7EY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	doub	1.39Å	1.36Å	Aromatic
C4	N3	sing	1.34Å	1.34Å	Aromatic
C4	SAO	sing	1.76Å	1.63Å	Aromatic
C5	C6	sing	1.42Å	1.36Å	Aromatic
C5	CAS	sing	1.46Å	1.37Å	Aromatic
C6	N1	doub	1.33Å	1.34Å	Aromatic
C6	SAN	sing	1.76Å	1.78Å
N1	C2	sing	1.32Å	1.39Å	Aromatic
N3	C2	doub	1.31Å	1.38Å	Aromatic
OAB	CAP	doub	1.21Å	1.25Å
CAP	OAC	sing	1.34Å	1.25Å
CAP	CAK	sing	1.51Å	1.54Å
CAK	CAJ	sing	1.53Å	1.53Å
CAJ	SAN	sing	1.81Å	1.83Å
SAO	CAI	sing	1.75Å	1.62Å	Aromatic
CAI	CAS	doub	1.33Å	1.34Å	Aromatic
CAS	CAR	sing	1.48Å	1.34Å
CAR	CAG	doub	1.39Å	1.39Å	Aromatic
CAR	CAH	sing	1.39Å	1.39Å	Aromatic
CAG	CAE	sing	1.38Å	1.39Å	Aromatic
CAE	CAQ	doub	1.38Å	1.39Å	Aromatic
CAQ	CAA	sing	1.51Å	1.39Å
CAQ	CAF	sing	1.38Å	1.39Å	Aromatic
CAF	CAH	doub	1.38Å	1.39Å	Aromatic
OAC	H1	sing	0.97Å	0.95Å
CAK	H2	sing	1.09Å	1.10Å
CAK	H3	sing	1.09Å	1.10Å
CAJ	H4	sing	1.09Å	1.10Å
CAJ	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.08Å	1.08Å
CAI	H7	sing	1.08Å	1.08Å
CAG	H9	sing	1.08Å	1.08Å
CAE	H10	sing	1.08Å	1.08Å
CAA	H11	sing	1.09Å	1.10Å
CAA	H12	sing	1.09Å	1.10Å
CAA	H13	sing	1.09Å	1.10Å
CAF	H14	sing	1.08Å	1.08Å
CAH	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	N3	122.8°	119.0°
C5	C4	SAO	109.0°	109.9°
C4	C5	C6	117.6°	117.6°
C4	C5	CAS	110.5°	112.1°
N3	C4	SAO	128.2°	131.1°
C4	N3	C2	120.1°	121.1°
C4	SAO	CAI	97.1°	92.4°
C6	C5	CAS	132.0°	130.3°
C5	C6	N1	121.4°	119.0°
C5	C6	SAN	123.8°	120.5°
C5	CAS	CAI	116.4°	114.4°
C5	CAS	CAR	126.6°	122.9°
N1	C6	SAN	114.7°	120.5°
C6	N1	C2	121.2°	121.1°
C6	SAN	CAJ	101.9°	100.0°
N1	C2	N3	116.9°	122.2°
N1	C2	H6	121.5°	118.9°
N3	C2	H6	121.6°	118.9°
OAB	CAP	OAC	125.8°	119.9°
OAB	CAP	CAK	117.2°	120.0°
OAC	CAP	CAK	117.0°	120.0°
CAP	OAC	H1	109.5°	117.0°
CAP	CAK	CAJ	110.3°	109.5°
CAP	CAK	H2	109.3°	109.4°
CAP	CAK	H3	109.3°	109.5°
CAK	CAJ	SAN	112.8°	109.5°
CAJ	CAK	H2	109.2°	109.5°
CAJ	CAK	H3	109.3°	109.5°
CAK	CAJ	H4	108.6°	109.5°
CAK	CAJ	H5	108.6°	109.4°
SAN	CAJ	H4	108.6°	109.5°
SAN	CAJ	H5	108.6°	109.5°
