Y8X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAC	CAD	doub	1.38Å	1.39Å	Aromatic
CAC	CAB	sing	1.38Å	1.40Å	Aromatic
CAD	CAE	sing	1.38Å	1.40Å	Aromatic
CAB	CAA	doub	1.38Å	1.39Å	Aromatic
CAE	NAH	sing	1.39Å	1.40Å
CAE	CAF	doub	1.41Å	1.40Å	Aromatic
NAH	CAI	sing	1.47Å	1.49Å
CAA	CAF	sing	1.39Å	1.41Å	Aromatic
CAA	CLAS	sing	1.74Å	1.74Å
CAF	CAG	sing	1.47Å	1.41Å
CAI	CAK	sing	1.51Å	1.41Å
CAI	NAJ	sing	1.46Å	1.47Å
CAM	CAK	doub	1.38Å	1.39Å	Aromatic
CAM	CAN	sing	1.38Å	1.39Å	Aromatic
CAK	CAL	sing	1.38Å	1.39Å	Aromatic
CAN	CAO	doub	1.38Å	1.39Å	Aromatic
CAL	CAP	doub	1.38Å	1.39Å	Aromatic
CAO	CAP	sing	1.38Å	1.39Å	Aromatic
CAP	CAR	sing	1.51Å	1.38Å
CAG	NAJ	sing	1.35Å	1.40Å
CAG	OAQ	doub	1.22Å	1.24Å
CAO	H1	sing	1.08Å	1.08Å
CAL	H2	sing	1.08Å	1.08Å
CAR	H3	sing	1.09Å	1.10Å
CAR	H4	sing	1.09Å	1.10Å
CAR	H5	sing	1.09Å	1.10Å
CAI	H6	sing	1.09Å	1.10Å
CAB	H7	sing	1.08Å	1.08Å
CAC	H8	sing	1.08Å	1.08Å
CAD	H9	sing	1.08Å	1.08Å
CAM	H10	sing	1.08Å	1.08Å
CAN	H11	sing	1.08Å	1.08Å
NAH	H12	sing	0.97Å	1.00Å
NAJ	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAD	CAC	CAB	119.6°	120.6°
CAC	CAD	CAE	120.5°	119.7°
CAD	CAC	H8	120.2°	119.7°
CAC	CAD	H9	119.7°	120.2°
CAC	CAB	CAA	119.8°	120.5°
CAC	CAB	H7	120.1°	119.8°
CAB	CAC	H8	120.2°	119.7°
CAD	CAE	NAH	120.2°	122.0°
CAD	CAE	CAF	120.7°	120.0°
CAE	CAD	H9	119.7°	120.1°
CAB	CAA	CAF	121.1°	119.5°
CAB	CAA	CLAS	116.7°	120.2°
CAA	CAB	H7	120.1°	119.8°
NAH	CAE	CAF	119.1°	118.0°
CAE	NAH	CAI	114.8°	118.4°
CAE	NAH	H12	108.1°	120.7°
CAE	CAF	CAA	118.3°	119.8°
CAE	CAF	CAG	117.8°	118.5°
NAH	CAI	CAK	111.5°	109.7°
NAH	CAI	NAJ	108.1°	110.1°
NAH	CAI	H6	107.6°	108.9°
CAI	NAH	H12	108.1°	120.9°
CAF	CAA	CLAS	122.1°	120.3°
CAA	CAF	CAG	123.8°	121.8°
CAF	CAG	NAJ	120.0°	119.3°
CAF	CAG	OAQ	121.7°	120.4°
CAK	CAI	NAJ	112.9°	109.3°
CAI	CAK	CAM	118.8°	120.0°
CAI	CAK	CAL	121.4°	120.0°
CAK	CAI	H6	108.7°	109.4°
CAI	NAJ	CAG	118.6°	121.2°
NAJ	CAI	H6	107.9°	109.3°
CAI	NAJ	H13	120.7°	119.4°
