A1D7O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAJ	CAK	doub	1.38Å	1.40Å	Aromatic
CAJ	CAI	sing	1.38Å	1.39Å	Aromatic
CAK	CAL	sing	1.38Å	1.39Å	Aromatic
CAI	CAH	doub	1.38Å	1.40Å	Aromatic
CAL	CAM	doub	1.38Å	1.40Å	Aromatic
CAO	CAN	sing	1.53Å	1.53Å
CAH	CAM	sing	1.38Å	1.41Å	Aromatic
CAH	CAG	sing	1.51Å	1.40Å
O	C	doub	1.21Å	1.22Å
CA	C	sing	1.51Å	1.39Å
CA	N	sing	1.47Å	1.48Å
C	CAN	sing	1.51Å	1.40Å
CAG	N	sing	1.47Å	1.49Å
CAA	CAN	sing	1.53Å	1.50Å
CAA	CAD	sing	1.53Å	1.49Å
N	CAD	sing	1.47Å	1.47Å
CAD	H1	sing	1.09Å	1.10Å
CAD	H2	sing	1.09Å	1.10Å
CAA	H3	sing	1.09Å	1.10Å
CAA	H4	sing	1.09Å	1.10Å
CAN	H5	sing	1.09Å	1.10Å
CAO	H6	sing	1.09Å	1.10Å
CAO	H7	sing	1.09Å	1.10Å
CAO	H8	sing	1.09Å	1.10Å
CA	H9	sing	1.09Å	1.10Å
CA	H10	sing	1.09Å	1.10Å
CAG	H12	sing	1.09Å	1.10Å
CAG	H13	sing	1.09Å	1.10Å
CAI	H14	sing	1.08Å	1.08Å
CAJ	H15	sing	1.08Å	1.08Å
CAK	H16	sing	1.08Å	1.08Å
CAL	H17	sing	1.08Å	1.08Å
CAM	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAK	CAJ	CAI	121.6°	120.0°
CAJ	CAK	CAL	120.4°	120.0°
CAK	CAJ	H15	119.2°	120.0°
CAJ	CAK	H16	119.8°	120.0°
CAJ	CAI	CAH	119.1°	120.0°
CAJ	CAI	H14	120.4°	120.1°
CAI	CAJ	H15	119.2°	120.0°
CAK	CAL	CAM	118.3°	120.0°
CAL	CAK	H16	119.8°	120.0°
CAK	CAL	H17	120.8°	120.0°
CAI	CAH	CAM	118.8°	120.0°
CAI	CAH	CAG	115.7°	120.0°
CAH	CAI	H14	120.4°	119.9°
CAL	CAM	CAH	121.8°	120.0°
CAM	CAL	H17	120.8°	120.0°
CAL	CAM	H18	119.1°	120.0°
CAO	CAN	C	112.7°	109.8°
CAO	CAN	CAA	110.0°	109.8°
CAO	CAN	H5	107.9°	109.7°
CAN	CAO	H6	109.5°	109.4°
CAN	CAO	H7	109.5°	109.5°
CAN	CAO	H8	109.5°	109.4°
CAM	CAH	CAG	125.4°	120.0°
CAH	CAM	H18	119.1°	120.0°
CAH	CAG	N	122.1°	109.5°
CAH	CAG	H12	106.2°	109.5°
CAH	CAG	H13	106.2°	109.4°
O	C	CA	119.0°	121.0°
O	C	CAN	119.9°	121.0°
C	CA	N	116.1°	108.5°
CA	C	CAN	121.1°	118.0°
C	CA	H9	107.8°	109.6°
C	CA	H10	107.8°	109.7°
CA	N	CAG	109.5°	111.0°
CA	N	CAD	112.5°	111.3°
N	CA	H9	107.8°	109.6°
N	CA	H10	107.8°	109.7°
C	CAN	CAA	108.1°	108.1°
C	CAN	H5	109.7°	109.8°
CAG	N	CAD	120.5°	110.9°