SAO	CAI	CAS	107.0°	111.3°
SAO	CAI	H7	126.5°	124.3°
CAI	CAS	CAR	117.0°	122.8°
CAS	CAI	H7	126.5°	124.4°
CAS	CAR	CAG	121.0°	120.1°
CAS	CAR	CAH	119.5°	120.1°
CAG	CAR	CAH	119.4°	119.7°
CAR	CAG	CAE	119.9°	119.8°
CAR	CAG	H9	120.1°	120.1°
CAR	CAH	CAF	120.7°	119.9°
CAR	CAH	H15	119.7°	120.0°
CAG	CAE	CAQ	120.5°	120.1°
CAE	CAG	H9	120.0°	120.1°
CAG	CAE	H10	119.8°	119.9°
CAE	CAQ	CAA	120.2°	119.8°
CAE	CAQ	CAF	119.8°	120.3°
CAQ	CAE	H10	119.7°	120.0°
CAA	CAQ	CAF	120.0°	119.9°
CAQ	CAA	H11	109.5°	109.4°
CAQ	CAA	H12	109.4°	109.4°
CAQ	CAA	H13	109.5°	109.5°
CAQ	CAF	CAH	119.7°	120.1°
CAQ	CAF	H14	120.1°	120.0°
CAH	CAF	H14	120.2°	119.9°
CAF	CAH	H15	119.6°	120.1°
H2	CAK	H3	109.5°	109.4°
H4	CAJ	H5	109.5°	109.4°
H11	CAA	H12	109.5°	109.4°
H11	CAA	H13	109.5°	109.5°
H12	CAA	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	N3	SAO	180.0°	179.7°
C4	C5	C6	CAS	179.4°	180.0°
C4	C5	C6	N1	0.5°	0.0°
C4	C5	C6	SAN	180.0°	180.0°
C5	C4	N3	C2	0.2°	0.1°
C5	C4	SAO	CAI	0.0°	0.0°
C4	C5	CAS	CAI	0.4°	0.5°
C4	C5	CAS	CAR	179.3°	180.0°
N3	C4	C5	C6	0.3°	0.1°
N3	C4	C5	CAS	179.8°	180.0°
C4	N3	C2	N1	0.2°	0.0°
N3	C4	SAO	CAI	179.9°	179.7°
C4	N3	C2	H6	179.8°	179.9°
SAO	C4	C5	C6	179.7°	179.7°
SAO	C4	C5	CAS	0.2°	0.3°
SAO	C4	N3	C2	179.8°	179.6°
C4	SAO	CAI	CAS	0.3°	0.3°
C4	SAO	CAI	H7	179.7°	180.0°
C5	C6	N1	SAN	179.6°	180.0°
C5	C6	N1	C2	0.5°	0.0°
C5	C6	SAN	CAJ	157.3°	180.0°
C6	C5	CAS	CAI	179.8°	179.4°
C6	C5	CAS	CAR	1.3°	0.0°
CAS	C5	C6	N1	179.8°	180.0°
CAS	C5	C6	SAN	0.6°	0.0°
C5	CAS	CAI	SAO	0.4°	0.5°
C5	CAS	CAI	CAR	179.0°	179.5°
C5	CAS	CAR	CAG	100.7°	129.9°
C5	CAS	CAR	CAH	81.0°	50.2°
C5	CAS	CAI	H7	179.6°	179.8°
C6	N1	C2	N3	0.3°	0.0°
N1	C6	SAN	CAJ	23.2°	0.0°
C6	N1	C2	H6	179.7°	180.0°
SAN	C6	N1	C2	180.0°	180.0°
C6	SAN	CAJ	CAK	178.9°	180.0°
C6	SAN	CAJ	H4	60.6°	60.0°
C6	SAN	CAJ	H5	58.4°	60.0°
N1	C2	N3	H6	180.0°	179.9°
OAB	CAP	OAC	CAK	179.3°	180.0°
OAB	CAP	CAK	CAJ	90.9°	0.0°
OAB	CAP	OAC	H1	0.0°	0.0°
OAB	CAP	CAK	H2	149.0°	120.0°
OAB	CAP	CAK	H3	29.2°	120.1°
OAC	CAP	CAK	CAJ	89.7°	180.0°