CAK	CAM	CAN	120.5°	120.1°
CAM	CAK	CAL	119.7°	120.0°
CAK	CAM	H10	119.8°	120.0°
CAM	CAN	CAO	119.5°	120.0°
CAN	CAM	H10	119.7°	119.9°
CAM	CAN	H11	120.3°	120.0°
CAK	CAL	CAP	119.6°	120.0°
CAK	CAL	H2	120.2°	120.0°
CAN	CAO	CAP	120.1°	120.0°
CAN	CAO	H1	120.0°	120.0°
CAO	CAN	H11	120.3°	120.0°
CAL	CAP	CAO	120.6°	120.0°
CAL	CAP	CAR	120.0°	120.0°
CAP	CAL	H2	120.2°	120.0°
CAO	CAP	CAR	119.4°	120.0°
CAP	CAO	H1	120.0°	120.0°
CAP	CAR	H3	109.5°	109.5°
CAP	CAR	H4	109.5°	109.5°
CAP	CAR	H5	109.5°	109.4°
NAJ	CAG	OAQ	117.9°	120.3°
CAG	NAJ	H13	120.7°	119.4°
H3	CAR	H4	109.5°	109.5°
H3	CAR	H5	109.5°	109.4°
H4	CAR	H5	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAD	CAC	CAB	H8	180.0°	180.0°
CAC	CAD	CAE	H9	180.0°	180.0°
CAD	CAC	CAB	CAA	0.0°	0.1°
CAC	CAD	CAE	NAH	179.3°	179.7°
CAC	CAD	CAE	CAF	0.2°	0.2°
CAD	CAC	CAB	H7	180.0°	179.9°
CAB	CAC	CAD	CAE	0.1°	0.0°
CAC	CAB	CAA	H7	180.0°	180.0°
CAC	CAB	CAA	CAF	0.5°	0.0°
CAC	CAB	CAA	CLAS	178.8°	180.0°
CAB	CAC	CAD	H9	179.9°	180.0°
CAD	CAE	NAH	CAF	179.1°	179.9°
CAD	CAE	NAH	CAI	144.5°	150.1°
CAD	CAE	CAF	CAA	0.7°	0.3°
CAD	CAE	CAF	CAG	177.8°	179.5°
CAE	CAD	CAC	H8	179.9°	180.0°
CAD	CAE	NAH	H12	94.7°	29.7°
CAB	CAA	CAF	CAE	0.8°	0.2°
CAB	CAA	CAF	CLAS	178.2°	180.0°
CAB	CAA	CAF	CAG	177.7°	179.6°
CAA	CAB	CAC	H8	180.0°	179.9°
CAE	NAH	CAI	H12	120.8°	179.8°
NAH	CAE	CAF	CAA	179.7°	179.6°
NAH	CAE	CAF	CAG	3.1°	0.5°
CAE	NAH	CAI	CAK	177.2°	75.7°
CAE	NAH	CAI	NAJ	52.5°	44.7°
CAE	NAH	CAI	H6	63.7°	164.6°
NAH	CAE	CAD	H9	0.7°	0.3°
CAF	CAE	NAH	CAI	34.5°	29.8°
CAE	CAF	CAA	CAG	177.0°	179.8°
CAE	CAF	CAA	CLAS	179.0°	179.7°
CAE	CAF	CAG	NAJ	20.3°	13.8°
CAE	CAF	CAG	OAQ	152.3°	166.0°
CAF	CAE	CAD	H9	179.8°	179.8°
CAF	CAE	NAH	H12	86.3°	150.4°
NAH	CAI	CAK	NAJ	121.9°	120.9°
NAH	CAI	CAK	H6	118.4°	119.4°
NAH	CAI	NAJ	H6	116.1°	119.7°
NAH	CAI	CAK	CAM	128.7°	29.6°
NAH	CAI	CAK	CAL	50.3°	150.9°
NAH	CAI	NAJ	CAG	36.2°	31.4°
NAH	CAI	NAJ	H13	143.8°	148.7°
CAA	CAF	CAG	NAJ	162.7°	166.4°
CAA	CAF	CAG	OAQ	24.6°	13.9°
