ZRO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FAF	CAW	sing	1.40Å	1.33Å
FAG	CAW	sing	1.40Å	1.39Å
CAW	FAE	sing	1.40Å	1.52Å
CAW	CAR	sing	1.51Å	1.50Å
CAR	CAK	doub	1.38Å	1.42Å	Aromatic
CAR	CAJ	sing	1.38Å	1.41Å	Aromatic
CAK	CAI	sing	1.38Å	1.40Å	Aromatic
CAJ	CAH	doub	1.38Å	1.43Å	Aromatic
CAI	CAQ	doub	1.38Å	1.39Å	Aromatic
CAH	CAQ	sing	1.38Å	1.43Å	Aromatic
CAQ	CAL	sing	1.51Å	1.46Å
CAL	CAM	sing	1.53Å	1.58Å
CAM	CAT	sing	1.51Å	1.52Å
OAC	CAV	doub	1.22Å	1.25Å
CAT	CAV	sing	1.47Å	1.40Å
CAT	CAS	doub	1.36Å	1.35Å
CAV	NAO	sing	1.35Å	1.41Å
CAS	CAP	sing	1.48Å	1.48Å
CAS	NAN	sing	1.38Å	1.40Å
OAA	CAP	doub	1.21Å	1.25Å
CAP	OAD	sing	1.35Å	1.26Å
NAO	CAU	sing	1.34Å	1.34Å
NAN	CAU	sing	1.34Å	1.39Å
CAU	OAB	doub	1.22Å	1.27Å
OAD	H1	sing	0.97Å	0.95Å
NAO	H2	sing	0.97Å	1.00Å
CAM	H4	sing	1.09Å	1.10Å
CAM	H5	sing	1.09Å	1.10Å
CAL	H6	sing	1.09Å	1.10Å
CAL	H7	sing	1.09Å	1.10Å
CAH	H8	sing	1.08Å	1.08Å
CAJ	H9	sing	1.08Å	1.08Å
CAK	H10	sing	1.08Å	1.08Å
CAI	H11	sing	1.08Å	1.08Å
NAN	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FAF	CAW	FAG	113.9°	109.5°
FAF	CAW	FAE	102.2°	109.5°
FAF	CAW	CAR	119.2°	109.5°
FAG	CAW	FAE	101.1°	109.4°
FAG	CAW	CAR	112.6°	109.5°
FAE	CAW	CAR	105.0°	109.5°
CAW	CAR	CAK	118.7°	120.0°
CAW	CAR	CAJ	122.6°	120.0°
CAK	CAR	CAJ	118.5°	120.0°
CAR	CAK	CAI	119.0°	120.0°
CAR	CAK	H10	120.5°	120.0°
CAR	CAJ	CAH	121.8°	120.0°
CAR	CAJ	H9	119.1°	120.0°
CAK	CAI	CAQ	123.9°	120.0°
CAI	CAK	H10	120.5°	120.0°
CAK	CAI	H11	118.1°	120.1°
CAJ	CAH	CAQ	118.7°	120.0°
CAJ	CAH	H8	120.7°	120.1°
CAH	CAJ	H9	119.1°	120.0°
CAI	CAQ	CAH	118.1°	120.0°
CAI	CAQ	CAL	121.6°	120.0°
CAQ	CAI	H11	118.1°	120.0°
CAH	CAQ	CAL	120.0°	120.0°
CAQ	CAH	H8	120.6°	120.0°
CAQ	CAL	CAM	115.2°	109.5°
CAQ	CAL	H6	108.0°	109.5°
CAQ	CAL	H7	108.0°	109.5°
CAL	CAM	CAT	109.0°	109.4°
CAL	CAM	H4	109.6°	109.5°
CAL	CAM	H5	109.6°	109.5°
CAM	CAL	H6	108.1°	109.5°
CAM	CAL	H7	108.1°	109.5°
CAM	CAT	CAV	117.3°	120.9°
CAM	CAT	CAS	121.3°	120.8°
