Dipole moment for 1leg: CRYSTAL STRUCTURE OF H-2KB BOUND TO THE DEV8 PEPTIDE

show whole-molecule	ChainID = A	Elongated		CRYSTAL STRUCTURE OF H-2KB BOUND TO THE DEV8 PEPTIDE
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2226.	273.	364.90	32.	40.	-8.	450.	830.	-0.0036	0.2021
No.Dev.Units	0.39	0.32	0.68	0.44	0.61	-0.62	-0.22	-0.49	-0.38	-0.59

Dipole vector (in atomic units): -49.87 73.27 30.30

Mass Moments vector: 557.14 798.88 499.75

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show whole-molecule	ChainID = B	Elongated		CRYSTAL STRUCTURE OF H-2KB BOUND TO THE DEV8 PEPTIDE
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	821.	99.	135.51	12.	12.	0.	245.	1517.	0.0000	0.2980
No.Dev.Units	-0.81	-0.84	-0.84	-0.76	-0.81	0.43	-0.71	-0.28	0.25	-0.25

Dipole vector (in atomic units): -23.82 40.32 -20.03

Mass Moments vector: 182.84 200.46 302.76

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show whole-molecule	ChainID = P	Elongated		CRYSTAL STRUCTURE OF H-2KB BOUND TO THE DEV8 PEPTIDE
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	76.	8.	21.22	1.	-0.	0.	76.	182.	0.0000	0.9992
No.Dev.Units	-1.44	-1.45	-1.60	-1.41	-1.42	0.43	-1.12	-0.68	0.25	2.23

Dipole vector (in atomic units): 5.42 0.91 14.82

Mass Moments vector: 31.57 24.91 49.35

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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