9WO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAD	NAP	doub	1.32Å	1.32Å	Aromatic
CAD	CAF	sing	1.38Å	1.35Å	Aromatic
NAP	CAE	sing	1.32Å	1.30Å	Aromatic
CAF	CAV	doub	1.40Å	1.36Å	Aromatic
CAE	CAG	doub	1.38Å	1.36Å	Aromatic
CAV	CAG	sing	1.40Å	1.36Å	Aromatic
CAV	CAW	sing	1.48Å	1.46Å
CAW	NAQ	doub	1.32Å	1.31Å	Aromatic
CAW	CAJ	sing	1.41Å	1.39Å	Aromatic
NAQ	NAS	sing	1.40Å	1.31Å	Aromatic
NAS	CAY	sing	1.36Å	1.32Å	Aromatic
CAJ	CAY	doub	1.36Å	1.38Å	Aromatic
CAY	NBC	sing	1.39Å	1.42Å
NBC	CAO	sing	1.47Å	1.50Å
NBC	CAN	sing	1.47Å	1.54Å
OAA	CAU	doub	1.22Å	1.19Å
CAO	CBB	sing	1.53Å	1.51Å
CAU	CAX	sing	1.47Å	1.53Å
CAU	NAR	sing	1.35Å	1.46Å
CAN	CAL	sing	1.53Å	1.53Å
CBB	NAR	sing	1.46Å	1.49Å
CBB	CAM	sing	1.53Å	1.46Å
CAX	NAT	sing	1.38Å	1.32Å	Aromatic
CAX	CAK	doub	1.36Å	1.39Å	Aromatic
NAT	CBA	sing	1.38Å	1.36Å	Aromatic
CAK	CAZ	sing	1.42Å	1.41Å	Aromatic
CAL	CAM	sing	1.53Å	1.46Å
CBA	CAZ	doub	1.41Å	1.38Å	Aromatic
CBA	CAI	sing	1.39Å	1.43Å	Aromatic
CAZ	CAH	sing	1.40Å	1.42Å	Aromatic
CAI	CAC	doub	1.38Å	1.40Å	Aromatic
CAH	CAB	doub	1.36Å	1.39Å	Aromatic
CAC	CAB	sing	1.39Å	1.40Å	Aromatic
CAK	H1	sing	1.08Å	1.08Å
CAH	H2	sing	1.08Å	1.08Å
CAB	H3	sing	1.08Å	1.08Å
CAC	H4	sing	1.08Å	1.08Å
CAI	H5	sing	1.08Å	1.08Å
NAT	H6	sing	0.97Å	1.00Å
NAR	H7	sing	0.97Å	1.00Å
CBB	H8	sing	1.09Å	1.10Å
CAO	H9	sing	1.09Å	1.10Å
CAO	H10	sing	1.09Å	1.10Å
CAM	H11	sing	1.09Å	1.10Å
CAM	H12	sing	1.09Å	1.10Å
CAL	H13	sing	1.09Å	1.10Å
CAL	H14	sing	1.09Å	1.10Å
CAN	H15	sing	1.09Å	1.10Å
CAN	H16	sing	1.09Å	1.10Å
CAJ	H17	sing	1.08Å	1.08Å
NAS	H18	sing	0.97Å	1.00Å
CAF	H19	sing	1.08Å	1.08Å
CAD	H20	sing	1.08Å	1.08Å
CAE	H21	sing	1.08Å	1.08Å
CAG	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAP	CAD	CAF	120.3°	120.9°
CAD	NAP	CAE	123.3°	122.0°
NAP	CAD	H20	119.9°	119.6°
CAD	CAF	CAV	116.8°	119.0°
CAD	CAF	H19	121.6°	120.5°
CAF	CAD	H20	119.9°	119.6°
NAP	CAE	CAG	119.9°	120.9°
NAP	CAE	H21	120.0°	119.6°
CAF	CAV	CAG	122.5°	118.2°
CAF	CAV	CAW	117.9°	120.9°
