G1I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAO	NAN	sing	1.47Å	1.45Å
CAH	CAG	sing	1.53Å	1.53Å
CAH	CAI	sing	1.53Å	1.53Å
NAN	CAI	sing	1.47Å	1.45Å
CAG	CAE	sing	1.51Å	1.53Å
CAI	CAJ	sing	1.53Å	1.53Å
OAK	CAD	sing	1.36Å	1.40Å
CAE	CAD	doub	1.39Å	1.53Å	Aromatic
CAE	CAF	sing	1.38Å	1.31Å	Aromatic
CAJ	CAF	sing	1.51Å	1.52Å
CAJ	OAM	sing	1.43Å	1.40Å
CAD	CAC	sing	1.39Å	1.32Å	Aromatic
CAF	CAA	doub	1.39Å	1.53Å	Aromatic
CAC	OAL	sing	1.36Å	1.40Å
CAC	CAB	doub	1.39Å	1.53Å	Aromatic
CAA	CAB	sing	1.38Å	1.32Å	Aromatic
CAA	H1	sing	1.08Å	1.08Å
CAB	H2	sing	1.08Å	1.08Å
CAG	H3	sing	1.09Å	1.10Å
CAG	H4	sing	1.09Å	1.10Å
CAH	H5	sing	1.09Å	1.10Å
CAH	H6	sing	1.09Å	1.10Å
CAI	H7	sing	1.09Å	1.10Å
CAJ	H8	sing	1.09Å	1.10Å
CAO	H9	sing	1.09Å	1.10Å
CAO	H10	sing	1.09Å	1.10Å
CAO	H11	sing	1.09Å	1.10Å
NAN	H12	sing	1.01Å	1.00Å
OAK	H14	sing	0.97Å	0.95Å
OAL	H15	sing	0.97Å	0.95Å
OAM	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAO	NAN	CAI	109.6°	111.0°
NAN	CAO	H9	109.5°	109.4°
NAN	CAO	H10	109.5°	109.4°
NAN	CAO	H11	109.5°	109.5°
CAO	NAN	H12	109.5°	111.0°
CAG	CAH	CAI	112.7°	108.4°
CAH	CAG	CAE	115.6°	110.6°
CAH	CAG	H3	107.9°	109.2°
CAH	CAG	H4	107.9°	109.3°
CAG	CAH	H5	108.7°	109.7°
CAG	CAH	H6	108.7°	109.6°
CAH	CAI	NAN	109.7°	109.6°
CAH	CAI	CAJ	109.6°	108.2°
CAI	CAH	H5	108.7°	109.7°
CAI	CAH	H6	108.7°	109.7°
CAH	CAI	H7	109.0°	109.7°
NAN	CAI	CAJ	109.4°	109.7°
NAN	CAI	H7	110.1°	109.7°
CAI	NAN	H12	109.4°	111.0°
CAG	CAE	CAD	116.2°	117.8°
CAG	CAE	CAF	122.5°	122.5°
CAE	CAG	H3	107.9°	109.2°
CAE	CAG	H4	107.9°	109.2°
CAI	CAJ	CAF	107.2°	110.6°
CAI	CAJ	OAM	110.4°	109.2°
CAJ	CAI	H7	109.0°	109.9°
CAI	CAJ	H8	108.9°	109.3°
OAK	CAD	CAE	120.2°	119.8°
OAK	CAD	CAC	120.8°	119.8°
CAD	OAK	H14	109.5°	114.0°
CAD	CAE	CAF	121.3°	119.7°
CAE	CAD	CAC	119.0°	120.4°
CAE	CAF	CAJ	118.3°	122.5°
CAE	CAF	CAA	119.8°	119.7°
CAF	CAJ	OAM	110.6°	109.1°
CAJ	CAF	CAA	121.9°	117.7°
CAF	CAJ	H8	108.9°	109.4°
