6JS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAY	CAX	doub	1.35Å	1.33Å	Aromatic
CAY	OAZ	sing	1.34Å	1.37Å	Aromatic
CAX	CAW	sing	1.41Å	1.33Å	Aromatic
OAZ	CAV	sing	1.35Å	1.33Å	Aromatic
CAW	CAV	doub	1.36Å	1.33Å	Aromatic
CAV	CAR	sing	1.48Å	1.33Å
CAR	CAS	doub	1.40Å	1.39Å	Aromatic
CAR	CAQ	sing	1.40Å	1.39Å	Aromatic
CAS	CAT	sing	1.38Å	1.39Å	Aromatic
CAQ	CAP	doub	1.38Å	1.39Å	Aromatic
CAT	CAU	doub	1.39Å	1.39Å	Aromatic
CAU	CAP	sing	1.39Å	1.39Å	Aromatic
CAU	OBA	sing	1.36Å	1.36Å
CAP	NAO	sing	1.40Å	1.35Å
N1	C2	doub	1.32Å	1.40Å	Aromatic
N1	C6	sing	1.33Å	1.35Å	Aromatic
C2	N3	sing	1.32Å	1.39Å	Aromatic
CBB	OBA	sing	1.43Å	1.43Å
NAO	C6	sing	1.38Å	1.35Å
C6	C5	doub	1.40Å	1.35Å	Aromatic
N3	C4	doub	1.33Å	1.34Å	Aromatic
C5	C4	sing	1.41Å	1.34Å	Aromatic
C5	CAI	sing	1.46Å	1.33Å	Aromatic
C4	NAG	sing	1.36Å	1.33Å	Aromatic
OAN	CAM	sing	1.34Å	1.39Å	Aromatic
OAN	CAJ	sing	1.35Å	1.34Å	Aromatic
CAM	CAL	doub	1.35Å	1.33Å	Aromatic
CAI	CAJ	sing	1.48Å	1.34Å
CAI	NAH	doub	1.31Å	1.33Å	Aromatic
CAJ	CAK	doub	1.36Å	1.33Å	Aromatic
NAG	NAH	sing	1.40Å	1.19Å	Aromatic
CAL	CAK	sing	1.41Å	1.33Å	Aromatic
CAK	H1	sing	1.08Å	1.08Å
CAL	H2	sing	1.08Å	1.08Å
CAM	H3	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å
NAO	H6	sing	0.97Å	1.00Å
CAQ	H7	sing	1.08Å	1.08Å
CBB	H8	sing	1.09Å	1.10Å
CBB	H9	sing	1.09Å	1.10Å
CBB	H10	sing	1.09Å	1.10Å
CAT	H11	sing	1.08Å	1.08Å
CAS	H12	sing	1.08Å	1.08Å
CAY	H13	sing	1.08Å	1.08Å
CAX	H14	sing	1.08Å	1.08Å
CAW	H15	sing	1.08Å	1.08Å
NAG	H4	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAX	CAY	OAZ	108.0°	108.7°
CAY	CAX	CAW	108.7°	107.0°
CAX	CAY	H13	126.0°	125.6°
CAY	CAX	H14	125.6°	126.5°
CAY	OAZ	CAV	105.5°	109.4°
OAZ	CAY	H13	126.0°	125.7°
CAX	CAW	CAV	107.2°	106.7°
CAW	CAX	H14	125.7°	126.5°
CAX	CAW	H15	126.4°	126.6°
OAZ	CAV	CAW	110.6°	108.2°
OAZ	CAV	CAR	125.0°	125.9°
CAW	CAV	CAR	124.4°	125.9°
CAV	CAW	H15	126.4°	126.6°
CAV	CAR	CAS	120.5°	120.1°
CAV	CAR	CAQ	119.3°	120.1°
CAS	CAR	CAQ	120.2°	119.9°
CAR	CAS	CAT	119.6°	120.0°
CAR	CAS	H12	120.2°	120.0°
CAR	CAQ	CAP	120.8°	119.8°
CAR	CAQ	H7	119.6°	120.1°
CAS	CAT	CAU	119.9°	120.2°
CAS	CAT	H11	120.1°	119.9°
CAT	CAS	H12	120.2°	120.0°
CAQ	CAP	CAU	118.6°	120.0°
CAQ	CAP	NAO	125.3°	120.0°
CAP	CAQ	H7	119.6°	120.1°
CAT	CAU	CAP	120.9°	120.1°
CAT	CAU	OBA	122.6°	119.9°
CAU	CAT	H11	120.0°	119.9°
CAP	CAU	OBA	116.5°	120.0°
CAU	CAP	NAO	116.1°	120.0°
CAU	OBA	CBB	112.3°	117.0°
CAP	NAO	C6	123.0°	119.9°
CAP	NAO	H6	118.5°	120.0°