CAV	CAF	H19	121.6°	120.5°
CAE	CAG	CAV	117.2°	119.0°
CAG	CAE	H21	120.1°	119.5°
CAE	CAG	H22	121.4°	120.5°
CAG	CAV	CAW	119.6°	120.9°
CAV	CAG	H22	121.4°	120.5°
CAV	CAW	NAQ	125.4°	125.9°
CAV	CAW	CAJ	123.7°	125.9°
NAQ	CAW	CAJ	110.9°	108.1°
CAW	NAQ	NAS	107.9°	108.3°
CAW	CAJ	CAY	101.8°	107.8°
CAW	CAJ	H17	129.1°	126.1°
NAQ	NAS	CAY	109.6°	108.0°
NAQ	NAS	H18	125.2°	126.0°
NAS	CAY	CAJ	109.8°	107.7°
NAS	CAY	NBC	126.3°	126.1°
CAY	NAS	H18	125.2°	126.0°
CAJ	CAY	NBC	124.0°	126.1°
CAY	CAJ	H17	129.0°	126.1°
CAY	NBC	CAO	116.0°	111.0°
CAY	NBC	CAN	120.1°	111.0°
CAO	NBC	CAN	110.7°	111.2°
NBC	CAO	CBB	107.3°	109.5°
NBC	CAO	H9	110.0°	109.5°
NBC	CAO	H10	110.0°	109.4°
NBC	CAN	CAL	115.0°	109.5°
NBC	CAN	H15	108.1°	109.5°
NBC	CAN	H16	108.1°	109.4°
OAA	CAU	CAX	120.9°	120.0°
OAA	CAU	NAR	121.9°	120.0°
CAO	CBB	NAR	107.5°	109.5°
CAO	CBB	CAM	107.6°	109.3°
CAO	CBB	H8	109.3°	109.5°
CBB	CAO	H9	110.0°	109.5°
CBB	CAO	H10	110.0°	109.5°
CAX	CAU	NAR	117.1°	120.0°
CAU	CAX	NAT	126.7°	125.4°
CAU	CAX	CAK	123.5°	125.4°
CAU	NAR	CBB	122.0°	120.0°
CAU	NAR	H7	119.0°	120.0°
CAN	CAL	CAM	115.4°	109.2°
CAN	CAL	H13	108.0°	109.5°
CAN	CAL	H14	108.0°	109.6°
CAL	CAN	H15	108.1°	109.5°
CAL	CAN	H16	108.0°	109.4°
NAR	CBB	CAM	112.9°	109.5°
CBB	NAR	H7	119.0°	120.0°
NAR	CBB	H8	109.5°	109.5°
CBB	CAM	CAL	113.1°	109.1°
CAM	CBB	H8	109.9°	109.5°
CBB	CAM	H11	108.6°	109.5°
CBB	CAM	H12	108.6°	109.5°
NAT	CAX	CAK	109.8°	109.2°
CAX	NAT	CBA	108.6°	108.8°
CAX	NAT	H6	125.7°	125.7°
CAX	CAK	CAZ	106.3°	107.7°
CAX	CAK	H1	126.9°	126.2°
NAT	CBA	CAZ	109.5°	107.4°
NAT	CBA	CAI	131.5°	133.2°
CBA	NAT	H6	125.7°	125.6°
CAK	CAZ	CBA	105.9°	107.0°
CAK	CAZ	CAH	133.4°	133.4°
CAZ	CAK	H1	126.9°	126.1°
CAL	CAM	H11	108.5°	109.6°
CAL	CAM	H12	108.6°	109.6°
CAM	CAL	H13	108.0°	109.5°
CAM	CAL	H14	107.9°	109.5°
CAZ	CBA	CAI	119.0°	119.4°
CBA	CAZ	CAH	120.7°	119.6°
CBA	CAI	CAC	120.3°	119.8°
CBA	CAI	H5	119.9°	120.1°
CAZ	CAH	CAB	120.0°	119.9°
CAZ	CAH	H2	120.0°	120.0°
CAI	CAC	CAB	120.1°	120.7°
CAI	CAC	H4	119.9°	119.7°
