W7P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAG	CAI	doub	1.38Å	1.37Å	Aromatic
CAG	CAQ	sing	1.38Å	1.35Å	Aromatic
CAI	CAR	sing	1.40Å	1.30Å	Aromatic
CAK	CAQ	sing	1.51Å	1.45Å
CAK	CAL	sing	1.53Å	1.60Å
CAQ	CAH	doub	1.38Å	1.39Å	Aromatic
CAR	CAO	sing	1.48Å	1.46Å
CAR	CAJ	doub	1.40Å	1.42Å	Aromatic
CAO	OAE	doub	1.22Å	1.31Å
CAO	OAA	sing	1.35Å	1.20Å
CAH	CAJ	sing	1.38Å	1.47Å	Aromatic
CAL	CAS	sing	1.51Å	1.52Å
OAD	CAV	doub	1.22Å	1.23Å
CAS	CAV	sing	1.47Å	1.41Å
CAS	CAT	doub	1.36Å	1.37Å
CAV	NAN	sing	1.35Å	1.39Å
OAF	CAP	doub	1.21Å	1.23Å
CAT	CAP	sing	1.48Å	1.47Å
CAT	NAM	sing	1.38Å	1.44Å
NAN	CAU	sing	1.34Å	1.37Å
CAP	OAB	sing	1.35Å	1.26Å
NAM	CAU	sing	1.34Å	1.39Å
CAU	OAC	doub	1.22Å	1.25Å
OAB	H1	sing	0.97Å	0.95Å
NAN	H2	sing	0.97Å	1.00Å
CAL	H4	sing	1.09Å	1.10Å
CAL	H5	sing	1.09Å	1.10Å
CAK	H6	sing	1.09Å	1.10Å
CAK	H7	sing	1.09Å	1.10Å
CAG	H8	sing	1.08Å	1.08Å
CAI	H9	sing	1.08Å	1.08Å
OAA	H10	sing	0.97Å	0.95Å
CAJ	H11	sing	1.08Å	1.08Å
CAH	H12	sing	1.08Å	1.08Å
NAM	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAI	CAG	CAQ	120.3°	120.2°
CAG	CAI	CAR	123.4°	119.8°
CAI	CAG	H8	119.8°	119.9°
CAG	CAI	H9	118.3°	120.1°
CAG	CAQ	CAK	114.7°	119.9°
CAG	CAQ	CAH	119.3°	120.3°
CAQ	CAG	H8	119.8°	119.9°
CAI	CAR	CAO	114.4°	120.1°
CAI	CAR	CAJ	121.3°	119.7°
CAR	CAI	H9	118.3°	120.1°
CAQ	CAK	CAL	112.2°	109.5°
CAK	CAQ	CAH	125.8°	119.8°
CAQ	CAK	H6	108.8°	109.5°
CAQ	CAK	H7	108.8°	109.5°
CAK	CAL	CAS	107.4°	109.5°
CAK	CAL	H4	110.0°	109.5°
CAK	CAL	H5	110.0°	109.5°
CAL	CAK	H6	108.8°	109.5°
CAL	CAK	H7	108.8°	109.4°
CAQ	CAH	CAJ	120.5°	120.2°
CAQ	CAH	H12	119.8°	119.9°
CAO	CAR	CAJ	124.3°	120.2°
CAR	CAO	OAE	127.1°	120.0°
CAR	CAO	OAA	115.3°	120.0°
CAR	CAJ	CAH	114.8°	119.8°
CAR	CAJ	H11	122.6°	120.0°
OAE	CAO	OAA	117.5°	120.0°
CAO	OAA	H10	109.5°	117.0°
CAH	CAJ	H11	122.6°	120.1°
CAJ	CAH	H12	119.8°	119.9°
CAL	CAS	CAV	118.3°	120.8°
CAL	CAS	CAT	123.2°	120.8°
