4XD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAD	CAC	doub	1.38Å	1.39Å	Aromatic
CAD	CAL	sing	1.39Å	1.40Å	Aromatic
CAC	CAE	sing	1.38Å	1.38Å	Aromatic
NAB	CAL	sing	1.40Å	1.38Å
CAL	CAN	doub	1.39Å	1.41Å	Aromatic
CAE	CAM	doub	1.39Å	1.41Å	Aromatic
CAN	CAM	sing	1.38Å	1.41Å	Aromatic
CAN	CAJ	sing	1.51Å	1.42Å
CAM	CAG	sing	1.51Å	1.42Å
CAJ	NAO	sing	1.47Å	1.49Å
CAG	CAI	sing	1.53Å	1.53Å
CAI	NAO	sing	1.47Å	1.48Å
OAK	CAA	sing	1.43Å	1.43Å
OAK	CAF	sing	1.43Å	1.43Å
NAO	CAH	sing	1.47Å	1.48Å
CAH	CAF	sing	1.53Å	1.52Å
CAI	H1	sing	1.09Å	1.10Å
CAI	H2	sing	1.09Å	1.10Å
CAG	H3	sing	1.09Å	1.10Å
CAG	H4	sing	1.09Å	1.10Å
CAE	H5	sing	1.08Å	1.08Å
CAC	H6	sing	1.08Å	1.08Å
CAD	H7	sing	1.08Å	1.08Å
NAB	H8	sing	0.97Å	1.00Å
NAB	H9	sing	0.97Å	1.00Å
CAJ	H10	sing	1.09Å	1.10Å
CAJ	H11	sing	1.09Å	1.10Å
CAH	H13	sing	1.09Å	1.10Å
CAH	H14	sing	1.09Å	1.10Å
CAF	H15	sing	1.09Å	1.10Å
CAF	H16	sing	1.09Å	1.10Å
CAA	H17	sing	1.09Å	1.10Å
CAA	H18	sing	1.09Å	1.10Å
CAA	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CAD	CAL	118.9°	119.8°
CAD	CAC	CAE	121.3°	119.9°
CAD	CAC	H6	119.4°	120.0°
CAC	CAD	H7	120.6°	120.1°
CAD	CAL	NAB	119.1°	119.9°
CAD	CAL	CAN	120.8°	120.2°
CAL	CAD	H7	120.5°	120.1°
CAC	CAE	CAM	120.3°	120.5°
CAC	CAE	H5	119.9°	119.7°
CAE	CAC	H6	119.3°	120.1°
NAB	CAL	CAN	120.1°	119.9°
CAL	NAB	H8	109.5°	120.0°
CAL	NAB	H9	109.5°	120.0°
CAL	CAN	CAM	119.3°	119.6°
CAL	CAN	CAJ	119.1°	118.5°
CAE	CAM	CAN	119.4°	119.9°
CAE	CAM	CAG	118.4°	118.5°
CAM	CAE	H5	119.8°	119.8°
CAM	CAN	CAJ	121.6°	121.9°
CAN	CAM	CAG	122.2°	121.6°
CAN	CAJ	NAO	116.0°	110.5°
CAN	CAJ	H10	107.8°	109.3°
CAN	CAJ	H11	107.8°	109.3°
CAM	CAG	CAI	113.6°	110.0°
CAM	CAG	H3	108.4°	109.4°
CAM	CAG	H4	108.4°	109.3°
CAJ	NAO	CAI	110.9°	110.2°
CAJ	NAO	CAH	115.1°	111.0°
NAO	CAJ	H10	107.8°	109.2°
NAO	CAJ	H11	107.8°	109.3°
CAG	CAI	NAO	112.4°	108.5°
CAG	CAI	H1	108.7°	109.6°
CAG	CAI	H2	108.7°	109.8°
CAI	CAG	H3	108.4°	109.4°
CAI	CAG	H4	108.4°	109.4°
CAI	NAO	CAH	110.0°	111.0°
NAO	CAI	H1	108.8°	109.7°
NAO	CAI	H2	108.8°	109.6°
CAA	OAK	CAF	113.0°	114.0°