OAM	CAJ	H8	110.7°	109.2°
CAJ	OAM	H16	109.5°	114.0°
CAD	CAC	OAL	120.0°	120.2°
CAD	CAC	CAB	120.0°	119.6°
CAF	CAA	CAB	119.3°	120.8°
CAF	CAA	H1	120.3°	119.6°
OAL	CAC	CAB	120.0°	120.2°
CAC	OAL	H15	109.5°	113.9°
CAC	CAB	CAA	120.6°	119.8°
CAC	CAB	H2	119.7°	120.1°
CAB	CAA	H1	120.4°	119.6°
CAA	CAB	H2	119.7°	120.1°
H3	CAG	H4	109.4°	109.2°
H5	CAH	H6	109.4°	109.7°
H9	CAO	H10	109.5°	109.5°
H9	CAO	H11	109.5°	109.5°
H10	CAO	H11	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAO	NAN	CAI	CAH	78.7°	85.0°
CAO	NAN	CAI	H12	120.0°	124.0°
CAO	NAN	CAI	CAJ	161.0°	156.3°
CAO	NAN	CAI	H7	41.2°	35.5°
NAN	CAO	H9	H10	120.0°	120.0°
NAN	CAO	H9	H11	120.0°	120.0°
NAN	CAO	H10	H11	120.0°	120.0°
CAG	CAH	CAI	H5	120.5°	119.7°
CAG	CAH	CAI	H6	120.5°	119.7°
CAG	CAH	CAI	NAN	165.5°	170.4°
CAH	CAG	CAE	H3	120.9°	120.3°
CAH	CAG	CAE	H4	120.9°	120.3°
CAG	CAH	CAI	CAJ	45.3°	70.0°
CAH	CAG	CAE	CAD	158.1°	162.4°
CAH	CAG	CAE	CAF	22.2°	17.7°
CAH	CAG	H3	H4	117.2°	119.4°
CAG	CAH	H5	H6	118.5°	120.5°
CAG	CAH	CAI	H7	73.9°	49.9°
CAH	CAI	NAN	CAJ	120.3°	118.7°
CAH	CAI	NAN	H7	119.9°	120.5°
CAI	CAH	CAG	CAE	2.6°	51.1°
CAH	CAI	CAJ	H7	119.2°	119.8°
CAH	CAI	CAJ	CAF	66.0°	51.4°
CAH	CAI	CAJ	OAM	173.4°	171.5°
CAI	CAH	CAG	H3	123.6°	69.2°
CAI	CAH	CAG	H4	118.3°	171.4°
CAI	CAH	H5	H6	118.5°	120.6°
CAH	CAI	CAJ	H8	51.6°	69.1°
CAH	CAI	NAN	H12	161.3°	151.0°
NAN	CAI	CAJ	H7	120.4°	120.7°
NAN	CAI	CAJ	CAF	173.6°	171.0°
NAN	CAI	CAJ	OAM	53.0°	68.9°
NAN	CAI	CAH	H5	74.0°	50.7°
NAN	CAI	CAH	H6	45.0°	69.9°
NAN	CAI	CAJ	H8	68.7°	50.5°
CAI	NAN	CAO	H9	180.0°	60.0°
CAI	NAN	CAO	H10	60.0°	180.0°
CAI	NAN	CAO	H11	60.0°	60.0°
CAG	CAE	CAD	OAK	0.2°	0.7°
CAG	CAE	CAD	CAF	179.7°	179.9°
CAG	CAE	CAF	CAJ	0.2°	0.9°
CAG	CAE	CAD	CAC	179.8°	179.4°
CAG	CAE	CAF	CAA	179.7°	178.9°
CAE	CAG	H3	H4	117.2°	119.4°
CAE	CAG	CAH	H5	123.2°	170.9°
CAE	CAG	CAH	H6	117.9°	68.6°
CAI	CAJ	CAF	CAE	43.7°	18.1°
CAI	CAJ	CAF	OAM	120.4°	120.2°
