Dipole moment for 1lek: CRYSTAL STRUCTURE OF H-2KBM3 BOUND TO DEV8

show whole-molecule	ChainID = A	Elongated		CRYSTAL STRUCTURE OF H-2KBM3 BOUND TO DEV8
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2220.	273.	364.31	31.	39.	-8.	462.	1129.	-0.0036	0.2081
No.Dev.Units	0.39	0.32	0.68	0.38	0.56	-0.62	-0.19	-0.40	-0.39	-0.57

Dipole vector (in atomic units): -36.23 84.67 27.67

Mass Moments vector: 556.22 795.82 501.79

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show whole-molecule	ChainID = B	Elongated		CRYSTAL STRUCTURE OF H-2KBM3 BOUND TO DEV8
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	821.	99.	135.85	12.	12.	0.	262.	1830.	0.0000	0.3193
No.Dev.Units	-0.81	-0.84	-0.84	-0.76	-0.81	0.43	-0.67	-0.19	0.25	-0.18

Dipole vector (in atomic units): -33.82 38.48 -18.83

Mass Moments vector: 187.25 200.17 301.59

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show whole-molecule	ChainID = P	Elongated		CRYSTAL STRUCTURE OF H-2KBM3 BOUND TO DEV8
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	76.	8.	22.32	1.	-0.	0.	83.	198.	0.0000	1.0969
No.Dev.Units	-1.44	-1.45	-1.59	-1.41	-1.42	0.43	-1.10	-0.68	0.25	2.58

Dipole vector (in atomic units): 7.15 3.33 15.46

Mass Moments vector: 34.87 23.78 51.97

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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