GZT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	NAB	sing	1.46Å	1.47Å
NAB	CAC	sing	1.35Å	1.34Å
OAF	CAE	doub	1.22Å	1.23Å
CAC	OAK	doub	1.22Å	1.23Å
CAC	CAD	sing	1.47Å	1.39Å
CAE	CAD	sing	1.42Å	1.38Å
CAE	NAJ	sing	1.35Å	1.33Å
CAD	CAG	doub	1.39Å	1.36Å
CAW	NAJ	sing	1.47Å	1.44Å
CAW	CAR	sing	1.51Å	1.40Å
NAJ	CAI	sing	1.35Å	1.34Å
CAG	CAH	sing	1.39Å	1.35Å
CAS	CAR	doub	1.38Å	1.36Å	Aromatic
CAS	CAT	sing	1.38Å	1.39Å	Aromatic
CAR	CAQ	sing	1.38Å	1.39Å	Aromatic
CAI	CAH	doub	1.36Å	1.36Å
CAT	CAO	doub	1.39Å	1.33Å	Aromatic
CAQ	CAP	doub	1.39Å	1.33Å	Aromatic
CAO	CAP	sing	1.39Å	1.34Å	Aromatic
CAO	OAN	sing	1.37Å	1.36Å
CAP	OAU	sing	1.37Å	1.36Å
OAN	CAM	sing	1.44Å	1.44Å
OAU	CAM	sing	1.44Å	1.44Å
CAM	FAL	sing	1.40Å	1.35Å
CAM	FAV	sing	1.40Å	1.35Å
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
NAB	H4	sing	0.97Å	1.00Å
CAG	H5	sing	1.08Å	1.08Å
CAH	H6	sing	1.08Å	1.08Å
CAI	H7	sing	1.08Å	1.08Å
CAW	H8	sing	1.09Å	1.10Å
CAW	H9	sing	1.09Å	1.10Å
CAQ	H10	sing	1.08Å	1.08Å
CAT	H11	sing	1.08Å	1.08Å
CAS	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAA	NAB	CAC	117.0°	120.0°
NAB	CAA	H1	109.5°	109.5°
NAB	CAA	H2	109.5°	109.5°
NAB	CAA	H3	109.5°	109.5°
CAA	NAB	H4	121.5°	120.0°
NAB	CAC	OAK	124.0°	120.0°
NAB	CAC	CAD	115.0°	120.0°
CAC	NAB	H4	121.5°	120.0°
OAF	CAE	CAD	120.7°	120.1°
OAF	CAE	NAJ	119.6°	120.1°
OAK	CAC	CAD	121.0°	120.0°
CAC	CAD	CAE	120.8°	120.6°
CAC	CAD	CAG	120.6°	120.6°
CAD	CAE	NAJ	119.6°	119.8°
CAE	CAD	CAG	118.6°	118.8°
CAE	NAJ	CAW	120.9°	119.5°
CAE	NAJ	CAI	121.1°	121.1°
CAD	CAG	CAH	121.3°	118.9°
CAD	CAG	H5	119.3°	120.5°
NAJ	CAW	CAR	107.8°	109.5°
CAW	NAJ	CAI	118.0°	119.5°
NAJ	CAW	H8	109.9°	109.5°
NAJ	CAW	H9	109.9°	109.5°
CAW	CAR	CAS	120.3°	119.9°
CAW	CAR	CAQ	120.8°	120.0°
CAR	CAW	H8	109.9°	109.5°
CAR	CAW	H9	109.9°	109.5°
NAJ	CAI	CAH	121.2°	121.2°
NAJ	CAI	H7	119.4°	119.4°
CAG	CAH	CAI	118.1°	120.1°
CAH	CAG	H5	119.3°	120.6°
CAG	CAH	H6	120.9°	119.9°
CAR	CAS	CAT	118.1°	120.2°
CAS	CAR	CAQ	119.0°	120.1°
CAR	CAS	H12	120.9°	119.9°
CAS	CAT	CAO	121.1°	120.1°
