Dipole moment for 1yyl: CRYSTAL STRUCTURE OF CD4M33, A SCORPION-TOXIN MIMIC OF WITH HIV-1 YU2 GP120 ENVELOPE GLYCOPROTEIN A

show whole-molecule	ChainID = G	Spherical		CRYSTAL STRUCTURE OF CD4M33, A SCORPION-TOXIN MIMIC OF WITH HIV-1 YU2 GP120 ENVELOPE GLYC
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2341.	301.	333.49	29.	28.	-0.	546.	3271.	-0.0000	0.2333
No.Dev.Units	0.49	0.51	0.48	0.26	0.00	0.43	0.01	0.24	0.25	-0.48

Dipole vector (in atomic units): -103.91 36.60 -28.22

Mass Moments vector: 621.53 507.93 597.20

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show whole-molecule	ChainID = L	Elongated		CRYSTAL STRUCTURE OF CD4M33, A SCORPION-TOXIN MIMIC OF WITH HIV-1 YU2 GP120 ENVELOPE GLYC
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	1647.	213.	309.52	20.	18.	1.	116.	1100.	0.0006	0.0704
No.Dev.Units	-0.10	-0.08	0.32	-0.28	-0.50	0.56	-1.02	-0.41	0.35	-1.06

Dipole vector (in atomic units): -14.38 7.72 17.80

Mass Moments vector: 425.07 289.62 773.07

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show whole-molecule	ChainID = H	Prolate		CRYSTAL STRUCTURE OF CD4M33, A SCORPION-TOXIN MIMIC OF WITH HIV-1 YU2 GP120 ENVELOPE GLYC
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	1722.	228.	319.82	20.	19.	-0.	1138.	4970.	-0.0000	0.6607
No.Dev.Units	-0.04	0.02	0.38	-0.28	-0.45	0.43	1.42	0.75	0.25	1.03

Dipole vector (in atomic units): -75.91 27.33 -222.70

Mass Moments vector: 643.18 263.99 661.23

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show whole-molecule	ChainID = M	Elongated		CRYSTAL STRUCTURE OF CD4M33, A SCORPION-TOXIN MIMIC OF WITH HIV-1 YU2 GP120 ENVELOPE GLYC
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	171.	24.	34.27	3.	-0.	3.	108.	116.	0.0175	0.6331
No.Dev.Units	-1.36	-1.35	-1.51	-1.29	-1.42	0.82	-1.04	-0.70	3.32	0.93

Dipole vector (in atomic units): 12.47 -13.29 -13.27

Mass Moments vector: 44.41 70.51 60.22

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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