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Summary Geometry Related PDB entries

2UB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	CAB	sing	1.74Å	1.72Å
CAA	CAB	doub	1.39Å	1.40Å	Aromatic
CAA	CAF	sing	1.38Å	1.39Å	Aromatic
CAB	CAC	sing	1.39Å	1.39Å	Aromatic
CAF	CAE	doub	1.40Å	1.39Å	Aromatic
CAC	CAD	doub	1.38Å	1.38Å	Aromatic
CAE	CAD	sing	1.40Å	1.39Å	Aromatic
CAE	CAG	sing	1.47Å	1.38Å
CAG	CAI	doub	1.35Å	1.53Å
OAL	CAJ	doub	1.22Å	1.24Å
CAI	CAJ	sing	1.47Å	1.53Å
CAI	SAK	sing	1.76Å	1.57Å
CAJ	OAM	sing	1.35Å	1.25Å
OAM	H1	sing	0.97Å	0.95Å
CAG	H2	sing	1.08Å	1.08Å
CAD	H4	sing	1.08Å	1.08Å
CAC	H5	sing	1.08Å	1.08Å
CAA	H6	sing	1.08Å	1.08Å
CAF	H7	sing	1.08Å	1.08Å
SAK	H8	sing	1.35Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	CAB	CAA	121.4°	119.8°
CL	CAB	CAC	118.0°	119.9°
CAB	CAA	CAF	119.9°	120.2°
CAA	CAB	CAC	120.6°	120.3°
CAB	CAA	H6	120.1°	119.9°
CAA	CAF	CAE	119.3°	119.8°
CAF	CAA	H6	120.1°	119.9°
CAA	CAF	H7	120.4°	120.1°
CAB	CAC	CAD	119.3°	120.2°
CAB	CAC	H5	120.3°	119.9°
CAF	CAE	CAD	120.3°	119.7°
CAF	CAE	CAG	120.4°	120.1°
CAE	CAF	H7	120.3°	120.1°
CAC	CAD	CAE	120.5°	119.8°
CAC	CAD	H4	119.7°	120.1°
CAD	CAC	H5	120.3°	119.9°
CAD	CAE	CAG	119.3°	120.2°
CAE	CAD	H4	119.7°	120.1°
CAE	CAG	CAI	121.2°	120.1°
CAE	CAG	H2	119.4°	120.0°
CAG	CAI	CAJ	125.2°	120.0°
CAG	CAI	SAK	117.3°	120.0°
CAI	CAG	H2	119.4°	120.0°
OAL	CAJ	CAI	121.2°	120.0°
OAL	CAJ	OAM	118.5°	120.0°
CAJ	CAI	SAK	117.5°	120.0°
CAI	CAJ	OAM	120.3°	120.0°
CAI	SAK	H8	102.0°	103.0°
CAJ	OAM	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	CAB	CAA	CAC	178.7°	180.0°
CL	CAB	CAA	CAF	179.4°	179.7°
CL	CAB	CAC	CAD	179.7°	180.0°
CL	CAB	CAC	H5	0.3°	0.0°
CL	CAB	CAA	H6	0.5°	0.0°
CAB	CAA	CAF	H6	180.0°	179.7°
CAB	CAA	CAF	CAE	0.3°	0.6°
CAA	CAB	CAC	CAD	1.0°	0.0°
CAA	CAB	CAC	H5	179.0°	180.0°
CAB	CAA	CAF	H7	179.7°	180.0°
CAF	CAA	CAB	CAC	0.8°	0.3°
CAA	CAF	CAE	H7	180.0°	179.4°
CAA	CAF	CAE	CAD	0.1°	0.6°
CAA	CAF	CAE	CAG	180.0°	179.7°
CAB	CAC	CAD	H5	180.0°	180.0°
CAB	CAC	CAD	CAE	0.8°	0.0°
CAB	CAC	CAD	H4	179.3°	180.0°
CAC	CAB	CAA	H6	179.2°	180.0°
CAF	CAE	CAD	CAC	0.3°	0.2°
CAF	CAE	CAD	CAG	179.8°	179.8°
CAF	CAE	CAG	CAI	121.0°	44.3°
CAF	CAE	CAG	H2	59.0°	135.8°
CAF	CAE	CAD	H4	179.7°	179.7°
CAE	CAF	CAA	H6	179.7°	179.7°
CAC	CAD	CAE	H4	180.0°	180.0°
CAC	CAD	CAE	CAG	179.8°	180.0°
CAD	CAE	CAG	CAI	59.2°	136.0°
CAD	CAE	CAG	H2	120.8°	44.0°
CAE	CAD	CAC	H5	179.2°	180.0°
CAD	CAE	CAF	H7	179.9°	180.0°
CAE	CAG	CAI	H2	180.0°	179.9°
CAE	CAG	CAI	CAJ	1.3°	10.8°
CAE	CAG	CAI	SAK	179.6°	169.2°
CAG	CAE	CAD	H4	0.2°	0.0°
CAG	CAE	CAF	H7	0.0°	0.3°
CAG	CAI	CAJ	OAL	1.2°	6.9°
CAG	CAI	CAJ	SAK	179.0°	180.0°
CAG	CAI	CAJ	OAM	178.5°	172.7°
CAG	CAI	SAK	H8	180.0°	0.0°
OAL	CAJ	CAI	OAM	179.7°	179.7°
OAL	CAJ	CAI	SAK	179.8°	173.1°
OAL	CAJ	OAM	H1	0.0°	0.1°
CAI	CAJ	OAM	H1	179.7°	179.7°
CAJ	CAI	CAG	H2	178.7°	169.1°
CAJ	CAI	SAK	H8	0.9°	180.0°
SAK	CAI	CAJ	OAM	0.6°	7.3°
SAK	CAI	CAG	H2	0.3°	10.9°
H4	CAD	CAC	H5	0.7°	0.0°
H6	CAA	CAF	H7	0.4°	0.3°

222415

PDB entries from 2024-07-10

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