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Summary Geometry PCM/PTM Related PDB entries

VV2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S4	FE5	sing	2.23Å	2.38Å
S2	FE2	sing	2.30Å	1.96Å
S3	FE5	sing	2.23Å	2.36Å
S2	FE3	sing	2.34Å	2.51Å
S3	FE3	sing	2.36Å	4.23Å
FE3	S4	sing	2.33Å	2.48Å
FE2	S3	sing	2.30Å	2.50Å
S2	FE4	sing	2.33Å	2.61Å
S2	FE5	sing	2.37Å	4.84Å
S4	FE4	sing	2.34Å	2.50Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S4	FE5	S3	90.5°	84.2°
FE5	S4	FE3	113.5°	64.9°
S4	FE5	S2	49.9°	102.1°
FE5	S4	FE4	71.3°	70.0°
FE2	S2	FE3	61.7°	69.2°
S2	FE2	S3	109.2°	101.0°
FE2	S2	FE4	57.5°	129.2°
FE2	S2	FE5	34.1°	68.8°
FE5	S3	FE3	69.8°	64.5°
FE5	S3	FE2	89.1°	71.1°
S3	FE5	S2	46.4°	100.8°
S2	FE3	S3	59.1°	98.0°
S2	FE3	S4	98.6°	99.9°
FE3	S2	FE4	80.1°	68.3°
FE3	S2	FE5	57.0°	62.8°
S3	FE3	S4	52.8°	79.3°
FE3	S3	FE2	28.0°	68.9°
FE3	S4	FE4	82.9°	68.4°
FE4	S2	FE5	28.8°	67.8°
S2	FE4	S4	95.4°	100.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S4	FE5	S2	FE2	132.4°	118.7°
S4	FE5	S3	S2	26.4°	101.3°
FE5	S4	FE3	S2	79.8°	41.3°
FE5	S4	FE3	S3	39.8°	55.0°
FE5	S4	FE3	FE4	66.0°	77.3°
S4	FE5	S3	FE2	52.3°	133.1°
FE5	S4	FE4	S2	130.9°	33.9°
FE2	S2	FE5	S3	83.1°	32.4°
FE2	S2	FE3	FE4	58.3°	151.5°
FE2	S2	FE3	FE5	39.6°	76.1°
FE2	S2	FE3	S3	34.9°	35.0°
FE2	S2	FE3	S4	71.5°	115.5°
FE2	S2	FE4	FE5	28.6°	33.2°
FE2	S2	FE4	S4	75.7°	0.9°
FE5	S3	FE3	S2	171.5°	43.3°
FE5	S3	FE3	FE2	131.1°	78.4°
S3	FE5	S2	FE4	50.9°	120.5°
S3	FE5	S4	FE4	7.1°	133.5°
S2	FE3	S3	S4	132.2°	98.6°
FE3	S2	FE4	FE5	34.0°	68.3°
FE3	S2	FE4	S4	13.1°	36.0°
S3	FE3	S2	FE4	23.3°	116.5°
S3	FE3	S4	FE4	26.2°	132.3°
S4	FE3	S3	FE2	170.4°	133.7°
S3	FE2	S2	FE4	21.7°	1.6°

258009

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