6O3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAS	PAR	doub	1.48Å	1.67Å
OAT	PAR	sing	1.61Å	1.66Å
OAU	PAR	sing	1.61Å	1.51Å
PAR	CAQ	sing	1.82Å	1.69Å
CAQ	CAC	sing	1.51Å	1.59Å
CAN	CAO	doub	1.38Å	1.41Å	Aromatic
CAN	CAM	sing	1.38Å	1.41Å	Aromatic
CAO	CAJ	sing	1.40Å	1.43Å	Aromatic
CAP	CAM	sing	1.51Å	1.42Å
C6	N1	doub	1.32Å	1.41Å	Aromatic
C6	C5	sing	1.41Å	1.36Å	Aromatic
CAM	CAL	doub	1.38Å	1.40Å	Aromatic
CAC	C5	sing	1.45Å	1.40Å	Aromatic
CAC	CAD	doub	1.33Å	1.41Å	Aromatic
N1	C2	sing	1.32Å	1.40Å	Aromatic
C5	C4	doub	1.40Å	1.37Å	Aromatic
CAJ	CAD	sing	1.48Å	1.41Å
CAJ	CAK	doub	1.40Å	1.43Å	Aromatic
CAD	SAE	sing	1.75Å	1.82Å	Aromatic
CAL	CAK	sing	1.38Å	1.40Å	Aromatic
C2	N3	doub	1.31Å	1.41Å	Aromatic
C4	N3	sing	1.34Å	1.36Å	Aromatic
C4	SAE	sing	1.76Å	1.70Å	Aromatic
OAT	H1	sing	0.97Å	0.95Å
OAU	H2	sing	0.97Å	0.95Å
CAQ	H3	sing	1.09Å	1.10Å
CAQ	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
CAK	H7	sing	1.08Å	1.08Å
CAL	H8	sing	1.08Å	1.08Å
CAP	H9	sing	1.09Å	1.10Å
CAP	H10	sing	1.09Å	1.10Å
CAP	H11	sing	1.09Å	1.10Å
CAN	H12	sing	1.08Å	1.08Å
CAO	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAS	PAR	OAT	104.1°	109.4°
OAS	PAR	OAU	115.9°	109.5°
OAS	PAR	CAQ	107.2°	109.5°
OAT	PAR	OAU	113.7°	109.5°
OAT	PAR	CAQ	111.6°	109.5°
PAR	OAT	H1	109.5°	114.0°
OAU	PAR	CAQ	104.3°	109.5°
PAR	OAU	H2	109.5°	114.0°
PAR	CAQ	CAC	114.0°	109.5°
PAR	CAQ	H3	108.3°	109.4°
PAR	CAQ	H4	108.3°	109.5°
CAQ	CAC	C5	117.2°	122.7°
CAQ	CAC	CAD	125.2°	122.7°
CAC	CAQ	H3	108.3°	109.5°
CAC	CAQ	H4	108.3°	109.5°
CAO	CAN	CAM	121.3°	120.1°
CAN	CAO	CAJ	122.7°	119.8°
CAO	CAN	H12	119.4°	119.9°
CAN	CAO	H13	118.6°	120.1°
CAN	CAM	CAP	122.7°	119.9°
CAN	CAM	CAL	117.7°	120.3°
CAM	CAN	H12	119.4°	119.9°
CAO	CAJ	CAD	119.4°	120.1°
CAO	CAJ	CAK	113.7°	119.7°
CAJ	CAO	H13	118.6°	120.1°
CAP	CAM	CAL	119.7°	119.8°
CAM	CAP	H9	109.5°	109.5°
CAM	CAP	H10	109.4°	109.5°
CAM	CAP	H11	109.4°	109.5°
N1	C6	C5	123.4°	119.1°
C6	N1	C2	118.7°	121.4°
