84J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAE	PBA	doub	1.48Å	1.52Å
OAF	PBA	sing	1.61Å	1.52Å
OAB	PBA	sing	1.61Å	1.50Å
PBA	CAZ	sing	1.82Å	1.79Å
OAD	CAT	sing	1.36Å	1.38Å
CAT	NAP	doub	1.32Å	1.31Å	Aromatic
CAT	CAS	sing	1.41Å	1.35Å	Aromatic
NAP	CAX	sing	1.34Å	1.36Å	Aromatic
CAZ	NAQ	sing	1.47Å	1.45Å
CAZ	CAV	sing	1.51Å	1.51Å
OAC	CAS	sing	1.36Å	1.37Å
CAS	NAO	doub	1.32Å	1.32Å	Aromatic
CAX	CAV	doub	1.40Å	1.39Å	Aromatic
CAX	CAW	sing	1.42Å	1.42Å	Aromatic
NAQ	CAY	sing	1.47Å	1.44Å
CAV	CAK	sing	1.36Å	1.38Å	Aromatic
NAO	CAW	sing	1.34Å	1.35Å	Aromatic
CAW	CAN	doub	1.40Å	1.39Å	Aromatic
CAK	CAH	doub	1.39Å	1.39Å	Aromatic
CAN	CAH	sing	1.36Å	1.39Å	Aromatic
CAM	CAJ	doub	1.38Å	1.38Å	Aromatic
CAM	CAU	sing	1.38Å	1.39Å	Aromatic
CAJ	CAR	sing	1.38Å	1.39Å	Aromatic
CAY	CAU	sing	1.51Å	1.53Å
CAY	CAA	sing	1.53Å	1.52Å
CAU	CAL	doub	1.38Å	1.39Å	Aromatic
BRAG	CAR	sing	1.89Å	1.92Å
CAR	CAI	doub	1.38Å	1.40Å	Aromatic
CAL	CAI	sing	1.38Å	1.39Å	Aromatic
CAY	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAA	H4	sing	1.09Å	1.10Å
NAQ	H5	sing	1.01Å	1.00Å
CAZ	H7	sing	1.09Å	1.10Å
OAF	H8	sing	0.97Å	0.95Å
OAB	H9	sing	0.97Å	0.95Å
CAN	H12	sing	1.08Å	1.08Å
CAH	H13	sing	1.08Å	1.08Å
CAK	H14	sing	1.08Å	1.08Å
CAL	H15	sing	1.08Å	1.08Å
CAI	H16	sing	1.08Å	1.08Å
CAJ	H17	sing	1.08Å	1.08Å
CAM	H18	sing	1.08Å	1.08Å
OAD	H6	sing	0.97Å	0.95Å
OAC	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAE	PBA	OAF	112.4°	109.5°
OAE	PBA	OAB	110.9°	109.4°
OAE	PBA	CAZ	107.0°	109.5°
OAF	PBA	OAB	110.1°	109.5°
OAF	PBA	CAZ	109.3°	109.5°
PBA	OAF	H8	109.5°	114.0°
OAB	PBA	CAZ	107.0°	109.5°
PBA	OAB	H9	109.5°	114.0°
PBA	CAZ	NAQ	105.6°	109.4°
PBA	CAZ	CAV	118.7°	109.5°
PBA	CAZ	H7	104.4°	109.5°
OAD	CAT	NAP	118.0°	119.8°
OAD	CAT	CAS	121.8°	119.7°
CAT	OAD	H6	109.5°	114.1°
NAP	CAT	CAS	120.2°	120.5°
CAT	NAP	CAX	120.9°	119.8°
CAT	CAS	OAC	120.8°	119.8°
CAT	CAS	NAO	121.0°	120.4°
NAP	CAX	CAV	121.9°	120.9°
NAP	CAX	CAW	119.5°	119.7°
