5PU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAE	CAO	doub	1.22Å	1.20Å
CAO	OAA	sing	1.35Å	1.27Å
CAO	CAS	sing	1.48Å	1.57Å
CAI	CAS	doub	1.40Å	1.39Å	Aromatic
CAI	CAG	sing	1.38Å	1.43Å	Aromatic
CAS	CAJ	sing	1.40Å	1.37Å	Aromatic
CAG	CAR	doub	1.38Å	1.40Å	Aromatic
CAJ	CAH	doub	1.38Å	1.39Å	Aromatic
OAC	CAQ	doub	1.21Å	1.25Å
CAR	CAH	sing	1.38Å	1.39Å	Aromatic
CAR	CAM	sing	1.51Å	1.56Å
CAK	CAQ	sing	1.51Å	1.55Å
CAK	CAL	sing	1.53Å	1.57Å
CAQ	NAN	sing	1.35Å	1.32Å
CAL	CAT	sing	1.53Å	1.54Å
CAT	CAM	sing	1.53Å	1.56Å
CAT	CAP	sing	1.51Å	1.56Å
NAN	OAD	sing	1.42Å	1.37Å
OAB	CAP	doub	1.21Å	1.24Å
CAP	OAF	sing	1.34Å	1.23Å
CAG	H1	sing	1.08Å	1.08Å
CAI	H2	sing	1.08Å	1.08Å
OAA	H3	sing	0.97Å	0.95Å
CAJ	H4	sing	1.08Å	1.08Å
CAH	H5	sing	1.08Å	1.08Å
CAM	H6	sing	1.09Å	1.10Å
CAM	H7	sing	1.09Å	1.10Å
CAT	H8	sing	1.09Å	1.10Å
OAF	H9	sing	0.97Å	0.95Å
CAL	H10	sing	1.09Å	1.10Å
CAL	H11	sing	1.09Å	1.10Å
CAK	H12	sing	1.09Å	1.10Å
CAK	H13	sing	1.09Å	1.10Å
NAN	H14	sing	0.97Å	1.00Å
OAD	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAE	CAO	OAA	125.8°	119.9°
OAE	CAO	CAS	115.1°	120.0°
OAA	CAO	CAS	118.7°	120.1°
CAO	OAA	H3	109.5°	117.0°
CAO	CAS	CAI	122.6°	120.2°
CAO	CAS	CAJ	115.4°	120.1°
CAS	CAI	CAG	117.4°	119.9°
CAI	CAS	CAJ	121.9°	119.7°
CAS	CAI	H2	121.3°	120.0°
CAI	CAG	CAR	119.7°	120.1°
CAI	CAG	H1	120.2°	119.9°
CAG	CAI	H2	121.3°	120.1°
CAS	CAJ	CAH	122.0°	119.9°
CAS	CAJ	H4	119.0°	120.1°
CAG	CAR	CAH	121.8°	120.3°
CAG	CAR	CAM	122.3°	119.8°
CAR	CAG	H1	120.2°	119.9°
CAJ	CAH	CAR	117.2°	120.2°
CAH	CAJ	H4	119.0°	120.1°
CAJ	CAH	H5	121.4°	119.9°
OAC	CAQ	CAK	122.8°	120.0°
OAC	CAQ	NAN	122.0°	120.0°
CAH	CAR	CAM	115.9°	119.9°
CAR	CAH	H5	121.4°	119.9°
CAR	CAM	CAT	113.1°	109.4°
CAR	CAM	H6	108.6°	109.4°
CAR	CAM	H7	108.6°	109.5°
CAQ	CAK	CAL	106.9°	109.5°
CAK	CAQ	NAN	115.2°	120.0°
CAQ	CAK	H12	110.1°	109.5°
CAQ	CAK	H13	110.1°	109.5°
CAK	CAL	CAT	114.2°	109.4°
CAK	CAL	H10	108.3°	109.5°
CAK	CAL	H11	108.3°	109.4°
CAL	CAK	H12	110.1°	109.5°