N1	C6	H5	118.3°	120.5°
C6	C5	CAC	128.5°	130.4°
C6	C5	C4	116.6°	117.5°
C5	C6	H5	118.3°	120.4°
CAM	CAL	CAK	121.0°	120.1°
CAM	CAL	H8	119.5°	119.9°
C5	CAC	CAD	117.4°	114.6°
CAC	C5	C4	115.0°	112.0°
CAC	CAD	CAJ	132.3°	124.4°
CAC	CAD	SAE	102.5°	111.3°
N1	C2	N3	117.0°	122.1°
N1	C2	H6	121.5°	119.0°
C5	C4	N3	122.6°	119.0°
C5	C4	SAE	108.6°	109.7°
CAD	CAJ	CAK	126.8°	120.2°
CAJ	CAD	SAE	124.9°	124.3°
CAJ	CAK	CAL	123.7°	119.9°
CAJ	CAK	H7	118.2°	120.0°
CAD	SAE	C4	96.4°	92.3°
CAL	CAK	H7	118.2°	120.1°
CAK	CAL	H8	119.5°	119.9°
C2	N3	C4	121.8°	120.9°
N3	C2	H6	121.5°	119.0°
N3	C4	SAE	128.8°	131.2°
H3	CAQ	H4	109.5°	109.4°
H9	CAP	H10	109.5°	109.4°
H9	CAP	H11	109.5°	109.5°
H10	CAP	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAS	PAR	OAT	OAU	127.0°	120.0°
OAS	PAR	OAT	CAQ	115.3°	120.0°
OAS	PAR	OAU	CAQ	117.6°	120.0°
OAS	PAR	CAQ	CAC	50.6°	55.0°
OAS	PAR	OAT	H1	0.0°	180.0°
OAS	PAR	OAU	H2	0.0°	59.9°
OAS	PAR	CAQ	H3	171.2°	175.0°
OAS	PAR	CAQ	H4	70.1°	65.1°
OAT	PAR	OAU	CAQ	121.8°	120.0°
OAT	PAR	CAQ	CAC	62.8°	65.0°
OAT	PAR	OAU	H2	120.6°	60.0°
OAT	PAR	CAQ	H3	57.8°	55.1°
OAT	PAR	CAQ	H4	176.5°	175.0°
OAU	PAR	CAQ	CAC	174.0°	175.0°
OAU	PAR	OAT	H1	127.0°	60.0°
OAU	PAR	CAQ	H3	65.3°	65.0°
OAU	PAR	CAQ	H4	53.3°	55.0°
PAR	CAQ	CAC	H3	120.7°	120.0°
PAR	CAQ	CAC	H4	120.7°	120.1°
PAR	CAQ	CAC	C5	84.5°	91.6°
PAR	CAQ	CAC	CAD	100.5°	88.6°
CAQ	PAR	OAT	H1	115.3°	60.0°
CAQ	PAR	OAU	H2	117.6°	180.0°
PAR	CAQ	H3	H4	117.9°	120.0°
CAQ	CAC	C5	C6	2.0°	0.1°
CAQ	CAC	C5	CAD	175.4°	179.8°
CAQ	CAC	C5	C4	178.6°	180.0°
CAQ	CAC	CAD	CAJ	8.1°	0.0°
CAQ	CAC	CAD	SAE	177.6°	179.8°
CAC	CAQ	H3	H4	118.0°	120.0°
CAO	CAN	CAM	H12	180.0°	179.6°
CAN	CAO	CAJ	H13	180.0°	179.6°
CAO	CAN	CAM	CAP	180.0°	179.8°
CAO	CAN	CAM	CAL	0.8°	0.2°
CAN	CAO	CAJ	CAD	178.0°	179.8°
CAN	CAO	CAJ	CAK	1.2°	0.5°
CAM	CAN	CAO	CAJ	0.5°	0.4°
CAN	CAM	CAP	CAL	179.2°	180.0°
CAN	CAM	CAL	CAK	1.3°	0.0°
CAN	CAM	CAL	H8	178.7°	180.0°
CAN	CAM	CAP	H9	90.4°	90.0°
CAN	CAM	CAP	H10	149.6°	30.0°