CAS	CAT	H11	119.5°	120.0°
CAT	CAS	H12	121.0°	120.0°
CAR	CAQ	CAP	120.7°	120.1°
CAR	CAQ	H10	119.6°	119.9°
CAI	CAH	H6	120.9°	119.9°
CAH	CAI	H7	119.4°	119.4°
CAT	CAO	CAP	120.5°	119.8°
CAT	CAO	OAN	126.8°	131.6°
CAO	CAT	H11	119.4°	119.9°
CAQ	CAP	CAO	120.5°	119.8°
CAQ	CAP	OAU	126.9°	131.5°
CAP	CAQ	H10	119.6°	120.0°
CAP	CAO	OAN	112.7°	108.6°
CAO	CAP	OAU	112.6°	108.6°
CAO	OAN	CAM	100.5°	105.5°
CAP	OAU	CAM	100.5°	105.5°
OAN	CAM	OAU	111.9°	103.8°
OAN	CAM	FAL	106.9°	110.6°
OAN	CAM	FAV	111.0°	110.7°
OAU	CAM	FAL	106.9°	110.6°
OAU	CAM	FAV	111.0°	110.5°
FAL	CAM	FAV	109.0°	110.5°
H1	CAA	H2	109.5°	109.4°
H1	CAA	H3	109.5°	109.5°
H2	CAA	H3	109.4°	109.5°
H8	CAW	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAA	NAB	CAC	H4	180.0°	180.0°
CAA	NAB	CAC	OAK	0.1°	5.1°
CAA	NAB	CAC	CAD	180.0°	174.9°
NAB	CAA	H1	H2	120.0°	120.0°
NAB	CAA	H1	H3	120.0°	120.0°
NAB	CAA	H2	H3	120.0°	120.0°
NAB	CAC	OAK	CAD	179.8°	180.0°
NAB	CAC	CAD	CAE	1.5°	6.2°
NAB	CAC	CAD	CAG	179.8°	174.1°
CAC	NAB	CAA	H1	180.0°	180.0°
CAC	NAB	CAA	H2	60.0°	60.0°
CAC	NAB	CAA	H3	60.0°	60.0°
OAF	CAE	CAD	CAC	2.9°	0.0°
OAF	CAE	CAD	NAJ	177.4°	180.0°
OAF	CAE	CAD	CAG	178.4°	179.7°
OAF	CAE	NAJ	CAW	0.7°	0.0°
OAF	CAE	NAJ	CAI	178.7°	180.0°
OAK	CAC	CAD	CAE	178.3°	173.8°
OAK	CAC	CAD	CAG	0.4°	5.9°
OAK	CAC	NAB	H4	179.9°	175.0°
CAC	CAD	CAE	CAG	178.7°	179.7°
CAC	CAD	CAE	NAJ	179.7°	180.0°
CAC	CAD	CAG	CAH	178.7°	180.0°
CAD	CAC	NAB	H4	0.1°	5.1°
CAC	CAD	CAG	H5	1.3°	0.1°
CAD	CAE	NAJ	CAW	176.7°	180.0°
CAD	CAE	NAJ	CAI	1.3°	0.0°
CAE	CAD	CAG	CAH	0.0°	0.3°
CAE	CAD	CAG	H5	180.0°	179.7°
NAJ	CAE	CAD	CAG	1.0°	0.3°
CAE	NAJ	CAW	CAI	178.1°	180.0°
CAE	NAJ	CAW	CAR	78.5°	90.0°
CAE	NAJ	CAI	CAH	0.6°	0.3°
CAE	NAJ	CAI	H7	179.4°	179.9°
CAE	NAJ	CAW	H8	41.2°	150.0°
CAE	NAJ	CAW	H9	161.7°	30.0°
CAD	CAG	CAH	H5	180.0°	180.0°
CAD	CAG	CAH	CAI	0.7°	0.0°
CAD	CAG	CAH	H6	179.3°	180.0°
NAJ	CAW	CAR	H8	119.7°	120.0°
NAJ	CAW	CAR	H9	119.7°	120.0°
NAJ	CAW	CAR	CAS	118.0°	90.3°
NAJ	CAW	CAR	CAQ	62.6°	90.0°
CAW	NAJ	CAI	CAH	177.5°	179.7°
CAW	NAJ	CAI	H7	2.5°	0.1°
