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Summary Geometry Related PDB entries

8JU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S2	FE2	sing	0.00Å	2.35Å
S2	FE3	sing	0.00Å	2.26Å
S2	FE1	sing	0.00Å	2.29Å
FE2	S3	sing	0.00Å	2.17Å
FE2	O	sing	0.00Å	1.89Å
FE3	S3	sing	0.00Å	2.26Å
FE3	S4	sing	0.00Å	2.22Å
FE1	S4	sing	0.00Å	2.21Å
FE1	S1	sing	0.00Å	2.23Å
S1	FE4	sing	0.00Å	1.94Å
FE4	O	sing	0.00Å	1.78Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FE2	S2	FE3	67.8°	90.0°
FE2	S2	FE1	86.7°	90.0°
S2	FE2	S3	109.9°	90.0°
S2	FE2	O	123.9°	90.0°
FE3	S2	FE1	66.7°	90.0°
S2	FE3	S3	110.0°	90.0°
S2	FE3	S4	110.0°	90.0°
S2	FE1	S4	109.2°	90.0°
S2	FE1	S1	125.3°	90.0°
S3	FE2	O	97.3°	90.0°
FE2	S3	FE3	71.0°	90.0°
FE2	O	FE4	124.2°	90.0°
S3	FE3	S4	111.2°	90.0°
FE3	S4	FE1	68.7°	90.0°
S4	FE1	S1	108.4°	90.0°
FE1	S1	FE4	106.1°	90.0°
S1	FE4	O	107.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
FE2	S2	FE3	FE1	96.2°	90.0°
S2	FE2	S3	O	130.1°	90.0°
FE2	S2	FE3	S3	8.7°	90.0°
FE2	S2	FE3	S4	114.1°	90.0°
FE2	S2	FE1	S4	85.1°	90.0°
FE2	S2	FE1	S1	45.9°	90.0°
S2	FE2	O	FE4	56.0°	90.0°
FE3	S2	FE2	O	104.8°	90.0°
S2	FE3	S3	S4	122.1°	90.0°
FE3	S2	FE1	S4	17.9°	90.0°
FE3	S2	FE1	S1	113.2°	90.0°
FE1	S2	FE2	S3	75.3°	90.0°
FE1	S2	FE2	O	38.6°	90.0°
FE1	S2	FE3	S3	105.0°	90.0°
S2	FE1	S4	S1	139.6°	90.0°
S2	FE1	S1	FE4	62.3°	90.0°
FE2	S3	FE3	S4	112.8°	90.0°
S3	FE2	O	FE4	63.9°	90.0°
O	FE2	S3	FE3	121.2°	90.0°
FE2	O	FE4	S1	59.7°	90.0°
S3	FE3	S4	FE1	103.9°	90.0°
FE3	S4	FE1	S1	121.7°	90.0°
S4	FE1	S1	FE4	69.1°	90.0°
FE1	S1	FE4	O	54.3°	90.0°

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