CAS	CAL	H4	110.0°	109.5°
CAS	CAL	H5	110.0°	109.4°
OAD	CAV	CAS	124.9°	120.6°
OAD	CAV	NAN	116.5°	120.6°
CAV	CAS	CAT	118.4°	118.4°
CAS	CAV	NAN	118.6°	118.8°
CAS	CAT	CAP	126.0°	120.3°
CAS	CAT	NAM	122.0°	119.4°
CAV	NAN	CAU	123.9°	120.4°
CAV	NAN	H2	118.0°	119.7°
OAF	CAP	CAT	118.9°	119.9°
OAF	CAP	OAB	123.4°	120.0°
CAP	CAT	NAM	111.9°	120.2°
CAT	CAP	OAB	117.7°	120.0°
CAT	NAM	CAU	118.7°	121.1°
CAT	NAM	H13	120.6°	119.4°
NAN	CAU	NAM	118.2°	121.8°
NAN	CAU	OAC	119.6°	119.1°
CAU	NAN	H2	118.0°	119.8°
CAP	OAB	H1	109.5°	117.0°
NAM	CAU	OAC	122.0°	119.1°
CAU	NAM	H13	120.7°	119.5°
H4	CAL	H5	109.5°	109.4°
H6	CAK	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAI	CAG	CAQ	H8	180.0°	180.0°
CAG	CAI	CAR	H9	180.0°	180.0°
CAI	CAG	CAQ	CAK	179.2°	180.0°
CAI	CAG	CAQ	CAH	3.5°	0.3°
CAG	CAI	CAR	CAO	179.2°	180.0°
CAG	CAI	CAR	CAJ	3.8°	0.0°
CAQ	CAG	CAI	CAR	2.9°	0.0°
CAG	CAQ	CAK	CAH	175.4°	179.7°
CAG	CAQ	CAK	CAL	72.6°	89.7°
CAG	CAQ	CAH	CAJ	5.1°	0.5°
CAG	CAQ	CAK	H6	167.0°	150.2°
CAG	CAQ	CAK	H7	47.8°	30.3°
CAQ	CAG	CAI	H9	177.1°	180.0°
CAG	CAQ	CAH	H12	174.8°	179.7°
CAI	CAR	CAO	CAJ	176.9°	180.0°
CAI	CAR	CAO	OAE	11.3°	0.0°
CAI	CAR	CAO	OAA	173.5°	180.0°
CAI	CAR	CAJ	CAH	5.0°	0.3°
CAR	CAI	CAG	H8	177.2°	180.0°
CAI	CAR	CAJ	H11	175.0°	180.0°
CAQ	CAK	CAL	H6	120.4°	120.1°
CAQ	CAK	CAL	H7	120.4°	120.0°
CAK	CAQ	CAH	CAJ	179.6°	179.7°
CAQ	CAK	CAL	CAS	65.4°	180.0°
CAQ	CAK	CAL	H4	175.0°	60.0°
CAQ	CAK	CAL	H5	54.3°	60.0°
CAQ	CAK	H6	H7	118.7°	120.0°
CAK	CAQ	CAG	H8	0.8°	0.0°
CAK	CAQ	CAH	H12	0.4°	0.0°
CAL	CAK	CAQ	CAH	102.8°	90.1°
CAK	CAL	CAS	H4	119.7°	120.1°
CAK	CAL	CAS	H5	119.7°	120.0°
CAK	CAL	CAS	CAV	69.8°	88.2°
CAK	CAL	CAS	CAT	108.6°	91.3°
CAK	CAL	H4	H5	121.0°	120.0°
CAL	CAK	H6	H7	118.8°	119.9°
CAQ	CAH	CAJ	CAR	5.7°	0.5°
CAQ	CAH	CAJ	H12	180.0°	179.8°
CAH	CAQ	CAK	H6	17.6°	30.0°
CAH	CAQ	CAK	H7	136.8°	150.0°
CAH	CAQ	CAG	H8	176.5°	179.7°
CAQ	CAH	CAJ	H11	174.3°	179.8°
