A1H0U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAN	CAL	sing	1.53Å	1.52Å
NAR	CAL	sing	1.47Å	1.51Å
NAR	CAJ	doub	1.31Å	1.43Å
CAL	NAF	sing	1.47Å	1.52Å
CAL	CAM	sing	1.53Å	1.55Å
NAF	CAD	sing	1.39Å	1.35Å
NAF	CAG	sing	1.37Å	1.36Å
CAQ	CAD	doub	1.39Å	1.34Å	Aromatic
CAQ	CAC	sing	1.38Å	1.41Å	Aromatic
CAJ	NAK	sing	1.38Å	1.32Å
CAJ	NAI	sing	1.34Å	1.38Å
CAD	CAE	sing	1.40Å	1.36Å	Aromatic
OAO	CAC	sing	1.36Å	1.37Å
OAO	CAP	sing	1.43Å	1.45Å
CAC	CAB	doub	1.39Å	1.40Å	Aromatic
CAG	NAI	doub	1.32Å	1.35Å
CAG	NAH	sing	1.37Å	1.33Å
CAE	NAH	sing	1.39Å	1.34Å
CAE	CAA	doub	1.39Å	1.34Å	Aromatic
CAB	CAA	sing	1.38Å	1.40Å	Aromatic
CAP	H1	sing	1.09Å	1.10Å
CAP	H2	sing	1.09Å	1.10Å
CAP	H3	sing	1.09Å	1.10Å
CAQ	H4	sing	1.08Å	1.08Å
CAM	H5	sing	1.09Å	1.10Å
CAM	H6	sing	1.09Å	1.10Å
CAM	H7	sing	1.09Å	1.10Å
CAN	H8	sing	1.09Å	1.10Å
CAN	H9	sing	1.09Å	1.10Å
CAN	H10	sing	1.09Å	1.10Å
NAK	H12	sing	0.97Å	1.00Å
NAK	H13	sing	0.97Å	1.00Å
NAH	H15	sing	0.97Å	1.00Å
CAA	H16	sing	1.08Å	1.08Å
CAB	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAN	CAL	NAR	111.5°	108.0°
CAN	CAL	NAF	110.8°	108.1°
CAN	CAL	CAM	104.4°	107.9°
CAL	CAN	H8	109.5°	109.4°
CAL	CAN	H9	109.5°	109.5°
CAL	CAN	H10	109.5°	109.4°
CAL	NAR	CAJ	123.1°	118.2°
NAR	CAL	NAF	107.9°	116.6°
NAR	CAL	CAM	106.4°	108.0°
NAR	CAJ	NAK	124.7°	118.7°
NAR	CAJ	NAI	120.0°	122.6°
NAF	CAL	CAM	115.7°	108.0°
CAL	NAF	CAD	127.1°	132.9°
CAL	NAF	CAG	123.5°	118.3°
CAL	CAM	H5	109.5°	109.5°
CAL	CAM	H6	109.5°	109.5°
CAL	CAM	H7	109.4°	109.5°
CAD	NAF	CAG	105.0°	108.8°
NAF	CAD	CAQ	131.7°	133.1°
NAF	CAD	CAE	108.7°	107.1°
NAF	CAG	NAI	122.7°	120.3°
NAF	CAG	NAH	109.1°	108.5°
CAD	CAQ	CAC	120.3°	119.9°
CAQ	CAD	CAE	119.4°	119.8°
CAD	CAQ	H4	119.9°	120.0°
CAQ	CAC	OAO	120.3°	120.0°
CAQ	CAC	CAB	119.3°	120.2°
CAC	CAQ	H4	119.8°	120.1°
NAK	CAJ	NAI	115.3°	118.7°
CAJ	NAK	H12	120.0°	120.0°
CAJ	NAK	H13	120.0°	120.0°
CAJ	NAI	CAG	120.4°	124.0°
CAD	CAE	NAH	107.1°	107.2°
CAD	CAE	CAA	123.2°	119.9°
CAC	OAO	CAP	108.4°	117.0°
OAO	CAC	CAB	120.4°	119.9°