CAC	CAI	H5	119.8°	120.1°
CAH	CAB	CAC	119.9°	120.6°
CAB	CAH	H2	120.0°	120.1°
CAH	CAB	H3	120.1°	119.7°
CAC	CAB	H3	120.0°	119.7°
CAB	CAC	H4	119.9°	119.6°
H9	CAO	H10	109.5°	109.5°
H11	CAM	H12	109.5°	109.5°
H13	CAL	H14	109.5°	109.5°
H15	CAN	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAP	CAD	CAF	H20	180.0°	180.0°
NAP	CAD	CAF	CAV	0.1°	0.0°
CAD	NAP	CAE	CAG	1.6°	0.0°
NAP	CAD	CAF	H19	179.9°	180.0°
CAD	NAP	CAE	H21	178.4°	180.0°
CAF	CAD	NAP	CAE	0.8°	0.0°
CAD	CAF	CAV	H19	180.0°	180.0°
CAD	CAF	CAV	CAG	0.0°	0.0°
CAD	CAF	CAV	CAW	179.2°	179.7°
NAP	CAE	CAG	H21	180.0°	180.0°
NAP	CAE	CAG	CAV	1.6°	0.0°
CAE	NAP	CAD	H20	179.3°	180.0°
NAP	CAE	CAG	H22	178.4°	179.7°
CAF	CAV	CAG	CAE	0.8°	0.0°
CAF	CAV	CAG	CAW	179.2°	179.7°
CAF	CAV	CAW	NAQ	1.0°	179.7°
CAF	CAV	CAW	CAJ	179.6°	0.3°
CAV	CAF	CAD	H20	179.9°	180.0°
CAF	CAV	CAG	H22	179.2°	179.7°
CAE	CAG	CAV	H22	180.0°	179.7°
CAE	CAG	CAV	CAW	180.0°	179.7°
CAG	CAV	CAW	NAQ	178.3°	0.0°
CAG	CAV	CAW	CAJ	0.4°	180.0°
CAG	CAV	CAF	H19	180.0°	180.0°
CAV	CAG	CAE	H21	178.4°	180.0°
CAV	CAW	NAQ	CAJ	178.8°	180.0°
CAV	CAW	NAQ	NAS	179.2°	180.0°
CAV	CAW	CAJ	CAY	179.4°	179.8°
CAV	CAW	CAJ	H17	0.6°	0.1°
CAW	CAV	CAF	H19	0.8°	0.3°
CAW	CAV	CAG	H22	0.0°	0.0°
CAW	NAQ	NAS	CAY	0.0°	0.1°
NAQ	CAW	CAJ	CAY	0.6°	0.2°
NAQ	CAW	CAJ	H17	179.4°	179.9°
CAW	NAQ	NAS	H18	179.9°	179.8°
CAJ	CAW	NAQ	NAS	0.4°	0.1°
CAW	CAJ	CAY	NAS	0.6°	0.3°
CAW	CAJ	CAY	H17	180.0°	179.9°
CAW	CAJ	CAY	NBC	179.7°	180.0°
NAQ	NAS	CAY	H18	180.0°	179.9°
NAQ	NAS	CAY	CAJ	0.3°	0.2°
NAQ	NAS	CAY	NBC	179.9°	180.0°
NAS	CAY	CAJ	NBC	179.7°	179.8°
NAS	CAY	NBC	CAO	2.7°	0.3°
NAS	CAY	NBC	CAN	140.2°	124.5°
NAS	CAY	CAJ	H17	179.5°	179.8°
CAJ	CAY	NBC	CAO	176.9°	180.0°
CAJ	CAY	NBC	CAN	39.4°	55.8°
CAJ	CAY	NAS	H18	179.7°	179.7°
CAY	NBC	CAO	CAN	141.3°	124.1°
CAY	NBC	CAO	CBB	82.4°	174.2°
CAY	NBC	CAN	CAL	99.7°	174.1°
CAY	NBC	CAO	H9	37.3°	54.1°
CAY	NBC	CAO	H10	158.0°	65.9°
CAY	NBC	CAN	H15	139.5°	65.8°
CAY	NBC	CAN	H16	21.1°	54.2°
NBC	CAY	CAJ	H17	0.3°	0.0°