NAQ	CAZ	CAV	112.6°	109.5°
CAZ	NAQ	CAY	118.3°	111.0°
CAZ	NAQ	H5	107.2°	111.0°
NAQ	CAZ	H7	107.8°	109.4°
CAZ	CAV	CAX	121.0°	120.1°
CAZ	CAV	CAK	116.7°	120.2°
CAV	CAZ	H7	107.1°	109.5°
OAC	CAS	NAO	118.3°	119.8°
CAS	OAC	H10	109.5°	114.0°
CAS	NAO	CAW	121.9°	119.8°
CAV	CAX	CAW	118.7°	119.3°
CAX	CAV	CAK	122.1°	119.7°
CAX	CAW	NAO	116.5°	119.7°
CAX	CAW	CAN	119.0°	119.3°
NAQ	CAY	CAU	105.8°	109.5°
NAQ	CAY	CAA	112.1°	109.4°
NAQ	CAY	H1	109.2°	109.5°
CAY	NAQ	H5	107.2°	111.0°
CAV	CAK	CAH	118.7°	121.0°
CAV	CAK	H14	120.7°	119.5°
NAO	CAW	CAN	124.5°	120.9°
CAW	CAN	CAH	121.0°	119.7°
CAW	CAN	H12	119.5°	120.1°
CAK	CAH	CAN	120.6°	120.9°
CAK	CAH	H13	119.7°	119.6°
CAH	CAK	H14	120.6°	119.5°
CAH	CAN	H12	119.5°	120.1°
CAN	CAH	H13	119.7°	119.5°
CAJ	CAM	CAU	120.9°	120.0°
CAM	CAJ	CAR	119.6°	120.0°
CAM	CAJ	H17	120.2°	120.0°
CAJ	CAM	H18	119.5°	120.0°
CAM	CAU	CAY	118.6°	120.0°
CAM	CAU	CAL	119.3°	120.0°
CAU	CAM	H18	119.5°	120.0°
CAJ	CAR	BRAG	119.1°	120.0°
CAJ	CAR	CAI	120.5°	120.0°
CAR	CAJ	H17	120.2°	120.0°
CAU	CAY	CAA	113.6°	109.5°
CAY	CAU	CAL	122.0°	120.0°
CAU	CAY	H1	108.0°	109.5°
CAA	CAY	H1	108.1°	109.5°
CAY	CAA	H2	109.5°	109.5°
CAY	CAA	H3	109.5°	109.5°
CAY	CAA	H4	109.4°	109.5°
CAU	CAL	CAI	120.5°	120.0°
CAU	CAL	H15	119.8°	120.0°
BRAG	CAR	CAI	120.4°	120.0°
CAR	CAI	CAL	119.1°	120.0°
CAR	CAI	H16	120.4°	120.0°
CAI	CAL	H15	119.7°	120.0°
CAL	CAI	H16	120.5°	119.9°
H2	CAA	H3	109.5°	109.4°
H2	CAA	H4	109.5°	109.5°
H3	CAA	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAE	PBA	OAF	OAB	124.2°	120.0°
OAE	PBA	OAF	CAZ	118.6°	120.0°
OAE	PBA	OAB	CAZ	116.3°	120.0°
OAE	PBA	CAZ	NAQ	60.9°	66.1°
OAE	PBA	CAZ	CAV	66.4°	53.9°
OAE	PBA	CAZ	H7	174.5°	173.9°
OAE	PBA	OAF	H8	0.0°	53.0°
OAE	PBA	OAB	H9	0.0°	60.0°
OAF	PBA	OAB	CAZ	118.7°	120.0°
OAF	PBA	CAZ	NAQ	177.1°	53.9°
OAF	PBA	CAZ	CAV	55.5°	173.9°
OAF	PBA	CAZ	H7	63.6°	66.0°
OAF	PBA	OAB	H9	125.0°	180.0°
OAB	PBA	CAZ	NAQ	57.9°	173.9°
OAB	PBA	CAZ	CAV	174.7°	66.1°
