3XR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAD	CAK	doub	1.21Å	1.27Å
OAC	CAK	sing	1.34Å	1.30Å
CAK	CAN	sing	1.51Å	1.54Å
OAE	CAL	sing	1.43Å	1.39Å
CAL	CAN	sing	1.53Å	1.54Å
CAL	CAM	sing	1.53Å	1.52Å
CAN	CAG	sing	1.53Å	1.55Å
CAG	NAI	sing	1.47Å	1.47Å
CAM	OAF	sing	1.43Å	1.42Å
CAM	CAO	sing	1.53Å	1.50Å
CAO	NAI	sing	1.47Å	1.50Å
CAO	NAH	sing	1.47Å	1.40Å
NAH	CAJ	sing	1.35Å	1.29Å
OAB	CAJ	doub	1.21Å	1.23Å
CAJ	CAA	sing	1.51Å	1.50Å
CAA	H1	sing	1.09Å	1.10Å
CAA	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
NAH	H4	sing	0.97Å	1.00Å
CAO	H5	sing	1.09Å	1.10Å
NAI	H6	sing	1.01Å	1.00Å
CAG	H8	sing	1.09Å	1.10Å
CAG	H9	sing	1.09Å	1.10Å
CAN	H10	sing	1.09Å	1.10Å
OAC	H11	sing	0.97Å	0.95Å
CAL	H12	sing	1.09Å	1.10Å
OAE	H13	sing	0.97Å	0.95Å
CAM	H14	sing	1.09Å	1.10Å
OAF	H15	sing	0.97Å	0.95Å
NAI	H7	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAD	CAK	OAC	124.6°	120.0°
OAD	CAK	CAN	117.9°	120.0°
OAC	CAK	CAN	117.4°	120.0°
CAK	OAC	H11	109.5°	117.1°
CAK	CAN	CAL	113.1°	109.5°
CAK	CAN	CAG	116.2°	109.5°
CAK	CAN	H10	107.2°	109.5°
OAE	CAL	CAN	110.0°	109.6°
OAE	CAL	CAM	110.0°	109.5°
OAE	CAL	H12	111.4°	109.7°
CAL	OAE	H13	109.5°	114.0°
CAN	CAL	CAM	106.6°	109.1°
CAL	CAN	CAG	105.7°	109.3°
CAL	CAN	H10	107.2°	109.5°
CAN	CAL	H12	109.3°	109.5°
CAL	CAM	OAF	110.9°	109.5°
CAL	CAM	CAO	110.6°	109.3°
CAM	CAL	H12	109.5°	109.5°
CAL	CAM	H14	107.1°	109.5°
CAN	CAG	NAI	109.3°	109.6°
CAN	CAG	H8	109.5°	109.4°
CAN	CAG	H9	109.5°	109.4°
CAG	CAN	H10	107.1°	109.5°
CAG	NAI	CAO	104.2°	109.8°
CAG	NAI	H6	110.8°	109.4°
NAI	CAG	H8	109.5°	109.4°
NAI	CAG	H9	109.5°	109.4°
CAG	NAI	H7	110.8°	109.4°
OAF	CAM	CAO	112.3°	109.5°
OAF	CAM	H14	108.3°	109.5°
CAM	OAF	H15	109.5°	114.0°
CAM	CAO	NAI	110.8°	109.6°
CAM	CAO	NAH	107.4°	109.5°
CAM	CAO	H5	111.0°	109.5°
CAO	CAM	H14	107.4°	109.5°
NAI	CAO	NAH	103.8°	109.4°
NAI	CAO	H5	111.0°	109.4°
CAO	NAI	H6	110.8°	109.4°
CAO	NAI	H7	110.8°	109.4°
CAO	NAH	CAJ	121.1°	120.0°
CAO	NAH	H4	119.5°	120.0°
