8KW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAQ	CAL	sing	1.36Å	1.37Å
CAL	CAK	doub	1.39Å	1.37Å	Aromatic
CAL	CAM	sing	1.39Å	1.41Å	Aromatic
CAK	CAC	sing	1.39Å	1.39Å	Aromatic
CAA	OAB	sing	1.43Å	1.42Å
CAM	CAE	doub	1.38Å	1.40Å	Aromatic
CAC	OAB	sing	1.36Å	1.35Å
CAC	CAD	doub	1.39Å	1.39Å	Aromatic
CAD	CAE	sing	1.38Å	1.39Å	Aromatic
CAE	CAF	sing	1.51Å	1.42Å
CAG	CAF	sing	1.53Å	1.56Å
CAG	CAH	sing	1.51Å	1.46Å
OAR	CAN	sing	1.36Å	1.33Å
CAH	CAN	doub	1.39Å	1.41Å	Aromatic
CAH	CAI	sing	1.38Å	1.38Å	Aromatic
CAN	CAO	sing	1.39Å	1.40Å	Aromatic
CAI	CAJ	doub	1.38Å	1.41Å	Aromatic
CAO	CAP	doub	1.38Å	1.38Å	Aromatic
CAJ	CAP	sing	1.38Å	1.39Å	Aromatic
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAD	H4	sing	1.08Å	1.08Å
CAK	H5	sing	1.08Å	1.08Å
OAQ	H6	sing	0.97Å	0.95Å
CAM	H7	sing	1.08Å	1.08Å
CAF	H8	sing	1.09Å	1.10Å
CAF	H9	sing	1.09Å	1.10Å
CAG	H10	sing	1.09Å	1.10Å
CAG	H11	sing	1.09Å	1.10Å
CAI	H12	sing	1.08Å	1.08Å
CAJ	H13	sing	1.08Å	1.08Å
CAP	H14	sing	1.08Å	1.08Å
CAO	H15	sing	1.08Å	1.08Å
OAR	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAQ	CAL	CAK	115.3°	120.0°
OAQ	CAL	CAM	127.0°	120.0°
CAL	OAQ	H6	109.5°	114.0°
CAK	CAL	CAM	117.8°	119.9°
CAL	CAK	CAC	120.2°	119.9°
CAL	CAK	H5	119.9°	120.0°
CAL	CAM	CAE	123.8°	120.1°
CAL	CAM	H7	118.1°	120.0°
CAK	CAC	OAB	120.2°	120.0°
CAK	CAC	CAD	121.1°	120.0°
CAC	CAK	H5	119.9°	120.1°
CAA	OAB	CAC	114.4°	117.0°
OAB	CAA	H1	109.5°	109.5°
OAB	CAA	H2	109.4°	109.5°
OAB	CAA	H3	109.5°	109.5°
CAM	CAE	CAD	116.1°	120.1°
CAM	CAE	CAF	128.1°	120.0°
CAE	CAM	H7	118.1°	119.9°
OAB	CAC	CAD	118.8°	120.0°
CAC	CAD	CAE	121.1°	120.1°
CAC	CAD	H4	119.4°	120.0°
CAD	CAE	CAF	115.8°	120.0°
CAE	CAD	H4	119.4°	120.0°
CAE	CAF	CAG	114.3°	109.5°
CAE	CAF	H8	108.3°	109.4°
CAE	CAF	H9	108.2°	109.5°
CAF	CAG	CAH	111.0°	109.5°
CAG	CAF	H8	108.2°	109.5°
CAG	CAF	H9	108.3°	109.5°
CAF	CAG	H10	109.1°	109.5°
CAF	CAG	H11	109.1°	109.5°
CAG	CAH	CAN	127.4°	120.0°
