1UT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAP	CAO	doub	1.38Å	1.43Å	Aromatic
CAP	CAQ	sing	1.39Å	1.42Å	Aromatic
CAO	CAN	sing	1.39Å	1.40Å	Aromatic
CAQ	CAR	doub	1.38Å	1.42Å	Aromatic
OAM	CAL	doub	1.22Å	1.27Å
CAN	CAL	sing	1.48Å	1.41Å
CAN	CAS	doub	1.40Å	1.41Å	Aromatic
CAL	CAK	sing	1.41Å	1.39Å
CAR	CAS	sing	1.39Å	1.38Å	Aromatic
CAS	OAT	sing	1.35Å	1.37Å
CAK	CAJ	doub	1.36Å	1.39Å
OAT	CAJ	sing	1.34Å	1.34Å
CAJ	CAG	sing	1.47Å	1.44Å
CAG	CAF	doub	1.40Å	1.39Å	Aromatic
CAG	CAH	sing	1.40Å	1.40Å	Aromatic
CAF	CAE	sing	1.38Å	1.41Å	Aromatic
CAH	CAI	doub	1.38Å	1.41Å	Aromatic
CAE	CAD	doub	1.39Å	1.39Å	Aromatic
CAI	CAD	sing	1.39Å	1.39Å	Aromatic
CAD	NAB	sing	1.39Å	1.38Å
NAB	CAC	sing	1.47Å	1.46Å
NAB	CAA	sing	1.46Å	1.48Å
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAC	H4	sing	1.09Å	1.10Å
CAC	H5	sing	1.09Å	1.10Å
CAC	H6	sing	1.09Å	1.10Å
CAI	H7	sing	1.08Å	1.08Å
CAH	H8	sing	1.08Å	1.08Å
CAE	H9	sing	1.08Å	1.08Å
CAF	H10	sing	1.08Å	1.08Å
CAR	H11	sing	1.08Å	1.08Å
CAQ	H12	sing	1.08Å	1.08Å
CAP	H13	sing	1.08Å	1.08Å
CAO	H14	sing	1.08Å	1.08Å
CAK	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAO	CAP	CAQ	120.1°	120.3°
CAP	CAO	CAN	120.4°	119.6°
CAO	CAP	H13	120.0°	119.9°
CAP	CAO	H14	119.8°	120.2°
CAP	CAQ	CAR	118.6°	120.7°
CAP	CAQ	H12	120.7°	119.7°
CAQ	CAP	H13	119.9°	119.8°
CAO	CAN	CAL	120.8°	121.3°
CAO	CAN	CAS	118.1°	120.2°
CAN	CAO	H14	119.8°	120.2°
CAQ	CAR	CAS	119.9°	120.0°
CAQ	CAR	H11	120.0°	120.0°
CAR	CAQ	H12	120.7°	119.7°
OAM	CAL	CAN	123.2°	121.3°
OAM	CAL	CAK	120.9°	121.3°
CAL	CAN	CAS	121.0°	118.5°
CAN	CAL	CAK	115.4°	117.3°
CAN	CAS	CAR	122.8°	119.3°
CAN	CAS	OAT	119.9°	119.8°
CAL	CAK	CAJ	122.7°	119.5°
CAL	CAK	H15	118.6°	120.2°
CAR	CAS	OAT	117.2°	120.9°
CAS	CAR	H11	120.0°	120.0°
CAS	OAT	CAJ	120.2°	122.3°
CAK	CAJ	OAT	120.6°	122.6°
CAK	CAJ	CAG	125.4°	118.7°
CAJ	CAK	H15	118.6°	120.3°
OAT	CAJ	CAG	114.0°	118.7°
CAJ	CAG	CAF	122.5°	120.1°
CAJ	CAG	CAH	120.3°	120.1°
CAF	CAG	CAH	117.2°	119.8°
CAG	CAF	CAE	122.2°	119.9°
CAG	CAF	H10	118.9°	120.0°
