HLG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAA	CAC	doub	1.21Å	1.22Å
CAC	CAB	sing	1.51Å	1.50Å
CAC	NAD	sing	1.35Å	1.33Å
NAD	CAE	sing	1.47Å	1.44Å
CAE	CAF	sing	1.53Å	1.53Å
CAF	CAG	sing	1.53Å	1.50Å
CAG	NAH	sing	1.47Å	1.45Å
NAH	CAI	sing	1.47Å	1.45Å
CAI	CAJ	sing	1.53Å	1.54Å
CAJ	CAK	sing	1.53Å	1.51Å
CAK	CAL	sing	1.53Å	1.54Å
CAL	NAM	sing	1.47Å	1.45Å
CAB	H1	sing	1.09Å	1.10Å
CAB	H2	sing	1.09Å	1.10Å
CAB	H3	sing	1.09Å	1.10Å
NAD	H4	sing	0.97Å	1.00Å
CAE	H5	sing	1.09Å	1.10Å
CAE	H6	sing	1.09Å	1.10Å
CAF	H7	sing	1.09Å	1.10Å
CAF	H8	sing	1.09Å	1.10Å
CAG	H9	sing	1.09Å	1.10Å
CAG	H10	sing	1.09Å	1.10Å
NAH	H11	sing	1.01Å	1.00Å
CAI	H13	sing	1.09Å	1.10Å
CAI	H14	sing	1.09Å	1.10Å
CAJ	H15	sing	1.09Å	1.10Å
CAJ	H16	sing	1.09Å	1.10Å
CAK	H17	sing	1.09Å	1.10Å
CAK	H18	sing	1.09Å	1.10Å
CAL	H19	sing	1.09Å	1.10Å
CAL	H20	sing	1.09Å	1.10Å
NAM	H21	sing	1.01Å	1.00Å
NAM	H22	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAA	CAC	CAB	120.8°	120.0°
OAA	CAC	NAD	123.0°	120.0°
CAB	CAC	NAD	116.1°	120.0°
CAC	CAB	H1	109.5°	109.5°
CAC	CAB	H2	109.5°	109.4°
CAC	CAB	H3	109.4°	109.4°
CAC	NAD	CAE	124.7°	120.0°
CAC	NAD	H4	117.6°	120.0°
NAD	CAE	CAF	111.6°	109.4°
CAE	NAD	H4	117.6°	120.0°
NAD	CAE	H5	108.9°	109.4°
NAD	CAE	H6	108.9°	109.5°
CAE	CAF	CAG	112.5°	109.5°
CAF	CAE	H5	108.9°	109.5°
CAF	CAE	H6	108.9°	109.5°
CAE	CAF	H7	108.7°	109.5°
CAE	CAF	H8	108.7°	109.5°
CAF	CAG	NAH	113.8°	109.5°
CAG	CAF	H7	108.7°	109.5°
CAG	CAF	H8	108.7°	109.4°
CAF	CAG	H9	108.4°	109.5°
CAF	CAG	H10	108.4°	109.4°
CAG	NAH	CAI	116.3°	111.0°
NAH	CAG	H9	108.4°	109.5°
NAH	CAG	H10	108.4°	109.5°
CAG	NAH	H11	107.7°	111.1°
NAH	CAI	CAJ	112.9°	109.5°
CAI	NAH	H11	107.7°	111.0°
NAH	CAI	H13	108.6°	109.5°
NAH	CAI	H14	108.6°	109.5°
CAI	CAJ	CAK	114.6°	109.5°
CAJ	CAI	H13	108.6°	109.5°
CAJ	CAI	H14	108.6°	109.5°
CAI	CAJ	H15	108.2°	109.5°
CAI	CAJ	H16	108.2°	109.5°
CAJ	CAK	CAL	109.7°	109.5°
CAK	CAJ	H15	108.2°	109.5°
CAK	CAJ	H16	108.2°	109.5°
CAJ	CAK	H17	109.4°	109.4°
CAJ	CAK	H18	109.4°	109.4°
CAK	CAL	NAM	112.3°	109.5°
