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Summary Geometry PCM/PTM Related PDB entries

3TM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	FE3	sing	2.28Å	2.33Å
S1	FE4	sing	2.28Å	2.35Å
S2	FE1	sing	2.34Å	2.34Å
S2	FE3	sing	2.27Å	2.33Å
S2	FE4	sing	2.27Å	2.30Å
S3	FE2	sing	2.33Å	2.33Å
S3	FE4	sing	2.28Å	2.30Å
S4	FE1	sing	2.34Å	2.36Å
S4	FE3	sing	2.28Å	2.26Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FE3	S1	FE4	71.8°	70.6°
S1	FE3	S2	107.5°	109.2°
S1	FE3	S4	113.6°	109.5°
S1	FE4	S2	108.0°	109.1°
S1	FE4	S3	109.4°	109.5°
FE1	S2	FE3	70.1°	74.5°
FE1	S2	FE4	100.2°	103.2°
S2	FE1	S4	106.1°	102.6°
FE3	S2	FE4	72.7°	71.0°
S2	FE3	S4	109.6°	107.2°
S2	FE4	S3	123.4°	109.5°
FE2	S3	FE4	90.3°	107.2°
FE1	S4	FE3	71.0°	74.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	FE3	S2	FE1	109.7°	109.3°
S1	FE3	S2	S4	123.9°	118.5°
FE3	S1	FE4	S2	1.6°	1.0°
FE3	S1	FE4	S3	135.1°	120.9°
S1	FE3	S4	FE1	106.2°	109.1°
S1	FE4	S2	FE1	66.9°	67.2°
S1	FE4	S2	S3	129.2°	119.8°
S1	FE4	S3	FE2	93.2°	83.9°
FE4	S1	FE3	S4	119.8°	118.1°
FE1	S2	FE3	FE4	108.0°	110.3°
FE1	S2	FE4	S3	62.3°	52.6°
FE1	S2	FE3	S4	14.2°	9.3°
FE3	S2	FE4	S3	127.6°	120.9°
S2	FE4	S3	FE2	35.4°	35.7°
FE4	S2	FE1	S4	80.6°	74.5°
FE4	S2	FE3	S4	122.2°	119.6°

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