C2	N1	C6	120.8°	121.1°
N1	C2	N3	117.7°	122.7°
N1	C2	H5	121.2°	118.7°
N1	C6	NAO	123.9°	120.8°
N1	C6	C5	119.6°	118.4°
C2	N3	C4	119.3°	120.7°
N3	C2	H5	121.1°	118.6°
OBA	CBB	H8	109.5°	109.4°
OBA	CBB	H9	109.5°	109.5°
OBA	CBB	H10	109.5°	109.4°
NAO	C6	C5	116.5°	120.8°
C6	NAO	H6	118.5°	120.0°
C6	C5	C4	121.0°	118.5°
C6	C5	CAI	135.5°	135.0°
N3	C4	C5	121.6°	118.7°
N3	C4	NAG	130.5°	134.4°
C4	C5	CAI	103.6°	106.5°
C5	C4	NAG	107.9°	106.9°
C5	CAI	CAJ	128.1°	126.3°
C5	CAI	NAH	108.8°	107.3°
C4	NAG	NAH	110.4°	109.4°
C4	NAG	H4	124.8°	125.3°
CAM	OAN	CAJ	105.7°	109.4°
OAN	CAM	CAL	107.6°	108.7°
OAN	CAM	H3	126.2°	125.6°
OAN	CAJ	CAI	125.4°	126.0°
OAN	CAJ	CAK	109.8°	108.2°
CAM	CAL	CAK	109.0°	107.1°
CAM	CAL	H2	125.5°	126.5°
CAL	CAM	H3	126.2°	125.7°
CAJ	CAI	NAH	123.0°	126.4°
CAI	CAJ	CAK	124.8°	125.9°
CAI	NAH	NAG	109.4°	109.9°
CAJ	CAK	CAL	107.9°	106.7°
CAJ	CAK	H1	126.0°	126.7°
NAH	NAG	H4	124.8°	125.3°
CAL	CAK	H1	126.0°	126.6°
CAK	CAL	H2	125.5°	126.5°
H8	CBB	H9	109.5°	109.5°
H8	CBB	H10	109.4°	109.5°
H9	CBB	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAX	CAY	OAZ	H13	180.0°	179.7°
CAY	CAX	CAW	H14	180.0°	179.8°
CAX	CAY	OAZ	CAV	0.1°	0.0°
CAY	CAX	CAW	CAV	0.1°	0.4°
CAY	CAX	CAW	H15	179.9°	180.0°
OAZ	CAY	CAX	CAW	0.0°	0.2°
CAY	OAZ	CAV	CAW	0.1°	0.2°
CAY	OAZ	CAV	CAR	179.7°	180.0°
OAZ	CAY	CAX	H14	180.0°	180.0°
CAX	CAW	CAV	OAZ	0.2°	0.3°
CAX	CAW	CAV	H15	180.0°	179.7°
CAX	CAW	CAV	CAR	179.7°	179.9°
CAW	CAX	CAY	H13	180.0°	180.0°
OAZ	CAV	CAW	CAR	179.6°	179.8°
OAZ	CAV	CAR	CAS	5.8°	180.0°
OAZ	CAV	CAR	CAQ	174.2°	0.3°
CAV	OAZ	CAY	H13	179.9°	179.8°
OAZ	CAV	CAW	H15	179.8°	180.0°
CAW	CAV	CAR	CAS	174.7°	0.3°
CAW	CAV	CAR	CAQ	5.4°	180.0°
CAV	CAW	CAX	H14	179.9°	179.8°
CAV	CAR	CAS	CAQ	179.9°	179.7°
CAV	CAR	CAS	CAT	179.8°	180.0°
CAV	CAR	CAQ	CAP	179.1°	179.7°
CAV	CAR	CAQ	H7	0.9°	0.2°
CAV	CAR	CAS	H12	0.2°	0.3°
CAR	CAV	CAW	H15	0.2°	0.2°
CAR	CAS	CAT	H12	180.0°	179.7°
CAS	CAR	CAQ	CAP	0.8°	0.0°
CAR	CAS	CAT	CAU	0.1°	0.2°
CAS	CAR	CAQ	H7	179.2°	179.9°
CAR	CAS	CAT	H11	179.9°	179.7°
CAQ	CAR	CAS	CAT	0.1°	0.3°
CAR	CAQ	CAP	H7	180.0°	179.9°
CAR	CAQ	CAP	CAU	1.3°	0.3°
CAR	CAQ	CAP	NAO	179.7°	180.0°
CAQ	CAR	CAS	H12	179.9°	180.0°
CAS	CAT	CAU	H11	180.0°	179.9°
CAS	CAT	CAU	CAP	0.4°	0.1°
CAS	CAT	CAU	OBA	179.9°	180.0°
CAQ	CAP	CAU	CAT	1.1°	0.3°
CAQ	CAP	CAU	NAO	178.6°	179.7°
CAQ	CAP	CAU	OBA	179.4°	179.7°
CAQ	CAP	NAO	C6	34.6°	19.5°
CAQ	CAP	NAO	H6	145.4°	160.5°
CAT	CAU	CAP	OBA	179.5°	180.0°
CAT	CAU	CAP	NAO	179.7°	179.9°