NAH	CAO	H5	112.5°	109.4°
NAH	CAJ	OAB	122.0°	120.0°
NAH	CAJ	CAA	114.7°	120.0°
CAJ	NAH	H4	119.4°	120.0°
OAB	CAJ	CAA	123.2°	120.0°
CAJ	CAA	H1	109.5°	109.4°
CAJ	CAA	H2	109.5°	109.5°
CAJ	CAA	H3	109.5°	109.5°
H1	CAA	H2	109.4°	109.4°
H1	CAA	H3	109.5°	109.5°
H2	CAA	H3	109.5°	109.4°
H6	NAI	H7	109.4°	109.4°
H8	CAG	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAD	CAK	OAC	CAN	175.8°	180.0°
OAD	CAK	CAN	CAL	12.8°	0.2°
OAD	CAK	CAN	CAG	135.2°	120.0°
OAD	CAK	CAN	H10	105.1°	119.9°
OAD	CAK	OAC	H11	0.0°	0.0°
OAC	CAK	CAN	CAL	171.2°	179.8°
OAC	CAK	CAN	CAG	48.7°	60.0°
OAC	CAK	CAN	H10	70.9°	60.1°
CAK	CAN	CAL	OAE	69.9°	57.1°
CAK	CAN	CAL	CAG	128.2°	119.9°
CAK	CAN	CAL	H10	117.9°	120.1°
CAK	CAN	CAL	CAM	170.9°	176.9°
CAK	CAN	CAG	H10	119.7°	120.1°
CAK	CAN	CAG	NAI	164.7°	179.9°
CAK	CAN	CAG	H8	44.7°	60.0°
CAK	CAN	CAG	H9	75.4°	60.1°
CAN	CAK	OAC	H11	175.7°	180.0°
CAK	CAN	CAL	H12	52.6°	63.2°
OAE	CAL	CAN	CAM	119.2°	119.8°
OAE	CAL	CAN	H12	122.5°	120.3°
OAE	CAL	CAM	H12	122.7°	120.3°
OAE	CAL	CAN	CAG	58.2°	62.9°
OAE	CAL	CAM	OAF	65.1°	57.0°
OAE	CAL	CAM	CAO	60.2°	62.9°
OAE	CAL	CAN	H10	172.2°	177.2°
OAE	CAL	CAM	H14	176.9°	177.1°
CAN	CAL	CAM	H12	118.1°	119.8°
CAL	CAN	CAG	H10	114.0°	120.0°
CAL	CAN	CAG	NAI	69.1°	60.0°
CAN	CAL	CAM	OAF	175.7°	176.9°
CAN	CAL	CAM	CAO	59.0°	56.9°
CAL	CAN	CAG	H8	171.0°	60.0°
CAL	CAN	CAG	H9	50.9°	180.0°
CAN	CAL	OAE	H13	180.0°	180.0°
CAN	CAL	CAM	H14	57.7°	63.0°
CAM	CAL	CAN	CAG	60.9°	57.0°
CAL	CAM	OAF	CAO	124.3°	119.8°
CAL	CAM	OAF	H14	117.3°	120.1°
CAL	CAM	CAO	H14	116.6°	120.0°
CAL	CAM	CAO	NAI	61.2°	59.9°
CAL	CAM	CAO	NAH	174.0°	180.0°
CAL	CAM	CAO	H5	62.6°	60.1°
CAM	CAL	CAN	H10	53.0°	63.0°
CAM	CAL	OAE	H13	62.9°	60.4°
CAL	CAM	OAF	H15	180.0°	60.0°
CAN	CAG	NAI	H8	120.0°	120.0°
CAN	CAG	NAI	H9	120.0°	120.0°
CAN	CAG	NAI	CAO	67.8°	63.1°
CAN	CAG	NAI	H6	51.4°	176.8°
CAN	CAG	H8	H9	120.1°	120.0°
CAG	CAN	CAL	H12	179.2°	176.8°
CAN	CAG	NAI	H7	173.0°	56.9°
CAG	NAI	CAO	CAM	63.3°	63.1°