CAT	CAM	H4	109.6°	109.4°
CAT	CAM	H5	109.6°	109.5°
OAC	CAV	CAT	127.0°	120.5°
OAC	CAV	NAO	115.6°	120.6°
CAV	CAT	CAS	121.4°	118.4°
CAT	CAV	NAO	117.0°	118.9°
CAT	CAS	CAP	127.6°	120.3°
CAT	CAS	NAN	118.5°	119.4°
CAV	NAO	CAU	122.8°	120.4°
CAV	NAO	H2	118.6°	119.8°
CAP	CAS	NAN	113.5°	120.3°
CAS	CAP	OAA	116.0°	120.0°
CAS	CAP	OAD	117.0°	120.0°
CAS	NAN	CAU	122.1°	121.2°
CAS	NAN	H12	118.9°	119.4°
OAA	CAP	OAD	126.9°	120.0°
CAP	OAD	H1	109.5°	117.0°
NAO	CAU	NAN	117.6°	121.8°
NAO	CAU	OAB	120.3°	119.1°
CAU	NAO	H2	118.6°	119.8°
NAN	CAU	OAB	122.1°	119.1°
CAU	NAN	H12	119.0°	119.4°
H4	CAM	H5	109.5°	109.5°
H6	CAL	H7	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
FAF	CAW	FAG	FAE	108.8°	120.0°
FAF	CAW	FAG	CAR	139.7°	120.1°
FAF	CAW	FAE	CAR	125.1°	120.0°
FAF	CAW	CAR	CAK	20.8°	150.0°
FAF	CAW	CAR	CAJ	164.9°	30.2°
FAG	CAW	FAE	CAR	117.2°	120.0°
FAG	CAW	CAR	CAK	158.2°	30.0°
FAG	CAW	CAR	CAJ	27.5°	150.3°
FAE	CAW	CAR	CAK	92.8°	90.0°
FAE	CAW	CAR	CAJ	81.6°	89.8°
CAW	CAR	CAK	CAJ	174.6°	179.8°
CAW	CAR	CAK	CAI	176.1°	179.9°
CAW	CAR	CAJ	CAH	173.6°	179.8°
CAW	CAR	CAJ	H9	6.4°	0.2°
CAW	CAR	CAK	H10	3.9°	0.3°
CAR	CAK	CAI	H10	180.0°	179.7°
CAK	CAR	CAJ	CAH	0.7°	0.0°
CAR	CAK	CAI	CAQ	1.1°	0.6°
CAK	CAR	CAJ	H9	179.3°	180.0°
CAR	CAK	CAI	H11	178.9°	180.0°
CAJ	CAR	CAK	CAI	1.6°	0.3°
CAR	CAJ	CAH	H9	180.0°	180.0°
CAR	CAJ	CAH	CAQ	3.5°	0.0°
CAR	CAJ	CAH	H8	176.5°	180.0°
CAJ	CAR	CAK	H10	178.5°	180.0°
CAK	CAI	CAQ	H11	180.0°	179.4°
CAK	CAI	CAQ	CAH	1.8°	0.6°
CAK	CAI	CAQ	CAL	175.0°	179.7°
CAJ	CAH	CAQ	CAI	4.0°	0.3°
CAJ	CAH	CAQ	H8	180.0°	180.0°
CAJ	CAH	CAQ	CAL	177.3°	180.0°
CAI	CAQ	CAH	CAL	173.3°	179.8°
CAI	CAQ	CAL	CAM	81.9°	90.2°
CAI	CAQ	CAL	H6	157.3°	149.7°
CAI	CAQ	CAL	H7	39.0°	29.7°
CAI	CAQ	CAH	H8	176.1°	179.8°
CAQ	CAI	CAK	H10	179.0°	179.7°
CAH	CAQ	CAL	CAM	91.2°	90.0°
CAH	CAQ	CAL	H6	29.7°	30.0°
CAH	CAQ	CAL	H7	147.9°	150.0°
CAQ	CAH	CAJ	H9	176.5°	180.0°
CAH	CAQ	CAI	H11	178.2°	180.0°
CAQ	CAL	CAM	H6	120.9°	120.0°
