1	122.9°	60.0°
NAC	CAE	CAJ	CAI	177.9°	179.8°
NAC	CAE	CAF	H10	2.4°	0.1°
NAC	CAE	CAJ	H13	2.2°	0.0°
CAN	CAO	CAP	H5	179.9°	180.0°
CAE	CAJ	CAI	CAH	0.7°	0.5°
CAE	CAJ	CAI	H13	180.0°	179.8°
CAJ	CAE	NAC	H9	59.5°	144.9°
CAJ	CAE	CAF	H10	178.7°	179.8°
CAE	CAJ	CAI	H12	179.3°	179.7°
CAH	CAI	CAJ	H12	180.0°	179.8°
CAH	CAI	CAJ	H13	179.3°	179.7°
CAJ	CAI	CAH	H11	180.0°	179.7°
H3	CAN	CAO	H4	0.8°	0.0°
H4	CAO	CAP	H5	0.1°	0.0°
H5	CAP	CAQ	H6	0.7°	0.4°
H11	CAH	CAI	H12	0.0°	0.0°
H12	CAI	CAJ	H13	0.7°	0.0°

Release date:	2013-07-31
Definition date:	2012-02-01
Last modified:	2013-07-26
Release status:	REL
Processing site:	RCSB
Derived from:	4DHQ