Dipole moment for 5mco: CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE 8234 AND EXOSITE PEPTIDE

show whole-molecule	ChainID = A	Elongated		CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE 8234 AND EXOSITE PEPTIDE
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	3005.	383.	382.22	33.	42.	-9.	547.	2209.	-0.0030	0.1822
No.Dev.Units	1.05	1.06	0.80	0.50	0.71	-0.75	0.01	-0.07	-0.28	-0.66

Dipole vector (in atomic units): 109.39 29.89 -11.53

Mass Moments vector: 838.20 599.67 502.66

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show whole-molecule	ChainID = B	Elongated		CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE 8234 AND EXOSITE PEPTIDE
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	78.	9.	22.21	0.	-0.	0.	115.	155.	0.0000	1.4730
No.Dev.Units	-1.44	-1.45	-1.59	-1.47	-1.42	0.43	-1.02	-0.69	0.25	3.91

Dipole vector (in atomic units): -19.07 -5.88 -13.19

Mass Moments vector: 47.15 23.90 40.56

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Graphic Dipole© by Clifford Felder, Joel Sussman and Jaime Prilusky, 2006,2009,2011,2014,2018,2021
Bioinformatics and Biological Computing
Weizmann Institute of Science