CAG	CAH	CAI	120.5°	119.9°
CAG	CAH	H8	119.7°	120.0°
CAF	CAE	CAD	120.2°	120.1°
CAF	CAE	H9	119.9°	119.9°
CAE	CAF	H10	118.9°	120.1°
CAH	CAI	CAD	121.9°	120.0°
CAH	CAI	H7	119.0°	120.0°
CAI	CAH	H8	119.8°	120.0°
CAE	CAD	CAI	117.9°	120.2°
CAE	CAD	NAB	121.0°	119.9°
CAD	CAE	H9	119.9°	120.0°
CAI	CAD	NAB	121.1°	119.9°
CAD	CAI	H7	119.0°	120.0°
CAD	NAB	CAC	118.8°	120.0°
CAD	NAB	CAA	120.6°	120.0°
CAC	NAB	CAA	119.6°	120.0°
NAB	CAC	H4	109.5°	109.5°
NAB	CAC	H5	109.5°	109.5°
NAB	CAC	H6	109.5°	109.4°
NAB	CAA	H1	109.5°	109.5°
NAB	CAA	H2	109.5°	109.5°
NAB	CAA	H3	109.5°	109.5°
H1	CAA	H2	109.5°	109.4°
H1	CAA	H3	109.4°	109.4°
H2	CAA	H3	109.5°	109.4°
H4	CAC	H5	109.4°	109.5°
H4	CAC	H6	109.5°	109.5°
H5	CAC	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAO	CAP	CAQ	H13	180.0°	179.9°
CAP	CAO	CAN	H14	180.0°	179.9°
CAO	CAP	CAQ	CAR	1.2°	0.0°
CAP	CAO	CAN	CAL	179.1°	180.0°
CAP	CAO	CAN	CAS	1.5°	0.0°
CAO	CAP	CAQ	H12	178.7°	180.0°
CAQ	CAP	CAO	CAN	1.6°	0.0°
CAP	CAQ	CAR	H12	180.0°	180.0°
CAP	CAQ	CAR	CAS	0.9°	0.0°
CAP	CAQ	CAR	H11	179.1°	180.0°
CAQ	CAP	CAO	H14	178.4°	180.0°
CAO	CAN	CAL	OAM	10.2°	0.1°
CAO	CAN	CAL	CAS	177.5°	179.9°
CAO	CAN	CAL	CAK	177.7°	179.8°
CAO	CAN	CAS	CAR	1.2°	0.0°
CAO	CAN	CAS	OAT	176.8°	179.9°
CAN	CAO	CAP	H13	178.4°	180.0°
CAQ	CAR	CAS	CAN	0.9°	0.0°
CAQ	CAR	CAS	H11	180.0°	180.0°
CAQ	CAR	CAS	OAT	176.7°	179.9°
CAR	CAQ	CAP	H13	178.8°	179.9°
OAM	CAL	CAN	CAK	172.1°	179.7°
OAM	CAL	CAN	CAS	167.3°	180.0°
OAM	CAL	CAK	CAJ	170.7°	179.8°
OAM	CAL	CAK	H15	9.3°	0.2°
CAL	CAN	CAS	CAR	178.8°	179.9°
CAL	CAN	CAS	OAT	5.6°	0.0°
CAN	CAL	CAK	CAJ	1.6°	0.5°
CAL	CAN	CAO	H14	0.9°	0.1°
CAN	CAL	CAK	H15	178.4°	180.0°
CAS	CAN	CAL	CAK	4.9°	0.3°
CAN	CAS	CAR	OAT	175.7°	179.9°
CAN	CAS	OAT	CAJ	2.8°	0.1°
CAN	CAS	CAR	H11	179.1°	180.0°
CAS	CAN	CAO	H14	178.5°	180.0°
CAL	CAK	CAJ	H15	180.0°	179.5°
CAL	CAK	CAJ	OAT	1.1°	0.5°
CAL	CAK	CAJ	CAG	176.5°	179.8°
CAR	CAS	OAT	CAJ	178.6°	180.0°
CAS	CAR	CAQ	H12	179.1°	179.9°
CAS	OAT	CAJ	CAK	0.5°	0.2°
CAS	OAT	CAJ	CAG	177.3°	179.9°
OAT	CAS	CAR	H11	3.4°	0.1°