CAG	CAH	CAI	118.8°	120.0°
CAH	CAG	H10	109.1°	109.5°
CAH	CAG	H11	109.1°	109.5°
OAR	CAN	CAH	119.2°	120.1°
OAR	CAN	CAO	115.9°	120.0°
CAN	OAR	H16	109.5°	114.0°
CAN	CAH	CAI	113.7°	120.0°
CAH	CAN	CAO	124.9°	119.9°
CAH	CAI	CAJ	122.6°	120.0°
CAH	CAI	H12	118.7°	120.0°
CAN	CAO	CAP	119.4°	119.9°
CAN	CAO	H15	120.3°	120.1°
CAI	CAJ	CAP	121.7°	120.1°
CAJ	CAI	H12	118.7°	120.0°
CAI	CAJ	H13	119.2°	119.9°
CAO	CAP	CAJ	117.7°	120.0°
CAO	CAP	H14	121.1°	120.0°
CAP	CAO	H15	120.3°	120.0°
CAP	CAJ	H13	119.2°	119.9°
CAJ	CAP	H14	121.2°	120.0°
H1	CAA	H2	109.5°	109.4°
H1	CAA	H3	109.5°	109.5°
H2	CAA	H3	109.5°	109.4°
H8	CAF	H9	109.4°	109.4°
H10	CAG	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAQ	CAL	CAK	CAM	179.2°	180.0°
OAQ	CAL	CAK	CAC	179.6°	179.9°
OAQ	CAL	CAM	CAE	179.2°	179.8°
OAQ	CAL	CAK	H5	0.4°	0.0°
OAQ	CAL	CAM	H7	0.8°	0.0°
CAL	CAK	CAC	H5	180.0°	179.9°
CAK	CAL	CAM	CAE	0.1°	0.2°
CAL	CAK	CAC	OAB	180.0°	180.0°
CAL	CAK	CAC	CAD	0.9°	0.4°
CAK	CAL	OAQ	H6	180.0°	90.0°
CAK	CAL	CAM	H7	179.8°	180.0°
CAM	CAL	CAK	CAC	0.4°	0.1°
CAL	CAM	CAE	H7	180.0°	179.8°
CAL	CAM	CAE	CAD	0.3°	0.2°
CAL	CAM	CAE	CAF	179.1°	179.8°
CAM	CAL	CAK	H5	179.6°	180.0°
CAM	CAL	OAQ	H6	0.9°	90.0°
CAK	CAC	OAB	CAA	51.0°	0.3°
CAK	CAC	OAB	CAD	179.1°	179.7°
CAK	CAC	CAD	CAE	1.1°	0.4°
CAK	CAC	CAD	H4	178.9°	179.7°
CAA	OAB	CAC	CAD	129.9°	180.0°
OAB	CAA	H1	H2	120.0°	120.0°
OAB	CAA	H1	H3	120.0°	120.0°
OAB	CAA	H2	H3	120.0°	120.0°
CAM	CAE	CAD	CAC	0.8°	0.1°
CAM	CAE	CAD	CAF	179.5°	180.0°
CAM	CAE	CAF	CAG	12.9°	90.0°
CAM	CAE	CAD	H4	179.2°	180.0°
CAM	CAE	CAF	H8	107.8°	30.1°
CAM	CAE	CAF	H9	133.6°	149.9°
OAB	CAC	CAD	CAE	179.8°	180.0°
CAC	OAB	CAA	H1	180.0°	60.0°
CAC	OAB	CAA	H2	60.0°	180.0°
CAC	OAB	CAA	H3	60.0°	60.0°
OAB	CAC	CAD	H4	0.2°	0.1°
OAB	CAC	CAK	H5	0.0°	0.0°
CAC	CAD	CAE	H4	180.0°	179.9°
CAC	CAD	CAE	CAF	178.7°	180.0°
CAD	CAC	CAK	H5	179.1°	179.7°
CAD	CAE	CAF	CAG	166.5°	90.0°
CAD	CAE	CAM	H7	179.7°	180.0°