OAB	PBA	CAZ	H7	55.6°	54.0°
OAB	PBA	OAF	H8	124.2°	173.0°
PBA	CAZ	NAQ	CAV	131.0°	120.0°
PBA	CAZ	NAQ	H7	111.1°	119.9°
PBA	CAZ	CAV	H7	117.7°	120.0°
PBA	CAZ	CAV	CAX	77.8°	75.3°
PBA	CAZ	NAQ	CAY	180.0°	107.3°
PBA	CAZ	CAV	CAK	106.5°	105.0°
PBA	CAZ	NAQ	H5	58.8°	16.8°
CAZ	PBA	OAF	H8	118.6°	67.0°
CAZ	PBA	OAB	H9	116.3°	60.0°
OAD	CAT	NAP	CAS	179.3°	179.9°
OAD	CAT	NAP	CAX	179.4°	180.0°
OAD	CAT	CAS	OAC	1.3°	0.1°
OAD	CAT	CAS	NAO	178.5°	179.9°
NAP	CAT	CAS	OAC	177.9°	180.0°
NAP	CAT	CAS	NAO	2.3°	0.0°
CAT	NAP	CAX	CAV	179.0°	180.0°
CAT	NAP	CAX	CAW	0.2°	0.1°
NAP	CAT	OAD	H6	0.0°	90.0°
CAS	CAT	NAP	CAX	1.4°	0.1°
CAT	CAS	OAC	NAO	179.8°	180.0°
CAT	CAS	NAO	CAW	1.9°	0.0°
CAS	CAT	OAD	H6	179.2°	89.9°
CAT	CAS	OAC	H10	179.8°	90.0°
NAP	CAX	CAV	CAZ	5.2°	0.0°
NAP	CAX	CAV	CAW	179.2°	179.9°
NAP	CAX	CAV	CAK	179.3°	179.7°
NAP	CAX	CAW	NAO	0.2°	0.0°
NAP	CAX	CAW	CAN	178.7°	180.0°
NAQ	CAZ	CAV	H7	118.3°	120.0°
NAQ	CAZ	CAV	CAX	46.2°	164.7°
CAZ	NAQ	CAY	H5	121.2°	124.0°
NAQ	CAZ	CAV	CAK	129.5°	15.0°
CAZ	NAQ	CAY	CAU	162.1°	152.1°
CAZ	NAQ	CAY	CAA	73.6°	87.9°
CAZ	NAQ	CAY	H1	46.1°	32.1°
CAZ	CAV	CAX	CAK	175.5°	179.7°
CAZ	CAV	CAX	CAW	175.6°	180.0°
CAV	CAZ	NAQ	CAY	49.0°	132.7°
CAZ	CAV	CAK	CAH	175.2°	179.8°
CAV	CAZ	NAQ	H5	170.2°	103.3°
CAZ	CAV	CAK	H14	4.8°	0.1°
OAC	CAS	NAO	CAW	178.2°	180.0°
CAS	NAO	CAW	CAX	0.7°	0.0°
CAS	NAO	CAW	CAN	179.5°	180.0°
NAO	CAS	OAC	H10	0.0°	90.0°
CAV	CAX	CAW	NAO	179.4°	180.0°
CAV	CAX	CAW	CAN	0.6°	0.1°
CAX	CAV	CAK	CAH	0.5°	0.5°
CAX	CAV	CAZ	H7	164.6°	44.8°
CAX	CAV	CAK	H14	179.5°	179.8°
CAW	CAX	CAV	CAK	0.1°	0.2°
CAX	CAW	NAO	CAN	178.8°	180.0°
CAX	CAW	CAN	CAH	1.7°	0.1°
CAX	CAW	CAN	H12	178.3°	180.0°
NAQ	CAY	CAU	CAM	89.3°	140.0°
NAQ	CAY	CAU	CAA	123.4°	120.0°
NAQ	CAY	CAU	H1	116.8°	120.0°
NAQ	CAY	CAA	H1	120.4°	120.0°
NAQ	CAY	CAU	CAL	88.1°	40.4°
NAQ	CAY	CAA	H2	180.0°	68.2°
NAQ	CAY	CAA	H3	60.0°	51.8°
NAQ	CAY	CAA	H4	60.0°	171.8°
CAY	NAQ	CAZ	H7	68.9°	12.7°
CAV	CAK	CAH	H14	180.0°	179.6°