N	CAG	H12	106.2°	109.5°
N	CAG	H13	106.2°	109.5°
CAN	CAA	CAD	107.6°	109.1°
CAN	CAA	H3	109.9°	109.5°
CAN	CAA	H4	109.9°	109.5°
CAA	CAN	H5	108.4°	109.7°
CAA	CAD	N	110.4°	109.8°
CAA	CAD	H1	109.2°	109.4°
CAA	CAD	H2	109.2°	109.4°
CAD	CAA	H3	109.9°	109.5°
CAD	CAA	H4	110.0°	109.5°
N	CAD	H1	109.2°	109.4°
N	CAD	H2	109.2°	109.4°
H1	CAD	H2	109.5°	109.4°
H3	CAA	H4	109.5°	109.7°
H6	CAO	H7	109.5°	109.5°
H6	CAO	H8	109.5°	109.5°
H7	CAO	H8	109.5°	109.5°
H9	CA	H10	109.5°	109.7°
H12	CAG	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAK	CAJ	CAI	H15	180.0°	180.0°
CAJ	CAK	CAL	H16	180.0°	180.0°
CAK	CAJ	CAI	CAH	0.1°	0.1°
CAJ	CAK	CAL	CAM	0.4°	0.1°
CAK	CAJ	CAI	H14	179.9°	180.0°
CAJ	CAK	CAL	H17	179.6°	180.0°
CAI	CAJ	CAK	CAL	0.6°	0.0°
CAJ	CAI	CAH	H14	180.0°	179.9°
CAJ	CAI	CAH	CAM	1.1°	0.1°
CAJ	CAI	CAH	CAG	178.6°	179.8°
CAI	CAJ	CAK	H16	179.4°	180.0°
CAK	CAL	CAM	H17	180.0°	180.0°
CAK	CAL	CAM	CAH	0.6°	0.1°
CAL	CAK	CAJ	H15	179.4°	180.0°
CAK	CAL	CAM	H18	179.4°	179.7°
CAI	CAH	CAM	CAL	1.4°	0.0°
CAI	CAH	CAM	CAG	177.2°	179.7°
CAI	CAH	CAG	N	137.5°	89.7°
CAI	CAH	CAG	H12	15.8°	150.3°
CAI	CAH	CAG	H13	100.7°	30.3°
CAH	CAI	CAJ	H15	179.9°	180.0°
CAI	CAH	CAM	H18	178.6°	179.7°
CAL	CAM	CAH	H18	180.0°	179.7°
CAL	CAM	CAH	CAG	178.6°	179.7°
CAM	CAL	CAK	H16	179.7°	179.9°
CAO	CAN	C	O	47.4°	109.5°
CAO	CAN	C	CA	130.3°	70.6°
CAO	CAN	C	CAA	121.8°	119.7°
CAO	CAN	C	H5	120.3°	120.7°
CAO	CAN	CAA	H5	117.8°	120.6°
CAO	CAN	CAA	CAD	177.4°	67.3°
CAO	CAN	CAA	H3	62.9°	172.9°
CAO	CAN	CAA	H4	57.7°	52.6°
CAN	CAO	H6	H7	120.0°	120.0°
CAN	CAO	H6	H8	120.0°	119.9°
CAN	CAO	H7	H8	120.0°	120.0°
CAM	CAH	CAG	N	45.2°	90.0°
CAM	CAH	CAG	H12	166.9°	30.0°
CAM	CAH	CAG	H13	76.6°	150.0°
CAM	CAH	CAI	H14	178.9°	180.0°
CAH	CAM	CAL	H17	179.4°	180.0°
CAH	CAG	N	CA	98.4°	66.1°
CAH	CAG	N	H12	121.7°	120.1°
CAH	CAG	N	H13	121.8°	120.0°
CAH	CAG	N	CAD	34.5°	169.7°
CAH	CAG	H12	H13	114.3°	120.0°
CAG	CAH	CAI	H14	1.4°	0.3°
CAG	CAH	CAM	H18	1.4°	0.0°
O	C	CA	CAN	177.7°	180.0°
O	C	CA	N	144.6°	129.7°