CAL	CAK	H17	109.4°	109.5°
CAL	CAK	H18	109.4°	109.5°
CAK	CAL	H19	108.7°	109.5°
CAK	CAL	H20	108.8°	109.5°
NAM	CAL	H19	108.8°	109.5°
NAM	CAL	H20	108.7°	109.5°
CAL	NAM	H21	109.5°	111.0°
CAL	NAM	H22	109.5°	110.9°
H1	CAB	H2	109.5°	109.5°
H1	CAB	H3	109.5°	109.5°
H2	CAB	H3	109.5°	109.5°
H5	CAE	H6	109.5°	109.5°
H7	CAF	H8	109.5°	109.5°
H9	CAG	H10	109.4°	109.4°
H13	CAI	H14	109.5°	109.4°
H15	CAJ	H16	109.5°	109.5°
H17	CAK	H18	109.5°	109.5°
H19	CAL	H20	109.5°	109.5°
H21	NAM	H22	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAA	CAC	CAB	NAD	176.4°	180.0°
OAA	CAC	NAD	CAE	2.1°	0.0°
OAA	CAC	CAB	H1	0.0°	90.0°
OAA	CAC	CAB	H2	120.0°	30.0°
OAA	CAC	CAB	H3	120.0°	150.0°
OAA	CAC	NAD	H4	177.9°	180.0°
CAB	CAC	NAD	CAE	174.1°	180.0°
CAC	CAB	H1	H2	120.0°	119.9°
CAC	CAB	H1	H3	120.0°	120.0°
CAC	CAB	H2	H3	120.0°	120.0°
CAB	CAC	NAD	H4	5.9°	0.0°
CAC	NAD	CAE	H4	180.0°	180.0°
CAC	NAD	CAE	CAF	127.7°	180.0°
NAD	CAC	CAB	H1	176.3°	90.0°
NAD	CAC	CAB	H2	56.3°	150.0°
NAD	CAC	CAB	H3	63.6°	30.0°
CAC	NAD	CAE	H5	7.4°	60.0°
CAC	NAD	CAE	H6	111.9°	60.0°
NAD	CAE	CAF	H5	120.3°	120.0°
NAD	CAE	CAF	H6	120.3°	120.0°
NAD	CAE	CAF	CAG	172.5°	180.0°
NAD	CAE	H5	H6	119.0°	120.0°
NAD	CAE	CAF	H7	67.0°	60.0°
NAD	CAE	CAF	H8	52.1°	60.0°
CAE	CAF	CAG	H7	120.5°	120.1°
CAE	CAF	CAG	H8	120.4°	119.9°
CAE	CAF	CAG	NAH	173.0°	180.0°
CAF	CAE	NAD	H4	52.3°	0.0°
CAF	CAE	H5	H6	119.0°	120.0°
CAE	CAF	H7	H8	118.6°	120.0°
CAE	CAF	CAG	H9	52.3°	60.0°
CAE	CAF	CAG	H10	66.3°	60.0°
CAF	CAG	NAH	H9	120.7°	120.1°
CAF	CAG	NAH	H10	120.6°	120.0°
CAF	CAG	NAH	CAI	176.2°	180.0°
CAG	CAF	CAE	H5	52.2°	60.0°
CAG	CAF	CAE	H6	67.1°	60.0°
CAG	CAF	H7	H8	118.6°	119.9°
CAF	CAG	H9	H10	118.0°	120.0°
CAF	CAG	NAH	H11	55.2°	56.0°
CAG	NAH	CAI	H11	121.0°	124.0°
CAG	NAH	CAI	CAJ	172.5°	180.0°
NAH	CAG	CAF	H7	66.5°	59.9°
NAH	CAG	CAF	H8	52.6°	60.1°
NAH	CAG	H9	H10	118.0°	120.0°
CAG	NAH	CAI	H13	52.0°	60.0°
CAG	NAH	CAI	H14	67.0°	60.0°
NAH	CAI	CAJ	H13	120.5°	120.0°
NAH	CAI	CAJ	H14	120.5°	120.0°
NAH	CAI	CAJ	CAK	74.4°	180.0°
CAI	NAH	CAG	H9	63.1°	60.0°