NBC	CAY	NAS	H18	0.0°	0.1°
NBC	CAO	CBB	H9	119.7°	120.1°
NBC	CAO	CBB	H10	119.7°	119.9°
CAO	NBC	CAN	CAL	39.8°	61.8°
NBC	CAO	CBB	NAR	167.0°	60.8°
NBC	CAO	CBB	CAM	71.0°	59.1°
NBC	CAO	CBB	H8	48.3°	179.1°
NBC	CAO	H9	H10	121.0°	119.9°
CAO	NBC	CAN	H15	81.0°	58.3°
CAO	NBC	CAN	H16	160.6°	178.3°
CAN	NBC	CAO	CBB	58.9°	61.7°
NBC	CAN	CAL	H15	120.8°	120.1°
NBC	CAN	CAL	H16	120.8°	120.0°
NBC	CAN	CAL	CAM	31.3°	59.2°
CAN	NBC	CAO	H9	178.6°	178.2°
CAN	NBC	CAO	H10	60.7°	58.2°
NBC	CAN	CAL	H13	152.2°	179.1°
NBC	CAN	CAL	H14	89.5°	60.7°
NBC	CAN	H15	H16	117.5°	120.0°
OAA	CAU	CAX	NAR	177.9°	179.9°
OAA	CAU	NAR	CBB	1.9°	0.1°
OAA	CAU	CAX	NAT	29.4°	179.9°
OAA	CAU	CAX	CAK	152.5°	0.5°
OAA	CAU	NAR	H7	178.2°	180.0°
CAO	CBB	NAR	CAU	128.9°	155.1°
CAO	CBB	NAR	CAM	118.6°	119.8°
CAO	CBB	NAR	H8	118.6°	120.1°
CAO	CBB	CAM	H8	118.9°	120.0°
CAO	CBB	CAM	CAL	62.9°	57.7°
CAO	CBB	NAR	H7	51.1°	24.8°
CBB	CAO	H9	H10	121.0°	120.0°
CAO	CBB	CAM	H11	176.6°	62.3°
CAO	CBB	CAM	H12	57.6°	177.6°
CAX	CAU	NAR	CBB	179.8°	180.0°
CAU	CAX	NAT	CAK	178.3°	179.5°
CAU	CAX	NAT	CBA	178.7°	180.0°
CAU	CAX	CAK	CAZ	178.5°	180.0°
CAU	CAX	CAK	H1	1.5°	0.3°
CAU	CAX	NAT	H6	1.3°	0.2°
CAX	CAU	NAR	H7	0.3°	0.0°
CAU	NAR	CBB	H7	180.0°	179.9°
CAU	NAR	CBB	CAM	112.5°	85.0°
NAR	CAU	CAX	NAT	148.6°	0.0°
NAR	CAU	CAX	CAK	29.6°	179.4°
CAU	NAR	CBB	H8	10.3°	35.0°
CAN	CAL	CAM	CBB	43.1°	57.7°
CAN	CAL	CAM	H13	120.9°	119.9°
CAN	CAL	CAM	H14	120.9°	120.0°
CAN	CAL	CAM	H11	163.6°	62.2°
CAN	CAL	CAM	H12	77.5°	177.6°
CAN	CAL	H13	H14	117.3°	120.2°
CAL	CAN	H15	H16	117.5°	120.0°
NAR	CBB	CAM	H8	122.6°	120.1°
NAR	CBB	CAM	CAL	178.6°	62.2°
NAR	CBB	CAO	H9	47.4°	59.3°
NAR	CBB	CAO	H10	73.3°	179.3°
NAR	CBB	CAM	H11	58.0°	177.8°
NAR	CBB	CAM	H12	60.9°	57.7°
CBB	CAM	CAL	H11	120.5°	119.9°
CBB	CAM	CAL	H12	120.6°	119.9°
CAM	CBB	NAR	H7	67.5°	95.0°
CAM	CBB	CAO	H9	169.3°	179.2°
CAM	CBB	CAO	H10	48.6°	60.8°
CBB	CAM	H11	H12	118.4°	120.1°
CBB	CAM	CAL	H13	163.9°	177.6°
CBB	CAM	CAL	H14	77.8°	62.3°