CAN	CAM	CAP	H11	29.6°	150.0°
CAM	CAN	CAO	H13	179.5°	180.0°
CAO	CAJ	CAD	CAC	142.8°	53.9°
CAO	CAJ	CAD	CAK	176.3°	179.7°
CAO	CAJ	CAD	SAE	30.5°	126.2°
CAO	CAJ	CAK	CAL	0.8°	0.3°
CAO	CAJ	CAK	H7	179.3°	179.8°
CAJ	CAO	CAN	H12	179.5°	180.0°
CAP	CAM	CAL	CAK	179.5°	180.0°
CAP	CAM	CAL	H8	0.5°	0.1°
CAM	CAP	H9	H10	120.0°	120.0°
CAM	CAP	H9	H11	120.0°	120.0°
CAM	CAP	H10	H11	120.0°	120.0°
CAP	CAM	CAN	H12	0.0°	0.2°
N1	C6	C5	H5	180.0°	179.9°
N1	C6	C5	CAC	178.8°	180.0°
N1	C6	C5	C4	0.6°	0.1°
C6	N1	C2	N3	0.0°	0.1°
C6	N1	C2	H6	180.0°	180.0°
C6	C5	CAC	C4	179.4°	180.0°
C6	C5	CAC	CAD	177.5°	179.7°
C5	C6	N1	C2	0.4°	0.1°
C6	C5	C4	N3	0.4°	0.0°
C6	C5	C4	SAE	178.6°	180.0°
CAM	CAL	CAK	CAJ	0.5°	0.0°
CAM	CAL	CAK	H8	180.0°	179.9°
CAM	CAL	CAK	H7	179.5°	179.9°
CAL	CAM	CAP	H9	90.4°	90.0°
CAL	CAM	CAP	H10	29.6°	150.0°
CAL	CAM	CAP	H11	149.6°	30.0°
CAL	CAM	CAN	H12	179.2°	179.8°
C5	CAC	CAD	CAJ	176.9°	179.8°
C5	CAC	CAD	SAE	2.6°	0.4°
CAC	C5	C4	N3	179.1°	180.0°
CAC	C5	C4	SAE	1.9°	0.0°
C5	CAC	CAQ	H3	36.2°	28.3°
C5	CAC	CAQ	H4	154.8°	148.3°
CAC	C5	C6	H5	1.2°	0.1°
CAD	CAC	C5	C4	3.1°	0.3°
CAC	CAD	CAJ	SAE	173.2°	179.8°
CAC	CAD	CAJ	CAK	33.5°	126.3°
CAC	CAD	SAE	C4	1.2°	0.3°
CAD	CAC	CAQ	H3	138.9°	151.4°
CAD	CAC	CAQ	H4	20.2°	31.5°
N1	C2	N3	H6	180.0°	180.0°
N1	C2	N3	C4	0.2°	0.0°
C2	N1	C6	H5	179.6°	180.0°
C5	C4	SAE	CAD	0.3°	0.2°
C5	C4	N3	C2	0.0°	0.0°
C5	C4	N3	SAE	178.8°	180.0°
C4	C5	C6	H5	179.4°	180.0°
CAD	CAJ	CAK	CAL	177.2°	180.0°
CAJ	CAD	SAE	C4	176.1°	179.8°
CAD	CAJ	CAK	H7	2.8°	0.1°
CAD	CAJ	CAO	H13	2.1°	0.2°
CAK	CAJ	CAD	SAE	153.3°	53.5°
CAJ	CAK	CAL	H7	180.0°	179.9°
CAJ	CAK	CAL	H8	179.5°	179.9°
CAK	CAJ	CAO	H13	178.8°	179.9°
CAD	SAE	C4	N3	179.2°	179.8°
C2	N3	C4	SAE	178.8°	180.0°
C4	N3	C2	H6	179.8°	180.0°
H7	CAK	CAL	H8	0.5°	0.0°
H9	CAP	H10	H11	120.1°	119.9°
H12	CAN	CAO	H13	0.5°	0.3°

Release date:	2017-03-15
Definition date:	2016-05-12
Last modified:	2017-03-10
Release status:	REL
Processing site:	RCSB
Derived from:	5JV2