OAO	CAP	H1	109.5°	109.4°
OAO	CAP	H2	109.5°	109.4°
OAO	CAP	H3	109.5°	109.5°
CAC	CAB	CAA	118.2°	120.2°
CAC	CAB	H17	120.9°	120.0°
NAI	CAG	NAH	127.5°	131.3°
CAG	NAH	CAE	107.8°	108.4°
CAG	NAH	H15	126.1°	125.7°
NAH	CAE	CAA	129.5°	132.9°
CAE	NAH	H15	126.1°	125.8°
CAE	CAA	CAB	119.4°	120.0°
CAE	CAA	H16	120.3°	120.0°
CAB	CAA	H16	120.3°	120.0°
CAA	CAB	H17	120.9°	119.9°
H1	CAP	H2	109.5°	109.5°
H1	CAP	H3	109.4°	109.5°
H2	CAP	H3	109.5°	109.5°
H5	CAM	H6	109.5°	109.4°
H5	CAM	H7	109.5°	109.5°
H6	CAM	H7	109.5°	109.5°
H8	CAN	H9	109.4°	109.5°
H8	CAN	H10	109.5°	109.5°
H9	CAN	H10	109.5°	109.5°
H12	NAK	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAN	CAL	NAR	NAF	122.0°	121.8°
CAN	CAL	NAR	CAM	113.3°	116.4°
CAN	CAL	NAR	CAJ	135.0°	121.8°
CAN	CAL	NAF	CAM	118.6°	116.5°
CAN	CAL	NAF	CAD	66.8°	58.2°
CAN	CAL	NAF	CAG	140.2°	121.7°
CAN	CAL	CAM	H5	180.0°	56.5°
CAN	CAL	CAM	H6	60.0°	63.4°
CAN	CAL	CAM	H7	60.0°	176.6°
CAL	CAN	H8	H9	120.0°	120.0°
CAL	CAN	H8	H10	120.0°	120.0°
CAL	CAN	H9	H10	120.0°	120.0°
NAR	CAL	NAF	CAM	119.0°	121.8°
NAR	CAL	NAF	CAD	170.8°	179.9°
NAR	CAL	NAF	CAG	17.8°	0.0°
CAL	NAR	CAJ	NAK	175.8°	180.0°
CAL	NAR	CAJ	NAI	5.6°	0.0°
NAR	CAL	CAM	H5	61.9°	173.0°
NAR	CAL	CAM	H6	178.1°	53.1°
NAR	CAL	CAM	H7	58.1°	67.0°
NAR	CAL	CAN	H8	180.0°	67.0°
NAR	CAL	CAN	H9	60.0°	53.1°
NAR	CAL	CAN	H10	60.0°	173.1°
CAJ	NAR	CAL	NAF	13.0°	0.0°
CAJ	NAR	CAL	CAM	111.7°	121.8°
NAR	CAJ	NAK	NAI	178.6°	180.0°
NAR	CAJ	NAI	CAG	0.4°	0.1°
NAR	CAJ	NAK	H12	0.0°	0.1°
NAR	CAJ	NAK	H13	180.0°	180.0°
CAL	NAF	CAD	CAG	156.9°	179.9°
CAL	NAF	CAD	CAQ	15.4°	0.1°
CAL	NAF	CAD	CAE	168.9°	179.9°
CAL	NAF	CAG	NAI	15.3°	0.0°
CAL	NAF	CAG	NAH	173.6°	180.0°
NAF	CAL	CAM	H5	57.9°	60.1°
NAF	CAL	CAM	H6	62.1°	180.0°
NAF	CAL	CAM	H7	177.9°	60.0°
NAF	CAL	CAN	H8	59.7°	60.0°
NAF	CAL	CAN	H9	60.3°	180.0°
NAF	CAL	CAN	H10	179.7°	60.0°
CAM	CAL	NAF	CAD	51.8°	58.3°
CAM	CAL	NAF	CAG	101.2°	121.8°
CAL	CAM	H5	H6	120.0°	120.0°
CAL	CAM	H5	H7	120.0°	120.1°
CAL	CAM	H6	H7	120.0°	120.1°
