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Summary Geometry Related PDB entries

12T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAK	NAA	sing	1.39Å	1.35Å
NAA	HNAA	sing	0.97Å	1.00Å
NAA	HNAB	sing	0.97Å	1.00Å
CAI	OAB	sing	1.35Å	1.22Å
OAB	HOAB	sing	0.97Å	0.95Å
OAC	CAJ	doub	1.21Å	1.26Å
OAD	CAI	doub	1.21Å	1.21Å
CAJ	OAE	sing	1.35Å	1.22Å
OAE	HOAE	sing	0.97Å	0.95Å
CAF	CAL	doub	1.40Å	1.40Å	Aromatic
CAF	CAG	sing	1.38Å	1.38Å	Aromatic
CAF	HAF	sing	1.08Å	1.08Å
CAG	CAM	doub	1.40Å	1.40Å	Aromatic
CAG	HAG	sing	1.08Å	1.08Å
CAL	CAH	sing	1.39Å	1.36Å	Aromatic
CAH	CAK	doub	1.39Å	1.38Å	Aromatic
CAH	HAH	sing	1.08Å	1.08Å
CAI	CAL	sing	1.48Å	1.49Å
CAM	CAJ	sing	1.48Å	1.51Å
CAM	CAK	sing	1.40Å	1.41Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAK	NAA	HNAA	109.5°	120.0°
CAK	NAA	HNAB	109.5°	120.1°
NAA	CAK	CAH	116.4°	120.2°
NAA	CAK	CAM	124.3°	120.1°
HNAA	NAA	HNAB	109.4°	120.0°
CAI	OAB	HOAB	109.5°	117.0°
OAB	CAI	OAD	126.0°	120.0°
OAB	CAI	CAL	117.3°	120.0°
OAC	CAJ	OAE	125.1°	120.0°
OAC	CAJ	CAM	120.5°	120.0°
OAD	CAI	CAL	116.4°	120.0°
CAJ	OAE	HOAE	109.5°	117.0°
OAE	CAJ	CAM	114.4°	120.0°
CAL	CAF	CAG	119.2°	120.2°
CAL	CAF	HAF	120.4°	119.9°
CAF	CAL	CAH	123.7°	120.2°
CAF	CAL	CAI	118.1°	119.9°
CAG	CAF	HAF	120.4°	119.9°
CAF	CAG	CAM	117.6°	120.1°
CAF	CAG	HAG	121.2°	120.0°
CAM	CAG	HAG	121.2°	119.9°
CAG	CAM	CAJ	119.1°	120.0°
CAG	CAM	CAK	122.2°	119.9°
CAL	CAH	CAK	118.1°	119.9°
CAL	CAH	HAH	120.9°	120.1°
CAH	CAL	CAI	118.2°	119.9°
CAK	CAH	HAH	120.9°	120.0°
CAH	CAK	CAM	119.2°	119.8°
CAJ	CAM	CAK	118.7°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAK	NAA	HNAA	HNAB	120.0°	179.7°
NAA	CAK	CAM	CAG	179.9°	179.9°
NAA	CAK	CAH	CAL	179.5°	180.0°
NAA	CAK	CAH	CAM	179.7°	179.9°
NAA	CAK	CAH	HAH	0.5°	0.1°
NAA	CAK	CAM	CAJ	0.7°	0.0°
HNAA	NAA	CAK	CAH	180.0°	5.6°
HNAA	NAA	CAK	CAM	0.3°	174.3°
HNAB	NAA	CAK	CAH	60.0°	174.1°
HNAB	NAA	CAK	CAM	120.3°	6.0°
OAB	CAI	OAD	CAL	173.6°	180.0°
OAB	CAI	CAL	CAF	133.8°	0.1°
OAB	CAI	CAL	CAH	46.8°	180.0°
HOAB	OAB	CAI	OAD	0.0°	0.0°
HOAB	OAB	CAI	CAL	173.6°	179.9°
OAC	CAJ	OAE	CAM	179.9°	179.9°
OAC	CAJ	OAE	HOAE	0.0°	0.0°
OAC	CAJ	CAM	CAG	36.2°	174.1°
OAC	CAJ	CAM	CAK	144.4°	6.0°
OAD	CAI	CAL	CAF	40.4°	180.0°
OAD	CAI	CAL	CAH	139.0°	0.0°
OAE	CAJ	CAM	CAG	143.9°	5.9°
OAE	CAJ	CAM	CAK	35.5°	174.1°
HOAE	OAE	CAJ	CAM	179.9°	180.0°
CAL	CAF	CAG	HAF	180.0°	179.8°
CAL	CAF	CAG	CAM	0.9°	0.0°
CAL	CAF	CAG	HAG	179.1°	180.0°
CAF	CAL	CAH	CAI	179.3°	180.0°
CAF	CAL	CAH	CAK	1.1°	0.1°
CAF	CAL	CAH	HAH	178.9°	180.0°
CAF	CAG	CAM	HAG	180.0°	179.9°
CAG	CAF	CAL	CAH	1.4°	0.0°
CAG	CAF	CAL	CAI	179.3°	180.0°
CAF	CAG	CAM	CAJ	179.2°	180.0°
CAF	CAG	CAM	CAK	0.1°	0.0°
HAF	CAF	CAG	CAM	179.1°	179.8°
HAF	CAF	CAG	HAG	0.9°	0.3°
HAF	CAF	CAL	CAH	178.6°	179.8°
HAF	CAF	CAL	CAI	0.7°	0.2°
CAG	CAM	CAK	CAH	0.2°	0.0°
CAG	CAM	CAJ	CAK	179.4°	180.0°
HAG	CAG	CAM	CAJ	0.7°	0.1°
HAG	CAG	CAM	CAK	179.9°	179.9°
CAL	CAH	CAK	HAH	180.0°	179.9°
CAL	CAH	CAK	CAM	0.2°	0.1°
CAK	CAH	CAL	CAI	179.6°	180.0°
CAH	CAK	CAM	CAJ	179.6°	179.9°
HAH	CAH	CAL	CAI	0.4°	0.1°
HAH	CAH	CAK	CAM	179.7°	180.0°

222415

PDB entries from 2024-07-10

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