Dipole moment for 1qmz: PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX

show whole-molecule	ChainID = A	Elongated		PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2377.	296.	325.91	36.	33.	3.	180.	2796.	0.0013	0.0759
No.Dev.Units	0.52	0.48	0.43	0.68	0.26	0.82	-0.87	0.10	0.47	-1.04

Dipole vector (in atomic units): -23.56 14.89 25.18

Mass Moments vector: 477.48 675.87 520.74

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show whole-molecule	ChainID = B	Elongated		PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2083.	258.	278.42	26.	29.	-3.	681.	4013.	-0.0014	0.3271
No.Dev.Units	0.27	0.22	0.11	0.08	0.05	0.03	0.33	0.47	-0.01	-0.15

Dipole vector (in atomic units): -45.42 134.29 4.97

Mass Moments vector: 593.56 418.86 412.20

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show whole-molecule	ChainID = C	Elongated		PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2377.	296.	325.76	36.	33.	3.	179.	2841.	0.0013	0.0751
No.Dev.Units	0.52	0.48	0.42	0.68	0.26	0.82	-0.87	0.11	0.47	-1.04

Dipole vector (in atomic units): -21.05 -15.99 -26.14

Mass Moments vector: 476.23 675.91 520.98

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show whole-molecule	ChainID = D	Elongated		PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	2083.	258.	278.46	26.	29.	-3.	676.	4020.	-0.0014	0.3247
No.Dev.Units	0.27	0.22	0.11	0.08	0.05	0.03	0.32	0.47	-0.01	-0.16

Dipole vector (in atomic units): -45.07 -133.32 -4.46

Mass Moments vector: 592.82 420.26 412.07

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show whole-molecule	ChainID = E	Elongated		PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	58.	7.	19.85	2.	-0.	2.	16.	227.	0.0345	0.2774
No.Dev.Units	-1.46	-1.46	-1.61	-1.35	-1.42	0.69	-1.26	-0.67	6.30	-0.33

Dipole vector (in atomic units): 0.87 -3.13 -0.82

Mass Moments vector: 18.58 17.55 53.79

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show whole-molecule	ChainID = F	Elongated		PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	58.	7.	19.88	2.	-0.	2.	15.	230.	0.0345	0.2635
No.Dev.Units	-1.46	-1.46	-1.61	-1.35	-1.42	0.69	-1.26	-0.67	6.30	-0.37

Dipole vector (in atomic units): 0.97 2.93 0.76

Mass Moments vector: 18.58 17.44 53.91

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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