CAD	CAE	CAF	H8	72.7°	150.0°
CAD	CAE	CAF	H9	45.8°	30.1°
CAE	CAF	CAG	H8	120.7°	120.0°
CAE	CAF	CAG	H9	120.7°	120.0°
CAE	CAF	CAG	CAH	159.5°	180.0°
CAF	CAE	CAD	H4	1.3°	0.0°
CAF	CAE	CAM	H7	0.9°	0.0°
CAE	CAF	H8	H9	117.8°	119.9°
CAE	CAF	CAG	H10	39.2°	60.0°
CAE	CAF	CAG	H11	80.3°	60.0°
CAF	CAG	CAH	H10	120.2°	120.0°
CAF	CAG	CAH	H11	120.2°	120.0°
CAF	CAG	CAH	CAN	112.6°	85.0°
CAF	CAG	CAH	CAI	68.4°	94.7°
CAG	CAF	H8	H9	117.8°	120.0°
CAF	CAG	H10	H11	119.3°	120.0°
CAG	CAH	CAN	OAR	1.7°	0.0°
CAG	CAH	CAN	CAI	179.1°	179.7°
CAG	CAH	CAN	CAO	179.8°	179.7°
CAG	CAH	CAI	CAJ	179.5°	180.0°
CAH	CAG	CAF	H8	79.8°	60.0°
CAH	CAG	CAF	H9	38.7°	60.0°
CAH	CAG	H10	H11	119.3°	120.0°
CAG	CAH	CAI	H12	0.5°	0.0°
OAR	CAN	CAH	CAO	178.2°	179.7°
OAR	CAN	CAH	CAI	179.3°	179.7°
OAR	CAN	CAO	CAP	178.3°	179.8°
OAR	CAN	CAO	H15	1.6°	0.0°
CAN	CAH	CAI	CAJ	1.4°	0.3°
CAH	CAN	CAO	CAP	0.1°	0.5°
CAN	CAH	CAG	H10	7.6°	35.0°
CAN	CAH	CAG	H11	127.2°	155.0°
CAN	CAH	CAI	H12	178.6°	179.7°
CAH	CAN	CAO	H15	179.9°	179.7°
CAH	CAN	OAR	H16	180.0°	90.0°
CAI	CAH	CAN	CAO	1.1°	0.6°
CAH	CAI	CAJ	H12	180.0°	180.0°
CAH	CAI	CAJ	CAP	0.7°	0.0°
CAI	CAH	CAG	H10	171.4°	145.3°
CAI	CAH	CAG	H11	51.8°	25.2°
CAH	CAI	CAJ	H13	179.3°	179.9°
CAN	CAO	CAP	H15	180.0°	179.8°
CAN	CAO	CAP	CAJ	0.6°	0.2°
CAN	CAO	CAP	H14	179.4°	179.7°
CAO	CAN	OAR	H16	1.6°	89.7°
CAI	CAJ	CAP	CAO	0.3°	0.1°
CAI	CAJ	CAP	H13	180.0°	179.9°
CAI	CAJ	CAP	H14	179.7°	180.0°
CAO	CAP	CAJ	H14	180.0°	179.9°
CAO	CAP	CAJ	H13	179.7°	180.0°
CAP	CAJ	CAI	H12	179.3°	180.0°
CAJ	CAP	CAO	H15	179.4°	180.0°
H1	CAA	H2	H3	120.0°	120.0°
H8	CAF	CAG	H10	160.0°	180.0°
H8	CAF	CAG	H11	40.4°	60.0°
H9	CAF	CAG	H10	81.5°	60.0°
H9	CAF	CAG	H11	159.0°	179.9°
H12	CAI	CAJ	H13	0.7°	0.1°
H13	CAJ	CAP	H14	0.3°	0.1°
H14	CAP	CAO	H15	0.6°	0.1°

Release date:	2017-03-29
Definition date:	2017-02-09
Last modified:	2017-03-24
Release status:	REL
Processing site:	EBI
Derived from:	5N3W