CAX	NAT	CBA	H6	180.0°	179.8°
NAT	CAX	CAK	CAZ	0.1°	0.4°
CAX	NAT	CBA	CAZ	0.4°	0.3°
CAX	NAT	CBA	CAI	179.7°	179.8°
NAT	CAX	CAK	H1	179.9°	179.8°
CAK	CAX	NAT	CBA	0.3°	0.5°
CAX	CAK	CAZ	H1	180.0°	179.8°
CAX	CAK	CAZ	CBA	0.1°	0.2°
CAX	CAK	CAZ	CAH	180.0°	179.7°
CAK	CAX	NAT	H6	179.7°	179.7°
NAT	CBA	CAZ	CAK	0.3°	0.0°
NAT	CBA	CAZ	CAI	179.9°	179.9°
NAT	CBA	CAZ	CAH	179.8°	180.0°
NAT	CBA	CAI	CAC	180.0°	180.0°
NAT	CBA	CAI	H5	0.0°	0.0°
CAK	CAZ	CBA	CAH	179.9°	179.9°
CAK	CAZ	CBA	CAI	179.8°	180.0°
CAK	CAZ	CAH	CAB	179.6°	179.9°
CAK	CAZ	CAH	H2	0.4°	0.1°
CAL	CAM	CBB	H8	56.0°	177.6°
CAL	CAM	H11	H12	118.3°	120.2°
CAM	CAL	H13	H14	117.3°	120.1°
CAM	CAL	CAN	H15	89.5°	60.8°
CAM	CAL	CAN	H16	152.1°	179.2°
CAZ	CBA	CAI	CAC	0.1°	0.0°
CBA	CAZ	CAH	CAB	0.2°	0.1°
CBA	CAZ	CAK	H1	179.9°	180.0°
CBA	CAZ	CAH	H2	179.8°	180.0°
CAZ	CBA	CAI	H5	179.8°	179.9°
CAZ	CBA	NAT	H6	179.6°	179.9°
CAI	CBA	CAZ	CAH	0.1°	0.1°
CBA	CAI	CAC	H5	180.0°	179.9°
CBA	CAI	CAC	CAB	0.3°	0.1°
CBA	CAI	CAC	H4	179.7°	180.0°
CAI	CBA	NAT	H6	0.3°	0.0°
CAZ	CAH	CAB	H2	180.0°	179.9°
CAZ	CAH	CAB	CAC	0.1°	0.0°
CAH	CAZ	CAK	H1	0.0°	0.1°
CAZ	CAH	CAB	H3	179.9°	179.9°
CAI	CAC	CAB	CAH	0.2°	0.1°
CAI	CAC	CAB	H4	180.0°	179.9°
CAI	CAC	CAB	H3	179.8°	180.0°
CAH	CAB	CAC	H3	180.0°	179.9°
CAH	CAB	CAC	H4	179.8°	180.0°
CAC	CAB	CAH	H2	179.9°	179.9°
CAB	CAC	CAI	H5	179.7°	180.0°
H2	CAH	CAB	H3	0.1°	0.0°
H3	CAB	CAC	H4	0.2°	0.1°
H4	CAC	CAI	H5	0.3°	0.1°
H7	NAR	CBB	H8	169.7°	144.9°
H8	CBB	CAO	H9	71.4°	60.8°
H8	CBB	CAO	H10	167.9°	59.2°
H8	CBB	CAM	H11	64.5°	57.7°
H8	CBB	CAM	H12	176.5°	62.4°
H11	CAM	CAL	H13	75.5°	57.6°
H11	CAM	CAL	H14	42.7°	177.8°
H12	CAM	CAL	H13	43.4°	62.5°
H12	CAM	CAL	H14	161.6°	57.6°
H13	CAL	CAN	H15	31.4°	59.0°
H13	CAL	CAN	H16	87.0°	60.9°
H14	CAL	CAN	H15	149.6°	179.2°
H14	CAL	CAN	H16	31.3°	59.2°
H19	CAF	CAD	H20	0.1°	0.0°
H21	CAE	CAG	H22	1.6°	0.3°

Release date:	2019-08-14
Definition date:	2018-08-22
Last modified:	2019-08-09
Release status:	REL
Processing site:	RCSB
Derived from:	6AFK