CAF	CAA	CAB	H7	179.5°	180.0°
CLAS	CAA	CAF	CAG	4.1°	0.4°
CLAS	CAA	CAB	H7	1.2°	0.0°
CAF	CAG	NAJ	CAI	1.6°	4.0°
CAF	CAG	NAJ	OAQ	172.9°	179.7°
CAF	CAG	NAJ	H13	178.4°	176.1°
CAK	CAI	NAJ	H6	120.1°	119.7°
CAI	CAK	CAM	CAL	179.0°	179.5°
CAI	CAK	CAM	CAN	179.6°	179.7°
CAI	CAK	CAL	CAP	179.5°	179.9°
CAK	CAI	NAJ	CAG	160.0°	89.3°
CAI	CAK	CAL	H2	0.4°	0.1°
CAI	CAK	CAM	H10	0.4°	0.1°
CAK	CAI	NAH	H12	56.4°	104.1°
CAK	CAI	NAJ	H13	20.0°	90.7°
NAJ	CAI	CAK	CAM	109.4°	150.5°
NAJ	CAI	CAK	CAL	71.6°	30.0°
CAI	NAJ	CAG	H13	180.0°	180.0°
CAI	NAJ	CAG	OAQ	174.6°	176.3°
NAJ	CAI	NAH	H12	68.3°	135.5°
CAK	CAM	CAN	H10	180.0°	179.8°
CAK	CAM	CAN	CAO	0.3°	0.5°
CAM	CAK	CAL	CAP	0.5°	0.6°
CAM	CAK	CAL	H2	179.4°	179.6°
CAM	CAK	CAI	H6	10.3°	89.8°
CAK	CAM	CAN	H11	179.7°	179.5°
CAN	CAM	CAK	CAL	0.5°	0.8°
CAM	CAN	CAO	H11	180.0°	180.0°
CAM	CAN	CAO	CAP	0.0°	0.0°
CAM	CAN	CAO	H1	180.0°	179.7°
CAK	CAL	CAP	H2	180.0°	179.8°
CAK	CAL	CAP	CAO	0.3°	0.1°
CAK	CAL	CAP	CAR	180.0°	180.0°
CAL	CAK	CAI	H6	168.7°	89.6°
CAL	CAK	CAM	H10	179.5°	179.4°
CAN	CAO	CAP	CAL	0.0°	0.2°
CAN	CAO	CAP	H1	180.0°	179.7°
CAN	CAO	CAP	CAR	179.8°	179.7°
CAO	CAN	CAM	H10	179.7°	179.7°
CAL	CAP	CAO	CAR	179.7°	179.9°
CAL	CAP	CAO	H1	180.0°	179.9°
CAL	CAP	CAR	H3	89.9°	90.0°
CAL	CAP	CAR	H4	150.1°	30.0°
CAL	CAP	CAR	H5	30.2°	150.1°
CAO	CAP	CAL	H2	179.7°	179.9°
CAO	CAP	CAR	H3	89.9°	89.9°
CAO	CAP	CAR	H4	30.1°	150.0°
CAO	CAP	CAR	H5	150.1°	30.0°
CAP	CAO	CAN	H11	180.0°	180.0°
CAR	CAP	CAO	H1	0.2°	0.0°
CAR	CAP	CAL	H2	0.0°	0.1°
CAP	CAR	H3	H4	120.0°	120.1°
CAP	CAR	H3	H5	120.0°	119.9°
CAP	CAR	H4	H5	120.0°	120.0°
CAG	NAJ	CAI	H6	79.9°	151.0°
OAQ	CAG	NAJ	H13	5.5°	3.7°
H1	CAO	CAN	H11	0.0°	0.3°
H3	CAR	H4	H5	120.0°	120.0°
H6	CAI	NAH	H12	175.5°	15.6°
H6	CAI	NAJ	H13	100.1°	29.0°
H7	CAB	CAC	H8	0.0°	0.1°
H8	CAC	CAD	H9	0.1°	0.0°
H10	CAM	CAN	H11	0.3°	0.3°

Release date:	2024-01-24
Definition date:	2023-01-12
Last modified:	2024-01-19
Release status:	REL
Processing site:	RCSB
Derived from:	8FTA