OAK	CAA	H17	109.5°	109.5°
OAK	CAA	H18	109.5°	109.4°
OAK	CAA	H19	109.4°	109.5°
OAK	CAF	CAH	106.4°	109.4°
OAK	CAF	H15	110.2°	109.5°
OAK	CAF	H16	110.2°	109.5°
NAO	CAH	CAF	114.1°	109.5°
NAO	CAH	H13	108.3°	109.5°
NAO	CAH	H14	108.3°	109.5°
CAF	CAH	H13	108.3°	109.5°
CAF	CAH	H14	108.3°	109.4°
CAH	CAF	H15	110.3°	109.5°
CAH	CAF	H16	110.3°	109.5°
H1	CAI	H2	109.4°	109.7°
H3	CAG	H4	109.4°	109.4°
H8	NAB	H9	109.4°	120.0°
H10	CAJ	H11	109.5°	109.2°
H13	CAH	H14	109.4°	109.4°
H15	CAF	H16	109.4°	109.5°
H17	CAA	H18	109.4°	109.5°
H17	CAA	H19	109.5°	109.5°
H18	CAA	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CAD	CAL	H7	180.0°	179.9°
CAD	CAC	CAE	H6	180.0°	179.9°
CAC	CAD	CAL	NAB	180.0°	179.9°
CAC	CAD	CAL	CAN	1.6°	0.1°
CAD	CAC	CAE	CAM	0.0°	0.1°
CAD	CAC	CAE	H5	180.0°	180.0°
CAL	CAD	CAC	CAE	0.8°	0.0°
CAD	CAL	NAB	CAN	178.4°	179.9°
CAD	CAL	CAN	CAM	1.6°	0.3°
CAD	CAL	CAN	CAJ	179.4°	179.5°
CAL	CAD	CAC	H6	179.2°	179.9°
CAD	CAL	NAB	H8	180.0°	0.0°
CAD	CAL	NAB	H9	60.0°	179.9°
CAC	CAE	CAM	H5	180.0°	179.9°
CAC	CAE	CAM	CAN	0.1°	0.3°
CAC	CAE	CAM	CAG	179.6°	179.8°
CAE	CAC	CAD	H7	179.2°	179.9°
NAB	CAL	CAN	CAM	179.9°	179.8°
NAB	CAL	CAN	CAJ	1.1°	0.5°
NAB	CAL	CAD	H7	0.0°	0.1°
CAL	NAB	H8	H9	120.0°	179.9°
CAL	CAN	CAM	CAE	0.7°	0.4°
CAL	CAN	CAM	CAJ	179.0°	179.8°
CAL	CAN	CAM	CAG	179.6°	179.7°
CAL	CAN	CAJ	NAO	167.0°	162.6°
CAN	CAL	CAD	H7	178.3°	180.0°
CAN	CAL	NAB	H8	1.6°	179.9°
CAN	CAL	NAB	H9	118.4°	0.0°
CAL	CAN	CAJ	H10	46.1°	42.4°
CAL	CAN	CAJ	H11	72.0°	77.0°
CAE	CAM	CAN	CAG	179.7°	180.0°
CAE	CAM	CAN	CAJ	179.7°	179.4°
CAE	CAM	CAG	CAI	165.2°	163.0°
CAE	CAM	CAG	H3	44.6°	76.9°
CAE	CAM	CAG	H4	74.2°	42.9°
CAM	CAE	CAC	H6	180.0°	180.0°
CAM	CAN	CAJ	NAO	14.0°	17.6°
CAN	CAM	CAG	CAI	15.1°	17.0°
CAN	CAM	CAG	H3	135.7°	103.2°
CAN	CAM	CAG	H4	105.6°	137.1°
CAN	CAM	CAE	H5	179.9°	179.9°
CAM	CAN	CAJ	H10	134.9°	137.8°
CAM	CAN	CAJ	H11	107.0°	102.7°
CAJ	CAN	CAM	CAG	0.6°	0.5°
CAN	CAJ	NAO	H10	120.9°	120.2°
CAN	CAJ	NAO	H11	121.0°	120.3°
CAN	CAJ	NAO	CAI	41.3°	52.6°
CAN	CAJ	NAO	CAH	167.0°	175.9°
CAN	CAJ	H10	H11	117.0°	119.5°