CAM	CAL	CAN	H8	65.5°	176.5°
CAM	CAL	CAN	H9	174.5°	63.4°
CAM	CAL	CAN	H10	54.5°	56.6°
NAF	CAD	CAQ	CAE	175.3°	179.9°
NAF	CAD	CAQ	CAC	177.5°	180.0°
CAD	NAF	CAG	NAI	173.3°	180.0°
CAD	NAF	CAG	NAH	15.6°	0.1°
NAF	CAD	CAE	NAH	4.3°	0.0°
NAF	CAD	CAE	CAA	179.9°	180.0°
NAF	CAD	CAQ	H4	2.4°	0.1°
CAG	NAF	CAD	CAQ	172.3°	180.0°
NAF	CAG	NAI	CAJ	5.2°	0.0°
CAG	NAF	CAD	CAE	12.0°	0.0°
NAF	CAG	NAI	NAH	169.3°	180.0°
NAF	CAG	NAH	CAE	13.3°	0.1°
NAF	CAG	NAH	H15	166.7°	180.0°
CAD	CAQ	CAC	H4	180.0°	180.0°
CAD	CAQ	CAC	OAO	178.1°	180.0°
CAD	CAQ	CAC	CAB	0.6°	0.2°
CAQ	CAD	CAE	NAH	179.4°	180.0°
CAQ	CAD	CAE	CAA	3.6°	0.0°
CAC	CAQ	CAD	CAE	2.3°	0.0°
CAQ	CAC	OAO	CAB	178.7°	179.8°
CAQ	CAC	OAO	CAP	81.4°	179.7°
CAQ	CAC	CAB	CAA	0.0°	0.5°
CAQ	CAC	CAB	H17	180.0°	179.8°
NAK	CAJ	NAI	CAG	179.1°	179.9°
CAJ	NAK	H12	H13	180.0°	179.9°
CAJ	NAI	CAG	NAH	174.6°	180.0°
NAI	CAJ	NAK	H12	178.6°	179.9°
NAI	CAJ	NAK	H13	1.4°	0.0°
CAD	CAE	NAH	CAG	5.6°	0.0°
CAD	CAE	NAH	CAA	175.5°	179.9°
CAD	CAE	CAA	CAB	3.0°	0.3°
CAE	CAD	CAQ	H4	177.7°	180.0°
CAD	CAE	NAH	H15	174.5°	180.0°
CAD	CAE	CAA	H16	176.9°	180.0°
OAO	CAC	CAB	CAA	178.7°	179.8°
CAC	OAO	CAP	H1	180.0°	180.0°
CAC	OAO	CAP	H2	60.0°	60.0°
CAC	OAO	CAP	H3	60.0°	60.0°
OAO	CAC	CAQ	H4	1.9°	0.0°
OAO	CAC	CAB	H17	1.3°	0.0°
CAP	OAO	CAC	CAB	97.3°	0.0°
OAO	CAP	H1	H2	120.0°	119.9°
OAO	CAP	H1	H3	120.0°	120.0°
OAO	CAP	H2	H3	120.0°	119.9°
CAC	CAB	CAA	CAE	1.2°	0.5°
CAC	CAB	CAA	H17	180.0°	179.8°
CAB	CAC	CAQ	H4	179.4°	179.8°
CAC	CAB	CAA	H16	178.8°	179.8°
NAI	CAG	NAH	CAE	176.2°	180.0°
NAI	CAG	NAH	H15	3.8°	0.0°
CAG	NAH	CAE	H15	180.0°	180.0°
CAG	NAH	CAE	CAA	169.9°	180.0°
NAH	CAE	CAA	CAB	177.9°	179.8°
NAH	CAE	CAA	H16	2.1°	0.1°
CAE	CAA	CAB	H16	180.0°	179.7°
CAA	CAE	NAH	H15	10.0°	0.1°
CAE	CAA	CAB	H17	178.8°	179.7°
H1	CAP	H2	H3	120.0°	120.1°
H5	CAM	H6	H7	120.0°	120.0°
H8	CAN	H9	H10	120.0°	120.0°
H16	CAA	CAB	H17	1.2°	0.0°

Release date:	2024-11-20
Definition date:	2023-12-18
Last modified:	2024-11-15
Release status:	REL
Processing site:	PDBE
Derived from:	8RHV