CAV	CAK	CAH	CAN	1.6°	0.5°
CAK	CAV	CAZ	H7	11.2°	135.0°
CAV	CAK	CAH	H13	178.4°	179.7°
NAO	CAW	CAN	CAH	179.5°	179.9°
NAO	CAW	CAN	H12	0.5°	0.0°
CAW	CAN	CAH	CAK	2.3°	0.2°
CAW	CAN	CAH	H12	180.0°	180.0°
CAW	CAN	CAH	H13	177.7°	180.0°
CAK	CAH	CAN	H13	180.0°	179.8°
CAK	CAH	CAN	H12	177.7°	179.8°
CAN	CAH	CAK	H14	178.4°	179.8°
CAJ	CAM	CAU	H18	180.0°	179.8°
CAM	CAJ	CAR	H17	180.0°	180.0°
CAJ	CAM	CAU	CAY	178.7°	180.0°
CAJ	CAM	CAU	CAL	1.3°	0.4°
CAM	CAJ	CAR	BRAG	179.6°	179.9°
CAM	CAJ	CAR	CAI	0.4°	0.0°
CAU	CAM	CAJ	CAR	0.4°	0.2°
CAM	CAU	CAY	CAL	177.3°	179.6°
CAM	CAU	CAY	CAA	147.4°	100.0°
CAM	CAU	CAL	CAI	1.3°	0.4°
CAM	CAU	CAY	H1	27.5°	20.0°
CAM	CAU	CAL	H15	178.7°	179.8°
CAU	CAM	CAJ	H17	179.6°	179.8°
CAJ	CAR	BRAG	CAI	179.1°	179.9°
CAJ	CAR	CAI	CAL	0.4°	0.0°
CAJ	CAR	CAI	H16	179.6°	180.0°
CAR	CAJ	CAM	H18	179.6°	180.0°
CAU	CAY	CAA	H1	119.8°	120.0°
CAY	CAU	CAL	CAI	178.6°	180.0°
CAU	CAY	CAA	H2	60.1°	171.9°
CAU	CAY	CAA	H3	179.8°	68.2°
CAU	CAY	CAA	H4	59.8°	51.8°
CAU	CAY	NAQ	H5	76.7°	83.8°
CAY	CAU	CAL	H15	1.4°	0.2°
CAY	CAU	CAM	H18	1.3°	0.2°
CAA	CAY	CAU	CAL	35.3°	79.5°
CAY	CAA	H2	H3	120.0°	120.0°
CAY	CAA	H2	H4	120.0°	120.0°
CAY	CAA	H3	H4	120.0°	120.0°
CAA	CAY	NAQ	H5	47.6°	36.1°
CAU	CAL	CAI	CAR	0.5°	0.2°
CAU	CAL	CAI	H15	180.0°	179.8°
CAL	CAU	CAY	H1	155.2°	160.5°
CAU	CAL	CAI	H16	179.5°	179.8°
CAL	CAU	CAM	H18	178.7°	179.8°
BRAG	CAR	CAI	CAL	179.5°	179.9°
BRAG	CAR	CAI	H16	0.5°	0.1°
BRAG	CAR	CAJ	H17	0.4°	0.0°
CAR	CAI	CAL	H16	180.0°	180.0°
CAR	CAI	CAL	H15	179.5°	180.0°
CAI	CAR	CAJ	H17	179.6°	180.0°
H1	CAY	CAA	H2	59.7°	51.8°
H1	CAY	CAA	H3	60.4°	171.8°
H1	CAY	CAA	H4	179.6°	68.2°
H1	CAY	NAQ	H5	167.3°	156.1°
H2	CAA	H3	H4	120.0°	120.0°
H5	NAQ	CAZ	H7	52.3°	136.7°
H12	CAN	CAH	H13	2.3°	0.0°
H13	CAH	CAK	H14	1.6°	0.0°
H15	CAL	CAI	H16	0.5°	0.0°
H17	CAJ	CAM	H18	0.4°	0.0°

Release date:	2017-05-17
Definition date:	2016-12-23
Last modified:	2017-05-12
Release status:	REL
Processing site:	RCSB
Derived from:	5U8C