CAQ	CAL	CAM	H7	120.8°	120.0°
CAQ	CAL	CAM	CAT	160.1°	180.0°
CAQ	CAL	CAM	H4	79.9°	60.0°
CAQ	CAL	CAM	H5	40.2°	60.0°
CAQ	CAL	H6	H7	117.4°	120.0°
CAL	CAQ	CAH	H8	2.7°	0.0°
CAL	CAQ	CAI	H11	5.0°	0.2°
CAL	CAM	CAT	H4	120.0°	120.0°
CAL	CAM	CAT	H5	119.9°	120.0°
CAL	CAM	CAT	CAV	78.5°	88.1°
CAL	CAM	CAT	CAS	104.1°	91.3°
CAL	CAM	H4	H5	120.2°	120.0°
CAM	CAL	H6	H7	117.4°	120.0°
CAM	CAT	CAV	OAC	0.7°	0.3°
CAM	CAT	CAV	CAS	177.4°	179.5°
CAM	CAT	CAV	NAO	173.3°	180.0°
CAM	CAT	CAS	CAP	3.9°	0.3°
CAM	CAT	CAS	NAN	176.1°	180.0°
CAT	CAM	H4	H5	120.2°	120.0°
CAT	CAM	CAL	H6	39.3°	60.0°
CAT	CAM	CAL	H7	79.0°	60.0°
OAC	CAV	CAT	NAO	172.6°	179.7°
OAC	CAV	CAT	CAS	178.1°	179.7°
OAC	CAV	NAO	CAU	179.9°	180.0°
OAC	CAV	NAO	H2	0.1°	0.0°
CAV	CAT	CAS	CAP	178.8°	179.8°
CAV	CAT	CAS	NAN	6.6°	0.6°
CAT	CAV	NAO	CAU	6.6°	0.3°
CAT	CAV	NAO	H2	173.4°	179.7°
CAV	CAT	CAM	H4	41.5°	31.9°
CAV	CAT	CAM	H5	161.6°	151.9°
CAS	CAT	CAV	NAO	9.2°	0.5°
CAT	CAS	CAP	NAN	172.5°	179.7°
CAT	CAS	CAP	OAA	62.1°	6.3°
CAT	CAS	CAP	OAD	121.4°	173.4°
CAT	CAS	NAN	CAU	1.0°	0.3°
CAS	CAT	CAM	H4	136.0°	148.7°
CAS	CAT	CAM	H5	15.8°	28.6°
CAT	CAS	NAN	H12	179.0°	179.7°
CAV	NAO	CAU	H2	180.0°	180.0°
CAV	NAO	CAU	NAN	1.4°	0.0°
CAV	NAO	CAU	OAB	179.7°	179.9°
CAS	CAP	OAA	OAD	176.1°	179.8°
CAP	CAS	NAN	CAU	174.2°	180.0°
CAS	CAP	OAD	H1	176.0°	179.8°
CAP	CAS	NAN	H12	5.8°	0.1°
NAN	CAS	CAP	OAA	125.4°	174.0°
NAN	CAS	CAP	OAD	51.1°	6.3°
CAS	NAN	CAU	NAO	1.6°	0.0°
CAS	NAN	CAU	H12	180.0°	179.9°
CAS	NAN	CAU	OAB	177.3°	180.0°
OAA	CAP	OAD	H1	0.0°	0.0°
NAO	CAU	NAN	OAB	178.9°	179.9°
NAO	CAU	NAN	H12	178.4°	180.0°
NAN	CAU	NAO	H2	178.6°	180.0°
OAB	CAU	NAO	H2	0.3°	0.0°
OAB	CAU	NAN	H12	2.7°	0.1°
H4	CAM	CAL	H6	159.2°	NaN°
H4	CAM	CAL	H7	40.9°	60.0°
H5	CAM	CAL	H6	80.6°	60.0°
H5	CAM	CAL	H7	161.0°	NaN°
H8	CAH	CAJ	H9	3.5°	0.1°
H10	CAK	CAI	H11	1.0°	0.3°

Release date:	2013-12-04
Definition date:	2012-12-03
Last modified:	2013-11-29
Release status:	REL
Processing site:	PDBJ
Derived from:	3W2M