CAI	NAH	CAG	H10	55.6°	60.0°
NAH	CAI	H13	H14	118.4°	120.0°
NAH	CAI	CAJ	H15	46.4°	60.0°
NAH	CAI	CAJ	H16	164.9°	60.0°
CAI	CAJ	CAK	H15	120.8°	120.0°
CAI	CAJ	CAK	H16	120.8°	120.0°
CAI	CAJ	CAK	CAL	170.8°	180.0°
CAJ	CAI	NAH	H11	66.5°	56.0°
CAJ	CAI	H13	H14	118.5°	120.0°
CAI	CAJ	H15	H16	117.7°	120.0°
CAI	CAJ	CAK	H17	50.8°	60.0°
CAI	CAJ	CAK	H18	69.2°	60.0°
CAJ	CAK	CAL	H17	120.0°	120.0°
CAJ	CAK	CAL	H18	120.0°	120.0°
CAJ	CAK	CAL	NAM	142.8°	180.0°
CAK	CAJ	CAI	H13	165.1°	60.0°
CAK	CAJ	CAI	H14	46.1°	60.0°
CAK	CAJ	H15	H16	117.7°	120.0°
CAJ	CAK	H17	H18	119.9°	119.9°
CAJ	CAK	CAL	H19	22.4°	60.0°
CAJ	CAK	CAL	H20	96.8°	60.0°
CAK	CAL	NAM	H19	120.4°	120.0°
CAK	CAL	NAM	H20	120.4°	120.0°
CAL	CAK	CAJ	H15	68.4°	60.0°
CAL	CAK	CAJ	H16	50.1°	60.0°
CAL	CAK	H17	H18	119.9°	120.1°
CAK	CAL	H19	H20	118.7°	120.0°
CAK	CAL	NAM	H21	180.0°	180.0°
CAK	CAL	NAM	H22	60.0°	56.1°
NAM	CAL	CAK	H17	97.2°	60.0°
NAM	CAL	CAK	H18	22.8°	60.0°
NAM	CAL	H19	H20	118.7°	120.0°
CAL	NAM	H21	H22	120.0°	123.9°
H1	CAB	H2	H3	120.0°	120.1°
H4	NAD	CAE	H5	172.6°	120.0°
H4	NAD	CAE	H6	68.1°	120.0°
H5	CAE	CAF	H7	172.7°	180.0°
H5	CAE	CAF	H8	68.2°	60.0°
H6	CAE	CAF	H7	53.3°	60.0°
H6	CAE	CAF	H8	172.4°	180.0°
H7	CAF	CAG	H9	172.8°	180.0°
H7	CAF	CAG	H10	54.1°	60.0°
H8	CAF	CAG	H9	68.1°	60.0°
H8	CAF	CAG	H10	173.2°	180.0°
H9	CAG	NAH	H11	175.9°	176.1°
H10	CAG	NAH	H11	65.4°	64.0°
H11	NAH	CAI	H13	173.0°	176.0°
H11	NAH	CAI	H14	54.0°	64.0°
H13	CAI	CAJ	H15	74.2°	180.0°
H13	CAI	CAJ	H16	44.3°	60.0°
H14	CAI	CAJ	H15	166.9°	60.0°
H14	CAI	CAJ	H16	74.6°	180.0°
H15	CAJ	CAK	H17	171.5°	180.0°
H15	CAJ	CAK	H18	51.6°	60.0°
H16	CAJ	CAK	H17	70.0°	60.0°
H16	CAJ	CAK	H18	170.1°	180.0°
H17	CAK	CAL	H19	142.4°	179.9°
H17	CAK	CAL	H20	23.3°	60.0°
H18	CAK	CAL	H19	97.6°	60.0°
H18	CAK	CAL	H20	143.2°	180.0°
H19	CAL	NAM	H21	59.6°	60.0°
H19	CAL	NAM	H22	179.6°	176.1°
H20	CAL	NAM	H21	59.6°	60.0°
H20	CAL	NAM	H22	60.4°	63.9°

Release date:	2019-07-10
Definition date:	2018-07-11
Last modified:	2019-07-05
Release status:	REL
Processing site:	RCSB
Derived from:	6E1X