2OE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAB	CAQ	sing	1.36Å	1.33Å
CAQ	CAG	doub	1.39Å	1.37Å	Aromatic
CAQ	CAL	sing	1.39Å	1.38Å	Aromatic
CAG	CAF	sing	1.38Å	1.40Å	Aromatic
CAL	CAR	doub	1.39Å	1.39Å	Aromatic
CAF	CAH	doub	1.38Å	1.39Å	Aromatic
CAR	CAH	sing	1.39Å	1.37Å	Aromatic
CAR	OAO	sing	1.36Å	1.33Å
OAO	CAS	sing	1.36Å	1.34Å
CAS	CAK	doub	1.39Å	1.38Å	Aromatic
CAS	CAM	sing	1.39Å	1.37Å	Aromatic
CAK	CAP	sing	1.38Å	1.37Å	Aromatic
CAA	CAP	sing	1.51Å	1.38Å
CAM	CAU	doub	1.39Å	1.39Å	Aromatic
CAP	NAN	doub	1.32Å	1.33Å	Aromatic
NAN	CAU	sing	1.33Å	1.33Å	Aromatic
CAU	CAT	sing	1.48Å	1.38Å
CAI	CAT	doub	1.39Å	1.37Å	Aromatic
CAI	CAD	sing	1.38Å	1.37Å	Aromatic
CAT	CAJ	sing	1.39Å	1.37Å	Aromatic
CAD	CAC	doub	1.38Å	1.37Å	Aromatic
CAJ	CAE	doub	1.38Å	1.37Å	Aromatic
CAC	CAE	sing	1.38Å	1.38Å	Aromatic
CAL	H1	sing	1.08Å	1.08Å
OAB	H2	sing	0.97Å	0.95Å
CAG	H3	sing	1.08Å	1.08Å
CAF	H4	sing	1.08Å	1.08Å
CAH	H5	sing	1.08Å	1.08Å
CAM	H6	sing	1.08Å	1.08Å
CAK	H7	sing	1.08Å	1.08Å
CAA	H8	sing	1.09Å	1.10Å
CAA	H9	sing	1.09Å	1.10Å
CAA	H10	sing	1.09Å	1.10Å
CAI	H11	sing	1.08Å	1.08Å
CAD	H12	sing	1.08Å	1.08Å
CAC	H13	sing	1.08Å	1.08Å
CAE	H14	sing	1.08Å	1.08Å
CAJ	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAB	CAQ	CAG	120.3°	120.0°
OAB	CAQ	CAL	122.1°	120.0°
CAQ	OAB	H2	109.5°	114.0°
CAG	CAQ	CAL	117.6°	120.0°
CAQ	CAG	CAF	119.7°	120.0°
CAQ	CAG	H3	120.1°	120.0°
CAQ	CAL	CAR	122.8°	119.9°
CAQ	CAL	H1	118.6°	120.1°
CAG	CAF	CAH	123.1°	120.1°
CAF	CAG	H3	120.2°	120.0°
CAG	CAF	H4	118.5°	119.9°
CAL	CAR	CAH	120.6°	119.9°
CAL	CAR	OAO	119.6°	120.0°
CAR	CAL	H1	118.6°	120.0°
CAF	CAH	CAR	116.2°	120.1°
CAH	CAF	H4	118.4°	120.0°
CAF	CAH	H5	121.9°	119.9°
CAH	CAR	OAO	119.9°	120.1°
CAR	CAH	H5	121.9°	120.0°
CAR	OAO	CAS	112.0°	118.0°
OAO	CAS	CAK	122.0°	120.8°
OAO	CAS	CAM	119.9°	120.8°
CAK	CAS	CAM	118.1°	118.4°
CAS	CAK	CAP	119.8°	119.3°
CAS	CAK	H7	120.1°	120.4°
CAS	CAM	CAU	120.2°	119.0°
CAS	CAM	H6	119.9°	120.5°
CAK	CAP	CAA	118.2°	119.5°
CAK	CAP	NAN	121.1°	121.0°
CAP	CAK	H7	120.1°	120.3°