CAM	CAG	CAI	H3	120.6°	120.1°
CAM	CAG	CAI	H4	120.6°	120.0°
CAM	CAG	CAI	NAO	43.0°	50.4°
CAM	CAG	CAI	H1	77.5°	69.3°
CAM	CAG	CAI	H2	163.4°	170.2°
CAM	CAG	H3	H4	118.1°	119.7°
CAG	CAM	CAE	H5	0.3°	0.1°
CAJ	NAO	CAI	CAG	55.7°	71.2°
CAJ	NAO	CAI	CAH	128.5°	123.4°
CAJ	NAO	CAH	CAF	58.6°	171.0°
CAJ	NAO	CAI	H1	64.7°	48.4°
CAJ	NAO	CAI	H2	176.2°	168.9°
NAO	CAJ	H10	H11	117.0°	119.5°
CAJ	NAO	CAH	H13	62.1°	51.0°
CAJ	NAO	CAH	H14	179.3°	69.0°
CAG	CAI	NAO	H1	120.4°	119.6°
CAG	CAI	NAO	H2	120.5°	119.9°
CAG	CAI	NAO	CAH	175.8°	165.4°
CAG	CAI	H1	H2	118.6°	120.6°
CAI	CAG	H3	H4	118.1°	119.8°
CAI	NAO	CAH	CAF	175.3°	66.0°
NAO	CAI	H1	H2	118.7°	120.5°
NAO	CAI	CAG	H3	163.6°	69.7°
NAO	CAI	CAG	H4	77.7°	170.5°
CAI	NAO	CAJ	H10	162.3°	172.8°
CAI	NAO	CAJ	H11	79.6°	67.8°
CAI	NAO	CAH	H13	64.0°	173.9°
CAI	NAO	CAH	H14	54.6°	53.9°
CAA	OAK	CAF	CAH	177.1°	180.0°
CAA	OAK	CAF	H15	63.3°	60.1°
CAA	OAK	CAF	H16	57.6°	60.0°
OAK	CAA	H17	H18	120.0°	119.9°
OAK	CAA	H17	H19	120.0°	120.0°
OAK	CAA	H18	H19	120.0°	119.9°
OAK	CAF	CAH	NAO	82.9°	65.0°
OAK	CAF	CAH	H15	119.5°	120.0°
OAK	CAF	CAH	H16	119.5°	120.0°
OAK	CAF	CAH	H13	37.8°	55.0°
OAK	CAF	CAH	H14	156.4°	174.9°
OAK	CAF	H15	H16	121.4°	120.0°
CAF	OAK	CAA	H17	180.0°	180.0°
CAF	OAK	CAA	H18	60.0°	60.0°
CAF	OAK	CAA	H19	60.0°	59.9°
NAO	CAH	CAF	H13	120.7°	120.0°
NAO	CAH	CAF	H14	120.7°	120.0°
CAH	NAO	CAI	H1	63.8°	75.0°
CAH	NAO	CAI	H2	55.3°	45.5°
CAH	NAO	CAJ	H10	72.0°	63.8°
CAH	NAO	CAJ	H11	46.1°	55.6°
NAO	CAH	H13	H14	117.9°	120.0°
NAO	CAH	CAF	H15	36.6°	175.0°
NAO	CAH	CAF	H16	157.5°	55.0°
CAF	CAH	H13	H14	117.9°	119.9°
CAH	CAF	H15	H16	121.4°	120.0°
H1	CAI	CAG	H3	43.1°	170.6°
H1	CAI	CAG	H4	161.9°	50.8°
H2	CAI	CAG	H3	75.9°	50.1°
H2	CAI	CAG	H4	42.8°	69.8°
H5	CAE	CAC	H6	0.0°	0.1°
H6	CAC	CAD	H7	0.9°	0.2°
H13	CAH	CAF	H15	157.3°	64.9°
H13	CAH	CAF	H16	81.8°	175.0°
H14	CAH	CAF	H15	84.1°	55.0°
H14	CAH	CAF	H16	36.8°	65.1°
H17	CAA	H18	H19	120.0°	120.1°

Release date:	2016-06-29
Definition date:	2015-06-16
Last modified:	2016-06-24
Release status:	REL
Processing site:	RCSB
Derived from:	5BZN