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Summary Geometry Related PDB entries

CQL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAA	CAJ	sing	1.36Å	1.37Å
CLAB	CAI	sing	1.74Å	1.81Å
IAC	CAK	sing	2.10Å	2.09Å
CAD	CAE	doub	1.39Å	1.39Å	Aromatic
CAD	CAF	sing	1.37Å	1.39Å	Aromatic
CAE	NAH	sing	1.31Å	1.33Å	Aromatic
CAF	CAL	doub	1.41Å	1.37Å	Aromatic
CAG	CAI	doub	1.36Å	1.40Å	Aromatic
CAG	CAK	sing	1.39Å	1.40Å	Aromatic
NAH	CAM	doub	1.34Å	1.35Å	Aromatic
CAI	CAL	sing	1.41Å	1.38Å	Aromatic
CAJ	CAK	doub	1.37Å	1.38Å	Aromatic
CAJ	CAM	sing	1.41Å	1.36Å	Aromatic
CAL	CAM	sing	1.42Å	1.40Å	Aromatic
OAA	HOAA	sing	0.97Å	0.95Å
CAD	HAD	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAA	CAJ	CAK	122.2°	120.2°
OAA	CAJ	CAM	119.5°	120.1°
CAJ	OAA	HOAA	109.5°	114.0°
CLAB	CAI	CAG	123.8°	120.1°
CLAB	CAI	CAL	119.0°	120.2°
IAC	CAK	CAG	122.9°	119.5°
IAC	CAK	CAJ	115.1°	119.5°
CAE	CAD	CAF	120.9°	119.9°
CAD	CAE	NAH	120.5°	121.8°
CAE	CAD	HAD	119.5°	120.0°
CAD	CAE	HAE	119.8°	119.1°
CAD	CAF	CAL	118.0°	118.2°
CAF	CAD	HAD	119.5°	120.1°
CAD	CAF	HAF	121.0°	120.9°
CAE	NAH	CAM	119.0°	121.3°
NAH	CAE	HAE	119.8°	119.1°
CAF	CAL	CAI	118.6°	121.4°
CAF	CAL	CAM	118.7°	119.0°
CAL	CAF	HAF	121.0°	120.9°
CAI	CAG	CAK	119.6°	120.9°
CAG	CAI	CAL	117.3°	119.7°
CAI	CAG	HAG	120.2°	119.6°
CAG	CAK	CAJ	122.0°	121.0°
CAK	CAG	HAG	120.2°	119.5°
NAH	CAM	CAJ	117.0°	121.1°
NAH	CAM	CAL	122.8°	119.9°
CAI	CAL	CAM	122.7°	119.7°
CAK	CAJ	CAM	118.4°	119.7°
CAJ	CAM	CAL	120.1°	119.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAA	CAJ	CAK	IAC	1.0°	0.0°
OAA	CAJ	CAK	CAG	179.5°	180.0°
OAA	CAJ	CAM	NAH	0.3°	0.0°
OAA	CAJ	CAK	CAM	179.9°	179.9°
OAA	CAJ	CAM	CAL	179.8°	180.0°
CLAB	CAI	CAL	CAF	0.4°	0.1°
CLAB	CAI	CAG	CAL	179.9°	179.9°
CLAB	CAI	CAG	CAK	179.6°	180.0°
CLAB	CAI	CAL	CAM	179.9°	180.0°
CLAB	CAI	CAG	HAG	0.4°	0.1°
IAC	CAK	CAG	CAI	178.9°	180.0°
IAC	CAK	CAG	CAJ	179.5°	180.0°
IAC	CAK	CAJ	CAM	179.1°	180.0°
IAC	CAK	CAG	HAG	1.1°	0.0°
CAE	CAD	CAF	HAD	180.0°	179.8°
CAD	CAE	NAH	HAE	180.0°	179.9°
CAE	CAD	CAF	CAL	0.1°	0.0°
CAD	CAE	NAH	CAM	1.0°	0.1°
CAE	CAD	CAF	HAF	179.9°	179.9°
CAF	CAD	CAE	NAH	0.9°	0.0°
CAD	CAF	CAL	HAF	180.0°	179.9°
CAD	CAF	CAL	CAI	179.8°	180.0°
CAD	CAF	CAL	CAM	0.5°	0.0°
CAF	CAD	CAE	HAE	179.2°	179.9°
CAE	NAH	CAM	CAJ	179.5°	179.9°
CAE	NAH	CAM	CAL	0.4°	0.0°
NAH	CAE	CAD	HAD	179.1°	179.7°
CAF	CAL	CAI	CAG	179.6°	180.0°
CAF	CAL	CAM	NAH	0.3°	0.0°
CAF	CAL	CAI	CAM	179.7°	180.0°
CAF	CAL	CAM	CAJ	179.8°	180.0°
CAL	CAF	CAD	HAD	179.9°	179.8°
CAI	CAG	CAK	HAG	180.0°	179.9°
CAI	CAG	CAK	CAJ	0.6°	0.1°
CAG	CAI	CAL	CAM	0.0°	0.0°
CAK	CAG	CAI	CAL	0.3°	0.1°
CAG	CAK	CAJ	CAM	0.4°	0.0°
NAH	CAM	CAL	CAI	180.0°	180.0°
NAH	CAM	CAJ	CAK	179.8°	180.0°
NAH	CAM	CAJ	CAL	179.9°	180.0°
CAM	NAH	CAE	HAE	179.0°	180.0°
CAI	CAL	CAM	CAJ	0.1°	0.0°
CAI	CAL	CAF	HAF	0.1°	0.1°
CAL	CAI	CAG	HAG	179.7°	180.0°
CAK	CAJ	CAM	CAL	0.1°	0.0°
CAK	CAJ	OAA	HOAA	180.0°	90.0°
CAJ	CAK	CAG	HAG	179.4°	180.0°
CAM	CAJ	OAA	HOAA	0.1°	90.1°
CAM	CAL	CAF	HAF	179.5°	180.0°
HAD	CAD	CAE	HAE	0.8°	0.2°
HAD	CAD	CAF	HAF	0.1°	0.3°

219140

PDB entries from 2024-05-01

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