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Summary Geometry PCM/PTM Related PDB entries

SFS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
SE4	FE1	sing	2.45Å	2.15Å
SE4	FE3	sing	2.45Å	2.14Å
SE4	FE2	sing	2.45Å	2.13Å
FE1	SE3	sing	2.43Å	2.12Å
FE1	SE2	sing	2.43Å	2.12Å
FE3	SE2	sing	2.43Å	2.17Å
FE3	SE1	sing	2.43Å	2.13Å
FE2	SE3	sing	2.43Å	2.16Å
FE2	SE1	sing	2.42Å	2.13Å
SE3	FE4	sing	2.46Å	2.13Å
FE4	SE2	sing	2.46Å	2.13Å
FE4	SE1	sing	2.46Å	2.15Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FE1	SE4	FE3	89.2°	67.5°
FE1	SE4	FE2	89.4°	67.5°
SE4	FE1	SE3	90.8°	109.5°
SE4	FE1	SE2	91.3°	109.5°
FE3	SE4	FE2	89.7°	67.5°
SE4	FE3	SE2	90.2°	109.5°
SE4	FE3	SE1	90.1°	109.5°
SE4	FE2	SE3	90.5°	109.5°
SE4	FE2	SE1	90.4°	109.5°
SE3	FE1	SE2	92.0°	100.8°
FE1	SE3	FE2	89.3°	68.3°
FE1	SE3	FE4	88.3°	78.1°
FE1	SE2	FE3	89.3°	68.3°
FE1	SE2	FE4	88.4°	78.1°
SE2	FE3	SE1	89.9°	100.8°
FE3	SE2	FE4	89.6°	78.0°
FE3	SE1	FE2	89.8°	68.3°
FE3	SE1	FE4	90.1°	78.0°
SE3	FE2	SE1	90.4°	100.8°
FE2	SE3	FE4	89.4°	78.0°
FE2	SE1	FE4	89.6°	78.1°
SE3	FE4	SE2	91.3°	99.0°
SE3	FE4	SE1	90.6°	98.9°
SE2	FE4	SE1	90.4°	99.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
FE1	SE4	FE3	FE2	89.4°	74.0°
SE4	FE1	SE3	SE2	91.3°	115.3°
FE1	SE4	FE3	SE2	0.8°	17.8°
FE1	SE4	FE3	SE1	89.1°	91.8°
FE1	SE4	FE2	SE3	1.4°	17.9°
FE1	SE4	FE2	SE1	89.0°	91.8°
SE4	FE1	SE3	FE4	90.9°	99.7°
SE4	FE1	SE2	FE4	90.4°	99.7°
FE3	SE4	FE1	SE3	91.2°	91.8°
SE4	FE3	SE2	SE1	90.1°	115.3°
FE3	SE4	FE2	SE3	90.6°	91.8°
FE3	SE4	FE2	SE1	0.2°	17.9°
SE4	FE3	SE2	FE4	89.2°	99.7°
SE4	FE3	SE1	FE4	89.4°	99.7°
FE2	SE4	FE1	SE2	90.5°	91.7°
FE2	SE4	FE3	SE2	90.2°	91.8°
SE4	FE2	SE3	SE1	90.4°	115.3°
SE4	FE2	SE3	FE4	89.8°	99.7°
SE4	FE2	SE1	FE4	89.9°	99.7°
SE3	FE1	SE2	FE3	90.0°	97.4°
FE1	SE3	FE2	FE4	88.3°	81.8°
FE1	SE3	FE2	SE1	88.9°	97.4°
SE3	FE1	SE2	FE4	0.5°	15.6°
FE1	SE3	FE4	SE1	89.9°	85.3°
FE1	SE2	FE3	FE4	88.4°	81.8°
FE1	SE2	FE3	SE1	89.3°	97.4°
SE2	FE1	SE3	FE2	89.9°	97.4°
FE1	SE2	FE4	SE1	90.1°	85.3°
SE2	FE3	SE1	FE2	90.5°	97.4°
FE3	SE2	FE4	SE3	89.7°	85.3°
SE2	FE3	SE1	FE4	0.9°	15.6°
FE3	SE1	FE2	SE3	90.7°	97.4°
FE3	SE1	FE2	FE4	90.1°	81.7°
FE3	SE1	FE4	SE3	90.4°	85.3°
FE2	SE3	FE4	SE2	89.8°	85.3°
SE3	FE2	SE1	FE4	0.6°	15.6°
FE2	SE1	FE4	SE2	90.7°	85.3°
SE3	FE4	SE2	SE1	90.6°	100.6°

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