CAT	CAU	OBA	CBB	3.0°	0.0°
CAU	CAT	CAS	H12	179.9°	180.0°
CAP	CAU	OBA	CBB	177.6°	180.0°
CAU	CAP	NAO	C6	146.9°	160.2°
CAU	CAP	NAO	H6	33.1°	19.8°
CAU	CAP	CAQ	H7	178.7°	179.8°
CAP	CAU	CAT	H11	179.6°	180.0°
OBA	CAU	CAP	NAO	0.8°	0.0°
CAU	OBA	CBB	H8	180.0°	60.0°
CAU	OBA	CBB	H9	60.0°	60.0°
CAU	OBA	CBB	H10	60.0°	180.0°
OBA	CAU	CAT	H11	0.1°	0.1°
CAP	NAO	C6	N1	0.1°	6.3°
CAP	NAO	C6	H6	180.0°	180.0°
CAP	NAO	C6	C5	179.3°	173.7°
NAO	CAP	CAQ	H7	0.3°	0.1°
N1	C2	N3	H5	180.0°	179.7°
C2	N1	C6	NAO	179.8°	180.0°
C2	N1	C6	C5	0.7°	0.0°
N1	C2	N3	C4	0.2°	0.5°
C6	N1	C2	N3	0.5°	0.3°
N1	C6	NAO	C5	179.2°	180.0°
N1	C6	C5	C4	0.6°	0.1°
N1	C6	C5	CAI	180.0°	179.9°
C6	N1	C2	H5	179.5°	179.9°
N1	C6	NAO	H6	179.9°	173.7°
C2	N3	C4	C5	0.1°	0.5°
C2	N3	C4	NAG	180.0°	179.8°
OBA	CBB	H8	H9	120.0°	120.0°
OBA	CBB	H8	H10	120.0°	119.9°
OBA	CBB	H9	H10	120.0°	120.0°
NAO	C6	C5	C4	179.8°	180.0°
NAO	C6	C5	CAI	0.8°	0.1°
C6	C5	C4	N3	0.3°	0.2°
C6	C5	C4	CAI	179.6°	179.9°
C6	C5	C4	NAG	179.8°	180.0°
C6	C5	CAI	CAJ	1.2°	0.1°
C6	C5	CAI	NAH	179.7°	180.0°
C5	C6	NAO	H6	0.7°	6.4°
N3	C4	C5	NAG	179.9°	179.8°
N3	C4	C5	CAI	179.9°	179.7°
N3	C4	NAG	NAH	179.9°	179.7°
C4	N3	C2	H5	179.8°	179.8°
N3	C4	NAG	H4	0.1°	0.2°
C4	C5	CAI	CAJ	179.4°	180.0°
C4	C5	CAI	NAH	0.2°	0.1°
C5	C4	NAG	NAH	0.2°	0.0°
C5	C4	NAG	H4	179.9°	179.9°
CAI	C5	C4	NAG	0.2°	0.1°
C5	CAI	CAJ	OAN	3.4°	35.0°
C5	CAI	CAJ	NAH	179.1°	179.9°
C5	CAI	CAJ	CAK	177.9°	144.6°
C5	CAI	NAH	NAG	0.1°	0.1°
C4	NAG	NAH	CAI	0.1°	0.0°
C4	NAG	NAH	H4	180.0°	179.9°
OAN	CAM	CAL	H3	180.0°	179.9°
CAM	OAN	CAJ	CAI	179.3°	179.9°
CAM	OAN	CAJ	CAK	0.5°	0.4°
OAN	CAM	CAL	CAK	0.0°	0.0°
OAN	CAM	CAL	H2	180.0°	180.0°
CAJ	OAN	CAM	CAL	0.3°	0.3°
OAN	CAJ	CAI	CAK	178.7°	179.6°
OAN	CAJ	CAI	NAH	175.7°	144.9°
OAN	CAJ	CAK	CAL	0.5°	0.4°
OAN	CAJ	CAK	H1	179.5°	179.9°
CAJ	OAN	CAM	H3	179.7°	179.8°
CAM	CAL	CAK	CAJ	0.3°	0.2°
CAM	CAL	CAK	H2	180.0°	180.0°
CAM	CAL	CAK	H1	179.7°	179.9°
CAJ	CAI	NAH	NAG	179.3°	180.0°
CAI	CAJ	CAK	CAL	179.4°	180.0°
CAI	CAJ	CAK	H1	0.6°	0.3°
NAH	CAI	CAJ	CAK	3.0°	35.5°
CAI	NAH	NAG	H4	180.0°	179.9°
CAJ	CAK	CAL	H1	180.0°	179.7°
CAJ	CAK	CAL	H2	179.7°	179.8°
CAK	CAL	CAM	H3	180.0°	179.9°
H1	CAK	CAL	H2	0.3°	0.1°
H2	CAL	CAM	H3	0.0°	0.1°
H8	CBB	H9	H10	120.0°	120.0°
H11	CAT	CAS	H12	0.1°	0.1°
H13	CAY	CAX	H14	0.0°	0.2°
H14	CAX	CAW	H15	0.1°	0.2°

Release date:	2016-09-07
Definition date:	2016-04-19
Last modified:	2016-09-02
Release status:	REL
Processing site:	RCSB
Derived from:	5JEB