OAC	CAP	CAK	H2	30.4°	60.0°
OAC	CAP	CAK	H3	150.1°	60.0°
CAP	CAK	CAJ	H2	120.1°	120.0°
CAP	CAK	CAJ	H3	120.1°	120.0°
CAP	CAK	CAJ	SAN	61.7°	180.0°
CAK	CAP	OAC	H1	179.3°	180.0°
CAP	CAK	H2	H3	119.6°	119.9°
CAP	CAK	CAJ	H4	58.8°	60.0°
CAP	CAK	CAJ	H5	177.9°	60.0°
CAK	CAJ	SAN	H4	120.5°	120.0°
CAK	CAJ	SAN	H5	120.5°	120.0°
CAJ	CAK	H2	H3	119.6°	120.0°
CAK	CAJ	H4	H5	118.5°	119.9°
SAN	CAJ	CAK	H2	178.2°	60.0°
SAN	CAJ	CAK	H3	58.5°	60.0°
SAN	CAJ	H4	H5	118.5°	120.0°
SAO	CAI	CAS	H7	180.0°	179.7°
SAO	CAI	CAS	CAR	179.4°	180.0°
CAI	CAS	CAR	CAG	80.5°	49.5°
CAI	CAS	CAR	CAH	97.8°	130.3°
CAS	CAR	CAG	CAH	178.3°	179.8°
CAS	CAR	CAG	CAE	179.4°	179.9°
CAS	CAR	CAH	CAF	179.7°	179.7°
CAR	CAS	CAI	H7	0.6°	0.3°
CAS	CAR	CAG	H9	0.6°	0.0°
CAS	CAR	CAH	H15	0.3°	0.0°
CAR	CAG	CAE	H9	180.0°	180.0°
CAR	CAG	CAE	CAQ	0.5°	0.0°
CAG	CAR	CAH	CAF	1.3°	0.5°
CAR	CAG	CAE	H10	179.5°	180.0°
CAG	CAR	CAH	H15	178.6°	179.8°
CAH	CAR	CAG	CAE	1.1°	0.2°
CAR	CAH	CAF	CAQ	1.0°	0.5°
CAR	CAH	CAF	H15	180.0°	179.8°
CAH	CAR	CAG	H9	178.9°	179.8°
CAR	CAH	CAF	H14	179.0°	179.8°
CAG	CAE	CAQ	H10	180.0°	179.9°
CAG	CAE	CAQ	CAA	180.0°	180.0°
CAG	CAE	CAQ	CAF	0.2°	0.0°
CAE	CAQ	CAA	CAF	179.9°	180.0°
CAE	CAQ	CAF	CAH	0.4°	0.2°
CAQ	CAE	CAG	H9	179.5°	180.0°
CAE	CAQ	CAA	H11	90.0°	90.1°
CAE	CAQ	CAA	H12	149.9°	150.0°
CAE	CAQ	CAA	H13	30.0°	30.0°
CAE	CAQ	CAF	H14	179.6°	180.0°
CAA	CAQ	CAF	CAH	179.7°	179.8°
CAA	CAQ	CAE	H10	0.0°	0.1°
CAQ	CAA	H11	H12	120.0°	119.9°
CAQ	CAA	H11	H13	120.0°	120.0°
CAQ	CAA	H12	H13	120.0°	120.1°
CAA	CAQ	CAF	H14	0.3°	0.0°
CAQ	CAF	CAH	H14	180.0°	179.8°
CAF	CAQ	CAE	H10	179.9°	180.0°
CAF	CAQ	CAA	H11	90.1°	90.0°
CAF	CAQ	CAA	H12	29.9°	30.0°
CAF	CAQ	CAA	H13	149.9°	150.0°
CAQ	CAF	CAH	H15	179.0°	179.8°
H2	CAK	CAJ	H4	61.3°	179.9°
H2	CAK	CAJ	H5	57.7°	60.0°
H3	CAK	CAJ	H4	179.0°	60.1°
H3	CAK	CAJ	H5	62.0°	180.0°
H9	CAG	CAE	H10	0.5°	0.1°
H11	CAA	H12	H13	120.0°	120.0°
H14	CAF	CAH	H15	1.0°	0.0°

Release date:	2017-01-18
Definition date:	2016-10-18
Last modified:	2017-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	5M44