CAA	CAP	NAN	120.7°	119.5°
CAP	CAA	H8	109.5°	109.5°
CAP	CAA	H9	109.5°	109.5°
CAP	CAA	H10	109.4°	109.5°
CAM	CAU	NAN	120.2°	120.6°
CAM	CAU	CAT	117.2°	119.7°
CAU	CAM	H6	119.9°	120.5°
CAP	NAN	CAU	120.6°	121.7°
NAN	CAU	CAT	122.6°	119.7°
CAU	CAT	CAI	120.0°	120.1°
CAU	CAT	CAJ	119.6°	120.1°
CAT	CAI	CAD	120.9°	119.9°
CAI	CAT	CAJ	120.3°	119.7°
CAT	CAI	H11	119.5°	120.1°
CAI	CAD	CAC	118.2°	120.1°
CAD	CAI	H11	119.5°	120.0°
CAI	CAD	H12	120.9°	120.0°
CAT	CAJ	CAE	119.6°	119.9°
CAT	CAJ	H15	120.2°	120.1°
CAD	CAC	CAE	121.4°	120.2°
CAC	CAD	H12	120.9°	119.9°
CAD	CAC	H13	119.3°	119.9°
CAJ	CAE	CAC	119.5°	120.1°
CAJ	CAE	H14	120.2°	119.9°
CAE	CAJ	H15	120.2°	120.0°
CAE	CAC	H13	119.3°	119.9°
CAC	CAE	H14	120.3°	120.0°
H8	CAA	H9	109.4°	109.4°
H8	CAA	H10	109.5°	109.5°
H9	CAA	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAB	CAQ	CAG	CAL	179.4°	179.9°
OAB	CAQ	CAG	CAF	179.7°	180.0°
OAB	CAQ	CAL	CAR	179.9°	180.0°
OAB	CAQ	CAL	H1	0.1°	0.2°
OAB	CAQ	CAG	H3	0.4°	0.1°
CAQ	CAG	CAF	H3	180.0°	180.0°
CAG	CAQ	CAL	CAR	0.5°	0.0°
CAQ	CAG	CAF	CAH	0.2°	0.0°
CAG	CAQ	CAL	H1	179.5°	179.7°
CAG	CAQ	OAB	H2	180.0°	90.1°
CAQ	CAG	CAF	H4	179.9°	180.0°
CAL	CAQ	CAG	CAF	0.2°	0.0°
CAQ	CAL	CAR	H1	180.0°	179.8°
CAQ	CAL	CAR	CAH	0.7°	0.0°
CAQ	CAL	CAR	OAO	179.3°	179.7°
CAL	CAQ	OAB	H2	0.6°	90.0°
CAL	CAQ	CAG	H3	179.8°	180.0°
CAG	CAF	CAH	H4	180.0°	180.0°
CAG	CAF	CAH	CAR	0.3°	0.0°
CAG	CAF	CAH	H5	179.7°	180.0°
CAL	CAR	CAH	CAF	0.6°	0.0°
CAL	CAR	CAH	OAO	178.6°	179.7°
CAL	CAR	OAO	CAS	109.0°	67.6°
CAL	CAR	CAH	H5	179.4°	180.0°
CAF	CAH	CAR	H5	180.0°	180.0°
CAF	CAH	CAR	OAO	179.2°	179.7°
CAH	CAF	CAG	H3	179.9°	179.9°
CAH	CAR	OAO	CAS	72.3°	112.7°
CAH	CAR	CAL	H1	179.3°	179.8°
CAR	CAH	CAF	H4	179.7°	180.0°
CAR	OAO	CAS	CAK	98.7°	6.1°
CAR	OAO	CAS	CAM	83.9°	173.6°
OAO	CAR	CAL	H1	0.7°	0.1°
OAO	CAR	CAH	H5	0.8°	0.3°
OAO	CAS	CAK	CAM	177.5°	179.7°
OAO	CAS	CAK	CAP	178.0°	180.0°
OAO	CAS	CAM	CAU	178.7°	180.0°
OAO	CAS	CAM	H6	1.3°	0.1°
OAO	CAS	CAK	H7	2.0°	0.1°
CAS	CAK	CAP	H7	180.0°	179.9°
CAS	CAK	CAP	CAA	179.4°	180.0°