CAG	NAI	CAO	H6	119.2°	120.1°
CAG	NAI	CAO	H7	119.2°	120.0°
CAG	NAI	CAO	NAH	178.3°	176.8°
CAG	NAI	CAO	H5	60.5°	56.9°
CAG	NAI	H6	H7	122.4°	119.8°
NAI	CAG	H8	H9	120.0°	119.9°
NAI	CAG	CAN	H10	45.0°	60.0°
OAF	CAM	CAO	H14	118.9°	120.1°
OAF	CAM	CAO	NAI	174.3°	179.9°
OAF	CAM	CAO	NAH	61.5°	60.0°
OAF	CAM	CAO	H5	61.9°	59.9°
OAF	CAM	CAL	H12	57.6°	63.3°
CAM	CAO	NAI	NAH	115.0°	120.1°
CAM	CAO	NAI	H5	123.9°	120.1°
CAM	CAO	NAH	H5	122.5°	119.9°
CAM	CAO	NAH	CAJ	136.5°	134.8°
CAM	CAO	NAH	H4	43.5°	45.2°
CAM	CAO	NAI	H6	55.9°	176.7°
CAO	CAM	CAL	H12	177.1°	176.8°
CAO	CAM	OAF	H15	55.6°	179.8°
CAM	CAO	NAI	H7	177.5°	56.9°
NAI	CAO	NAH	H5	120.1°	119.9°
NAI	CAO	NAH	CAJ	106.1°	105.0°
NAI	CAO	NAH	H4	73.9°	75.0°
CAO	NAI	H6	H7	122.4°	119.8°
CAO	NAI	CAG	H8	172.2°	56.9°
CAO	NAI	CAG	H9	52.2°	176.9°
NAI	CAO	CAM	H14	55.3°	60.0°
CAO	NAH	CAJ	H4	180.0°	180.0°
CAO	NAH	CAJ	OAB	7.5°	0.0°
CAO	NAH	CAJ	CAA	177.0°	180.0°
NAH	CAO	NAI	H6	59.1°	56.7°
NAH	CAO	CAM	H14	57.4°	60.0°
NAH	CAO	NAI	H7	62.5°	63.2°
NAH	CAJ	OAB	CAA	175.1°	179.9°
NAH	CAJ	CAA	H1	175.4°	180.0°
NAH	CAJ	CAA	H2	64.6°	60.0°
NAH	CAJ	CAA	H3	55.4°	59.9°
CAJ	NAH	CAO	H5	14.0°	14.9°
OAB	CAJ	CAA	H1	0.0°	0.1°
OAB	CAJ	CAA	H2	120.0°	120.0°
OAB	CAJ	CAA	H3	120.0°	120.0°
OAB	CAJ	NAH	H4	172.5°	180.0°
CAJ	CAA	H1	H2	120.0°	120.0°
CAJ	CAA	H1	H3	120.0°	120.1°
CAJ	CAA	H2	H3	120.0°	120.0°
CAA	CAJ	NAH	H4	3.0°	0.0°
H1	CAA	H2	H3	120.0°	120.0°
H4	NAH	CAO	H5	166.0°	165.1°
H5	CAO	NAI	H6	179.7°	63.2°
H5	CAO	CAM	H14	179.2°	180.0°
H5	CAO	NAI	H7	58.7°	177.0°
H6	NAI	CAG	H8	68.6°	63.2°
H6	NAI	CAG	H9	171.4°	56.7°
H8	CAG	CAN	H10	75.0°	179.9°
H8	CAG	NAI	H7	53.0°	176.9°
H9	CAG	CAN	H10	164.9°	60.0°
H9	CAG	NAI	H7	67.0°	63.1°
H10	CAN	CAL	H12	65.3°	56.9°
H12	CAL	OAE	H13	58.7°	59.8°
H12	CAL	CAM	H14	60.4°	56.8°
H14	CAM	OAF	H15	62.7°	60.1°

Release date:	2015-07-22
Definition date:	2014-12-08
Last modified:	2015-07-17
Release status:	REL
Processing site:	EBI
Derived from:	4X6K