CAR	CAO	OAE	OAA	175.1°	180.0°
CAO	CAR	CAJ	CAH	178.3°	179.7°
CAO	CAR	CAI	H9	0.8°	0.1°
CAR	CAO	OAA	H10	175.7°	180.0°
CAO	CAR	CAJ	H11	1.7°	0.0°
CAJ	CAR	CAO	OAE	171.8°	180.0°
CAJ	CAR	CAO	OAA	3.4°	0.0°
CAR	CAJ	CAH	H11	180.0°	179.7°
CAJ	CAR	CAI	H9	176.2°	180.0°
CAR	CAJ	CAH	H12	174.2°	179.7°
OAE	CAO	OAA	H10	0.0°	0.0°
CAL	CAS	CAV	OAD	2.7°	0.2°
CAL	CAS	CAV	CAT	178.5°	179.6°
CAL	CAS	CAV	NAN	176.5°	180.0°
CAL	CAS	CAT	CAP	1.8°	0.3°
CAL	CAS	CAT	NAM	178.9°	180.0°
CAS	CAL	H4	H5	121.0°	119.9°
CAS	CAL	CAK	H6	55.0°	59.9°
CAS	CAL	CAK	H7	174.2°	60.0°
OAD	CAV	CAS	NAN	179.2°	179.9°
OAD	CAV	CAS	CAT	178.9°	179.7°
OAD	CAV	NAN	CAU	176.6°	180.0°
OAD	CAV	NAN	H2	3.3°	0.0°
CAV	CAS	CAT	CAP	176.6°	179.8°
CAV	CAS	CAT	NAM	0.5°	0.5°
CAS	CAV	NAN	CAU	4.1°	0.1°
CAS	CAV	NAN	H2	175.9°	179.8°
CAV	CAS	CAL	H4	49.9°	31.8°
CAV	CAS	CAL	H5	170.5°	151.8°
CAT	CAS	CAV	NAN	2.0°	0.4°
CAS	CAT	CAP	OAF	50.0°	6.3°
CAS	CAT	CAP	NAM	177.3°	179.7°
CAS	CAT	CAP	OAB	130.4°	173.7°
CAS	CAT	NAM	CAU	1.0°	0.2°
CAT	CAS	CAL	H4	131.7°	148.6°
CAT	CAS	CAL	H5	11.1°	28.7°
CAS	CAT	NAM	H13	179.0°	179.7°
CAV	NAN	CAU	H2	180.0°	180.0°
CAV	NAN	CAU	NAM	3.5°	0.1°
CAV	NAN	CAU	OAC	179.7°	180.0°
OAF	CAP	CAT	OAB	179.7°	180.0°
OAF	CAP	CAT	NAM	132.7°	174.0°
OAF	CAP	OAB	H1	0.0°	0.0°
CAP	CAT	NAM	CAU	176.4°	180.0°
CAT	CAP	OAB	H1	179.7°	180.0°
CAP	CAT	NAM	H13	3.6°	0.0°
CAT	NAM	CAU	NAN	0.9°	0.0°
NAM	CAT	CAP	OAB	47.0°	6.0°
CAT	NAM	CAU	H13	180.0°	179.9°
CAT	NAM	CAU	OAC	177.0°	180.0°
NAN	CAU	NAM	OAC	176.1°	180.0°
NAN	CAU	NAM	H13	179.1°	180.0°
NAM	CAU	NAN	H2	176.5°	180.0°
OAC	CAU	NAN	H2	0.3°	0.0°
OAC	CAU	NAM	H13	3.0°	0.1°
H4	CAL	CAK	H6	64.6°	180.0°
H4	CAL	CAK	H7	54.5°	60.0°
H5	CAL	CAK	H6	174.7°	60.0°
H5	CAL	CAK	H7	66.1°	180.0°
H8	CAG	CAI	H9	2.9°	0.0°
H11	CAJ	CAH	H12	5.8°	0.0°

Release date:	2014-03-05
Definition date:	2013-03-13
Last modified:	2014-02-28
Release status:	REL
Processing site:	PDBJ
Derived from:	3W7P