CAK	CAS	CAM	CAU	1.2°	0.3°
CAS	CAK	CAP	NAN	0.2°	0.1°
CAK	CAS	CAM	H6	178.8°	179.8°
CAM	CAS	CAK	CAP	0.6°	0.2°
CAS	CAM	CAU	H6	180.0°	179.9°
CAS	CAM	CAU	NAN	1.1°	0.0°
CAS	CAM	CAU	CAT	179.2°	180.0°
CAM	CAS	CAK	H7	179.4°	179.7°
CAK	CAP	CAA	NAN	179.2°	180.0°
CAK	CAP	NAN	CAU	0.3°	0.3°
CAK	CAP	CAA	H8	179.2°	90.0°
CAK	CAP	CAA	H9	59.3°	150.0°
CAK	CAP	CAA	H10	60.8°	30.0°
CAA	CAP	NAN	CAU	179.5°	179.7°
CAA	CAP	CAK	H7	0.6°	0.1°
CAP	CAA	H8	H9	120.0°	120.0°
CAP	CAA	H8	H10	120.0°	120.0°
CAP	CAA	H9	H10	120.0°	120.0°
CAM	CAU	NAN	CAP	0.3°	0.3°
CAM	CAU	NAN	CAT	178.0°	180.0°
CAM	CAU	CAT	CAI	54.8°	0.2°
CAM	CAU	CAT	CAJ	121.8°	180.0°
CAP	NAN	CAU	CAT	178.3°	179.7°
NAN	CAP	CAK	H7	179.8°	180.0°
NAN	CAP	CAA	H8	0.0°	90.0°
NAN	CAP	CAA	H9	120.0°	30.0°
NAN	CAP	CAA	H10	120.0°	150.1°
NAN	CAU	CAT	CAI	127.2°	179.8°
NAN	CAU	CAT	CAJ	56.3°	0.0°
NAN	CAU	CAM	H6	178.9°	179.9°
CAU	CAT	CAI	CAJ	176.5°	179.8°
CAU	CAT	CAI	CAD	178.5°	180.0°
CAU	CAT	CAJ	CAE	178.3°	179.7°
CAT	CAU	CAM	H6	0.8°	0.1°
CAU	CAT	CAI	H11	1.5°	0.0°
CAU	CAT	CAJ	H15	1.8°	0.0°
CAT	CAI	CAD	H11	180.0°	180.0°
CAT	CAI	CAD	CAC	1.2°	0.0°
CAI	CAT	CAJ	CAE	1.7°	0.6°
CAT	CAI	CAD	H12	178.8°	180.0°
CAI	CAT	CAJ	H15	178.3°	179.8°
CAD	CAI	CAT	CAJ	2.0°	0.2°
CAI	CAD	CAC	H12	180.0°	180.0°
CAI	CAD	CAC	CAE	0.2°	0.0°
CAI	CAD	CAC	H13	179.8°	179.9°
CAT	CAJ	CAE	H15	180.0°	179.7°
CAT	CAJ	CAE	CAC	0.7°	0.6°
CAJ	CAT	CAI	H11	178.0°	179.8°
CAT	CAJ	CAE	H14	179.3°	179.8°
CAD	CAC	CAE	CAJ	0.1°	0.3°
CAD	CAC	CAE	H13	180.0°	180.0°
CAC	CAD	CAI	H11	178.8°	180.0°
CAD	CAC	CAE	H14	180.0°	180.0°
CAJ	CAE	CAC	H14	180.0°	179.6°
CAJ	CAE	CAC	H13	179.9°	179.6°
CAE	CAC	CAD	H12	179.8°	180.0°
CAC	CAE	CAJ	H15	179.3°	179.7°
H3	CAG	CAF	H4	0.1°	0.1°
H4	CAF	CAH	H5	0.3°	0.0°
H8	CAA	H9	H10	120.0°	120.0°
H11	CAI	CAD	H12	1.2°	0.0°
H12	CAD	CAC	H13	0.2°	0.1°
H13	CAC	CAE	H14	0.0°	0.0°
H14	CAE	CAJ	H15	0.7°	0.1°

Release date:	2014-10-15
Definition date:	2014-04-22
Last modified:	2014-10-10
Release status:	REL
Processing site:	RCSB
Derived from:	4P7M