CAK	CAJ	OAT	CAG	177.9°	179.8°
CAK	CAJ	CAG	CAF	8.4°	179.8°
CAK	CAJ	CAG	CAH	173.8°	0.5°
OAT	CAJ	CAG	CAF	169.3°	0.0°
OAT	CAJ	CAG	CAH	8.5°	179.7°
OAT	CAJ	CAK	H15	178.9°	180.0°
CAJ	CAG	CAF	CAH	177.9°	179.7°
CAJ	CAG	CAF	CAE	178.8°	180.0°
CAJ	CAG	CAH	CAI	176.9°	180.0°
CAJ	CAG	CAH	H8	3.1°	0.1°
CAJ	CAG	CAF	H10	1.3°	0.0°
CAG	CAJ	CAK	H15	3.5°	0.2°
CAG	CAF	CAE	H10	180.0°	180.0°
CAF	CAG	CAH	CAI	1.0°	0.3°
CAG	CAF	CAE	CAD	0.8°	0.0°
CAF	CAG	CAH	H8	179.0°	179.8°
CAG	CAF	CAE	H9	179.2°	180.0°
CAH	CAG	CAF	CAE	0.9°	0.3°
CAG	CAH	CAI	H8	180.0°	179.9°
CAG	CAH	CAI	CAD	3.0°	0.0°
CAG	CAH	CAI	H7	177.0°	179.9°
CAH	CAG	CAF	H10	179.2°	179.7°
CAF	CAE	CAD	H9	180.0°	180.0°
CAF	CAE	CAD	CAI	1.1°	0.3°
CAF	CAE	CAD	NAB	178.2°	180.0°
CAH	CAI	CAD	CAE	3.0°	0.3°
CAH	CAI	CAD	H7	180.0°	180.0°
CAH	CAI	CAD	NAB	179.9°	180.0°
CAE	CAD	CAI	NAB	177.2°	179.7°
CAE	CAD	NAB	CAC	18.5°	179.7°
CAE	CAD	NAB	CAA	173.1°	0.3°
CAE	CAD	CAI	H7	177.0°	179.7°
CAD	CAE	CAF	H10	179.2°	180.0°
CAI	CAD	NAB	CAC	158.6°	0.0°
CAI	CAD	NAB	CAA	9.8°	180.0°
CAD	CAI	CAH	H8	177.0°	179.9°
CAI	CAD	CAE	H9	178.9°	179.7°
CAD	NAB	CAC	CAA	168.5°	180.0°
CAD	NAB	CAA	H1	180.0°	90.0°
CAD	NAB	CAA	H2	60.0°	30.0°
CAD	NAB	CAA	H3	60.0°	150.0°
CAD	NAB	CAC	H4	180.0°	90.0°
CAD	NAB	CAC	H5	60.0°	30.0°
CAD	NAB	CAC	H6	60.0°	150.0°
NAB	CAD	CAI	H7	0.2°	0.1°
NAB	CAD	CAE	H9	1.7°	0.0°
CAC	NAB	CAA	H1	11.7°	90.0°
CAC	NAB	CAA	H2	131.7°	150.0°
CAC	NAB	CAA	H3	108.3°	30.0°
NAB	CAC	H4	H5	120.0°	120.1°
NAB	CAC	H4	H6	120.0°	119.9°
NAB	CAC	H5	H6	120.0°	119.9°
NAB	CAA	H1	H2	120.0°	120.1°
NAB	CAA	H1	H3	120.0°	120.0°
NAB	CAA	H2	H3	120.0°	120.0°
CAA	NAB	CAC	H4	11.5°	90.0°
CAA	NAB	CAC	H5	108.5°	150.0°
CAA	NAB	CAC	H6	131.5°	30.0°
H1	CAA	H2	H3	120.0°	119.9°
H4	CAC	H5	H6	120.0°	120.0°
H7	CAI	CAH	H8	3.0°	0.0°
H9	CAE	CAF	H10	0.8°	0.0°
H11	CAR	CAQ	H12	0.9°	0.1°
H12	CAQ	CAP	H13	1.3°	0.1°
H13	CAP	CAO	H14	1.6°	0.1°

Release date:	2013-10-30
Definition date:	2013-06-12
Last modified:	2013-10-25
Release status:	REL
Processing site:	RCSB
Derived from:	4L0B