NAJ	CAW	H8	H9	120.8°	120.0°
CAR	CAW	NAJ	CAI	99.6°	90.0°
CAW	CAR	CAS	CAQ	179.4°	179.8°
CAW	CAR	CAS	CAT	179.7°	179.7°
CAW	CAR	CAQ	CAP	179.7°	180.0°
CAR	CAW	H8	H9	120.8°	120.0°
CAW	CAR	CAQ	H10	0.4°	0.0°
CAW	CAR	CAS	H12	0.3°	0.1°
NAJ	CAI	CAH	CAG	0.4°	0.3°
NAJ	CAI	CAH	H7	180.0°	179.6°
NAJ	CAI	CAH	H6	179.6°	179.7°
CAI	NAJ	CAW	H8	140.7°	30.0°
CAI	NAJ	CAW	H9	20.2°	150.0°
CAG	CAH	CAI	H6	180.0°	180.0°
CAG	CAH	CAI	H7	179.6°	179.9°
CAR	CAS	CAT	H12	180.0°	179.8°
CAR	CAS	CAT	CAO	0.5°	0.6°
CAS	CAR	CAQ	CAP	0.9°	0.3°
CAS	CAR	CAW	H8	1.7°	149.7°
CAS	CAR	CAW	H9	122.2°	29.7°
CAS	CAR	CAQ	H10	179.0°	179.8°
CAR	CAS	CAT	H11	179.5°	179.8°
CAT	CAS	CAR	CAQ	0.3°	0.5°
CAS	CAT	CAO	H11	180.0°	179.6°
CAS	CAT	CAO	CAP	0.7°	0.4°
CAS	CAT	CAO	OAN	177.9°	179.7°
CAR	CAQ	CAP	H10	180.0°	180.0°
CAR	CAQ	CAP	CAO	0.8°	0.0°
CAR	CAQ	CAP	OAU	177.5°	180.0°
CAQ	CAR	CAW	H8	177.7°	30.0°
CAQ	CAR	CAW	H9	57.2°	150.0°
CAQ	CAR	CAS	H12	179.7°	179.7°
CAI	CAH	CAG	H5	179.3°	180.0°
CAT	CAO	CAP	CAQ	0.0°	0.1°
CAT	CAO	CAP	OAN	178.8°	179.9°
CAT	CAO	CAP	OAU	178.6°	180.0°
CAT	CAO	OAN	CAM	173.4°	162.7°
CAO	CAT	CAS	H12	179.5°	179.7°
CAQ	CAP	CAO	OAU	178.6°	179.9°
CAQ	CAP	CAO	OAN	178.8°	180.0°
CAQ	CAP	OAU	CAM	173.4°	162.7°
CAP	CAO	OAN	CAM	7.9°	17.3°
CAO	CAP	OAU	CAM	8.2°	17.3°
CAO	CAP	CAQ	H10	179.2°	180.0°
CAP	CAO	CAT	H11	179.4°	180.0°
OAN	CAO	CAP	OAU	0.2°	0.0°
CAO	OAN	CAM	OAU	13.2°	27.1°
CAO	OAN	CAM	FAL	103.5°	91.5°
CAO	OAN	CAM	FAV	137.8°	145.7°
OAN	CAO	CAT	H11	2.0°	0.1°
CAP	OAU	CAM	OAN	13.3°	27.2°
CAP	OAU	CAM	FAL	103.3°	91.4°
CAP	OAU	CAM	FAV	137.9°	145.8°
OAU	CAP	CAQ	H10	2.5°	0.0°
OAN	CAM	OAU	FAL	116.7°	118.6°
OAN	CAM	OAU	FAV	124.6°	118.7°
OAN	CAM	FAL	FAV	120.0°	122.9°
OAU	CAM	FAL	FAV	120.1°	122.7°
H1	CAA	H2	H3	120.0°	120.0°
H1	CAA	NAB	H4	0.0°	0.0°
H2	CAA	NAB	H4	120.0°	120.0°
H3	CAA	NAB	H4	120.0°	120.1°
H5	CAG	CAH	H6	0.7°	0.0°
H6	CAH	CAI	H7	0.4°	0.1°
H11	CAT	CAS	H12	0.5°	0.0°

Release date:	2019-02-27
Definition date:	2018-10-27
Last modified:	2019-02-22
Release status:	REL
Processing site:	EBI
Derived from:	6I15