Dipole moment for 1rhu: CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5, PEPTIDOMIMETIC INHIBITOR

show whole-molecule	ChainID = A	Spherical		CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5, PEPTIDOMIMETIC INHIBITOR
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	1113.	140.	180.69	22.	20.	1.	736.	5271.	0.0009	0.6616
No.Dev.Units	-0.56	-0.57	-0.54	-0.16	-0.40	0.56	0.46	0.84	0.40	1.03

Dipole vector (in atomic units): -149.66 25.42 -21.51

Mass Moments vector: 325.95 275.96 333.82

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show whole-molecule	ChainID = B	Spherical		CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5, PEPTIDOMIMETIC INHIBITOR
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	757.	91.	143.03	10.	9.	2.	51.	1571.	0.0026	0.0668
No.Dev.Units	-0.86	-0.90	-0.79	-0.88	-0.96	0.69	-1.18	-0.27	0.71	-1.07

Dipole vector (in atomic units): 1.71 1.46 -10.29

Mass Moments vector: 248.71 256.59 237.53

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Bioinformatics and Biological Computing
Weizmann Institute of Science