CAL	CAK	H13	110.1°	109.4°
CAQ	NAN	OAD	120.0°	120.0°
CAQ	NAN	H14	120.0°	119.9°
CAL	CAT	CAM	109.1°	109.5°
CAL	CAT	CAP	109.8°	109.5°
CAL	CAT	H8	110.7°	109.5°
CAT	CAL	H10	108.3°	109.5°
CAT	CAL	H11	108.3°	109.5°
CAM	CAT	CAP	106.4°	109.4°
CAT	CAM	H6	108.6°	109.5°
CAT	CAM	H7	108.6°	109.5°
CAM	CAT	H8	110.4°	109.5°
CAT	CAP	OAB	115.2°	120.0°
CAT	CAP	OAF	117.8°	120.0°
CAP	CAT	H8	110.4°	109.5°
OAD	NAN	H14	120.0°	120.0°
NAN	OAD	H15	109.5°	114.0°
OAB	CAP	OAF	126.4°	120.0°
CAP	OAF	H9	109.5°	117.0°
H6	CAM	H7	109.4°	109.5°
H10	CAL	H11	109.5°	109.5°
H12	CAK	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAE	CAO	OAA	CAS	173.7°	179.9°
OAE	CAO	CAS	CAI	2.6°	0.0°
OAE	CAO	CAS	CAJ	178.6°	180.0°
OAE	CAO	OAA	H3	0.0°	0.1°
OAA	CAO	CAS	CAI	171.7°	180.0°
OAA	CAO	CAS	CAJ	4.2°	0.0°
CAO	CAS	CAI	CAJ	175.7°	180.0°
CAO	CAS	CAI	CAG	177.5°	180.0°
CAO	CAS	CAJ	CAH	178.2°	180.0°
CAO	CAS	CAI	H2	2.5°	0.0°
CAS	CAO	OAA	H3	173.7°	180.0°
CAO	CAS	CAJ	H4	1.8°	0.0°
CAS	CAI	CAG	H2	180.0°	180.0°
CAS	CAI	CAG	CAR	0.8°	0.0°
CAI	CAS	CAJ	CAH	2.3°	0.1°
CAS	CAI	CAG	H1	179.2°	179.7°
CAI	CAS	CAJ	H4	177.7°	180.0°
CAG	CAI	CAS	CAJ	1.8°	0.0°
CAI	CAG	CAR	H1	180.0°	179.7°
CAI	CAG	CAR	CAH	0.2°	0.0°
CAI	CAG	CAR	CAM	179.9°	179.7°
CAS	CAJ	CAH	H4	180.0°	179.9°
CAS	CAJ	CAH	CAR	1.6°	0.1°
CAJ	CAS	CAI	H2	178.2°	180.0°
CAS	CAJ	CAH	H5	178.4°	180.0°
CAG	CAR	CAH	CAJ	0.6°	0.1°
CAG	CAR	CAH	CAM	179.9°	179.7°
CAG	CAR	CAM	CAT	64.4°	84.6°
CAR	CAG	CAI	H2	179.2°	180.0°
CAG	CAR	CAH	H5	179.4°	180.0°
CAG	CAR	CAM	H6	175.1°	155.4°
CAG	CAR	CAM	H7	56.2°	35.4°
CAJ	CAH	CAR	H5	180.0°	179.9°
CAJ	CAH	CAR	CAM	179.5°	179.8°
OAC	CAQ	CAK	NAN	179.7°	180.0°
OAC	CAQ	CAK	CAL	64.0°	0.0°
OAC	CAQ	NAN	OAD	12.8°	0.0°
OAC	CAQ	CAK	H12	55.6°	120.0°
OAC	CAQ	CAK	H13	176.4°	120.0°
OAC	CAQ	NAN	H14	167.2°	180.0°
CAH	CAR	CAM	CAT	115.5°	95.6°
CAH	CAR	CAG	H1	179.8°	179.7°
CAR	CAH	CAJ	H4	178.4°	180.0°
CAH	CAR	CAM	H6	5.0°	24.3°
CAH	CAR	CAM	H7	123.9°	144.3°
CAR	CAM	CAT	CAL	66.2°	65.4°