O	C	CAN	CAA	169.2°	130.8°
O	C	CAN	H5	72.9°	11.2°
O	C	CA	H9	23.7°	10.0°
O	C	CA	H10	94.4°	110.6°
C	CA	N	H9	121.0°	119.7°
C	CA	N	H10	121.0°	119.8°
C	CA	N	CAG	167.1°	179.7°
CA	C	CAN	CAA	8.5°	49.1°
C	CA	N	CAD	30.2°	56.3°
CA	C	CAN	H5	109.5°	168.7°
C	CA	H9	H10	117.0°	120.5°
N	CA	C	CAN	37.7°	50.3°
CA	N	CAG	CAD	132.9°	124.2°
CA	N	CAD	CAA	19.9°	65.4°
CA	N	CAD	H1	140.1°	54.6°
CA	N	CAD	H2	100.2°	174.5°
N	CA	H9	H10	117.0°	120.5°
CA	N	CAG	H12	23.3°	54.0°
CA	N	CAG	H13	139.8°	173.9°
C	CAN	CAA	H5	118.8°	119.7°
C	CAN	CAA	CAD	59.1°	52.5°
C	CAN	CAA	H3	60.6°	67.4°
C	CAN	CAA	H4	178.9°	172.3°
C	CAN	CAO	H6	180.0°	58.7°
C	CAN	CAO	H7	60.0°	61.3°
C	CAN	CAO	H8	60.0°	178.7°
CAN	C	CA	H9	158.6°	170.0°
CAN	C	CA	H10	83.2°	69.5°
CAG	N	CAD	CAA	111.7°	170.5°
CAG	N	CAD	H1	8.4°	69.5°
CAG	N	CAD	H2	128.2°	50.4°
CAG	N	CA	H9	71.9°	60.0°
CAG	N	CA	H10	46.1°	60.5°
N	CAG	H12	H13	114.3°	120.0°
CAN	CAA	CAD	H3	119.7°	119.9°
CAN	CAA	CAD	H4	119.7°	119.8°
CAN	CAA	CAD	N	65.5°	62.8°
CAN	CAA	CAD	H1	174.3°	57.2°
CAN	CAA	CAD	H2	54.6°	177.1°
CAN	CAA	H3	H4	120.8°	120.2°
CAA	CAN	CAO	H6	59.3°	60.0°
CAA	CAN	CAO	H7	60.7°	180.0°
CAA	CAN	CAO	H8	179.3°	59.9°
CAA	CAD	N	H1	120.2°	120.0°
CAA	CAD	N	H2	120.1°	120.1°
CAA	CAD	H1	H2	119.5°	119.8°
CAD	CAA	H3	H4	120.9°	120.2°
CAD	CAA	CAN	H5	59.6°	172.1°
N	CAD	H1	H2	119.6°	119.9°
N	CAD	CAA	H3	54.2°	57.1°
N	CAD	CAA	H4	174.7°	177.4°
CAD	N	CA	H9	151.1°	175.9°
CAD	N	CA	H10	90.8°	63.5°
CAD	N	CAG	H12	156.3°	70.2°
CAD	N	CAG	H13	87.3°	49.7°
H1	CAD	CAA	H3	66.0°	177.1°
H1	CAD	CAA	H4	54.6°	62.6°
H2	CAD	CAA	H3	174.3°	63.0°
H2	CAD	CAA	H4	65.1°	57.2°
H3	CAA	CAN	H5	179.3°	52.3°
H4	CAA	CAN	H5	60.1°	68.0°
H5	CAN	CAO	H6	58.8°	179.4°
H5	CAN	CAO	H7	178.8°	59.4°
H5	CAN	CAO	H8	61.3°	60.6°
H6	CAO	H7	H8	120.0°	120.0°
H14	CAI	CAJ	H15	0.1°	0.0°
H15	CAJ	CAK	H16	0.6°	0.0°
H16	CAK	CAL	H17	0.4°	0.0°
H17	CAL	CAM	H18	0.6°	0.3°

Release date:	2025-07-09
Definition date:	2024-04-06
Last modified:	2025-07-04
Release status:	REL
Processing site:	PDBC
Derived from:	8YXY