CAI	CAJ	CAF	H8	117.7°	120.4°
CAI	CAJ	OAM	H8	120.6°	119.4°
CAI	CAJ	CAF	CAA	135.8°	161.7°
CAJ	CAI	CAH	H5	165.9°	170.3°
CAJ	CAI	CAH	H6	75.2°	49.7°
CAJ	CAI	NAN	H12	40.9°	32.3°
CAI	CAJ	OAM	H16	180.0°	180.0°
OAK	CAD	CAE	CAC	179.6°	180.0°
OAK	CAD	CAE	CAF	179.9°	179.5°
OAK	CAD	CAC	OAL	0.2°	0.1°
OAK	CAD	CAC	CAB	179.8°	180.0°
CAD	CAE	CAF	CAJ	179.9°	179.2°
CAD	CAE	CAF	CAA	0.5°	1.0°
CAE	CAD	CAC	OAL	179.8°	180.0°
CAE	CAD	CAC	CAB	0.2°	0.1°
CAD	CAE	CAG	H3	81.0°	77.3°
CAD	CAE	CAG	H4	37.2°	42.1°
CAE	CAD	OAK	H14	180.0°	90.0°
CAE	CAF	CAJ	CAA	179.5°	179.8°
CAE	CAF	CAJ	OAM	164.1°	138.3°
CAF	CAE	CAD	CAC	0.4°	0.5°
CAE	CAF	CAA	CAB	0.4°	0.9°
CAE	CAF	CAA	H1	179.6°	179.5°
CAF	CAE	CAG	H3	98.7°	102.6°
CAF	CAE	CAG	H4	143.1°	138.0°
CAE	CAF	CAJ	H8	74.0°	102.3°
CAF	CAJ	OAM	H8	120.8°	119.6°
CAJ	CAF	CAA	CAB	179.9°	179.3°
CAJ	CAF	CAA	H1	0.1°	0.3°
CAF	CAJ	CAI	H7	53.2°	68.4°
CAF	CAJ	OAM	H16	61.5°	59.0°
OAM	CAJ	CAF	CAA	15.4°	41.5°
OAM	CAJ	CAI	H7	67.4°	51.7°
CAD	CAC	OAL	CAB	180.0°	179.9°
CAD	CAC	CAB	CAA	0.0°	0.2°
CAD	CAC	CAB	H2	180.0°	179.8°
CAC	CAD	OAK	H14	0.4°	90.0°
CAD	CAC	OAL	H15	180.0°	90.1°
CAF	CAA	CAB	CAC	0.1°	0.3°
CAF	CAA	CAB	H1	180.0°	179.6°
CAF	CAA	CAB	H2	179.9°	179.7°
CAA	CAF	CAJ	H8	106.5°	77.9°
OAL	CAC	CAB	CAA	179.9°	179.9°
OAL	CAC	CAB	H2	0.0°	0.1°
CAC	CAB	CAA	H2	180.0°	180.0°
CAC	CAB	CAA	H1	179.9°	179.9°
CAB	CAC	OAL	H15	0.0°	90.0°
H1	CAA	CAB	H2	0.1°	0.1°
H3	CAG	CAH	H5	115.9°	50.6°
H3	CAG	CAH	H6	3.0°	171.1°
H4	CAG	CAH	H5	2.2°	68.8°
H4	CAG	CAH	H6	121.2°	51.7°
H5	CAH	CAI	H7	46.6°	69.8°
H6	CAH	CAI	H7	165.6°	169.6°
H7	CAI	CAJ	H8	170.9°	171.1°
H7	CAI	NAN	H12	78.9°	88.5°
H8	CAJ	OAM	H16	59.4°	60.5°
H9	CAO	H10	H11	120.0°	120.1°
H9	CAO	NAN	H12	60.0°	176.0°
H10	CAO	NAN	H12	60.0°	56.1°
H11	CAO	NAN	H12	180.0°	63.9°

Release date:	2023-04-26
Definition date:	2022-05-02
Last modified:	2023-04-21
Release status:	REL
Processing site:	PDBJ
Derived from:	7XKA