CAR	CAM	CAT	H6	120.6°	119.9°
CAR	CAM	CAT	H7	120.5°	120.0°
CAR	CAM	CAT	CAP	175.4°	174.6°
CAM	CAR	CAG	H1	0.1°	0.0°
CAM	CAR	CAH	H5	0.5°	0.3°
CAR	CAM	H6	H7	118.3°	120.0°
CAR	CAM	CAT	H8	55.6°	54.7°
CAQ	CAK	CAL	H12	119.6°	120.0°
CAQ	CAK	CAL	H13	119.6°	120.0°
CAQ	CAK	CAL	CAT	171.6°	180.0°
CAK	CAQ	NAN	OAD	167.5°	180.0°
CAQ	CAK	CAL	H10	50.9°	60.0°
CAQ	CAK	CAL	H11	67.7°	60.0°
CAQ	CAK	H12	H13	121.2°	120.0°
CAK	CAQ	NAN	H14	12.5°	0.0°
CAL	CAK	CAQ	NAN	116.3°	180.0°
CAK	CAL	CAT	H10	120.7°	120.0°
CAK	CAL	CAT	H11	120.7°	120.0°
CAK	CAL	CAT	CAM	168.9°	175.0°
CAK	CAL	CAT	CAP	74.8°	65.0°
CAK	CAL	CAT	H8	47.3°	55.0°
CAK	CAL	H10	H11	117.9°	120.0°
CAL	CAK	H12	H13	121.2°	120.0°
CAQ	NAN	OAD	H14	180.0°	180.0°
NAN	CAQ	CAK	H12	124.1°	60.0°
NAN	CAQ	CAK	H13	3.3°	60.0°
CAQ	NAN	OAD	H15	6.0°	180.0°
CAL	CAT	CAM	CAP	118.4°	120.0°
CAL	CAT	CAM	H8	121.8°	120.0°
CAL	CAT	CAP	H8	122.3°	120.0°
CAL	CAT	CAP	OAB	160.0°	83.6°
CAL	CAT	CAP	OAF	28.6°	96.4°
CAL	CAT	CAM	H6	54.4°	54.6°
CAL	CAT	CAM	H7	173.3°	174.6°
CAT	CAL	H10	H11	117.8°	120.0°
CAT	CAL	CAK	H12	68.8°	60.0°
CAT	CAL	CAK	H13	52.0°	60.0°
CAM	CAT	CAP	H8	119.8°	120.0°
CAM	CAT	CAP	OAB	82.1°	36.4°
CAM	CAT	CAP	OAF	89.3°	143.6°
CAT	CAM	H6	H7	118.4°	120.0°
CAM	CAT	CAL	H10	70.3°	55.0°
CAM	CAT	CAL	H11	48.3°	65.0°
CAT	CAP	OAB	OAF	170.5°	180.0°
CAP	CAT	CAM	H6	64.0°	65.4°
CAP	CAT	CAM	H7	54.9°	54.6°
CAT	CAP	OAF	H9	170.3°	180.0°
CAP	CAT	CAL	H10	45.9°	175.0°
CAP	CAT	CAL	H11	164.5°	55.0°
OAB	CAP	CAT	H8	37.7°	156.3°
OAB	CAP	OAF	H9	0.0°	0.0°
OAF	CAP	CAT	H8	150.9°	23.6°
H1	CAG	CAI	H2	0.8°	0.3°
H4	CAJ	CAH	H5	1.6°	0.1°
H6	CAM	CAT	H8	176.2°	174.6°
H7	CAM	CAT	H8	64.9°	65.4°
H8	CAT	CAL	H10	168.0°	65.0°
H8	CAT	CAL	H11	73.4°	175.0°
H10	CAL	CAK	H12	170.5°	180.0°
H10	CAL	CAK	H13	68.7°	60.0°
H11	CAL	CAK	H12	51.9°	60.0°
H11	CAL	CAK	H13	172.7°	180.0°
H14	NAN	OAD	H15	174.0°	0.0°

Release date:	2016-04-27
Definition date:	2015-11-05
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	5ELY