Dipole moment for 1eej: CRYSTAL STRUCTURE OF THE PROTEIN DISULFIDE BOND ISOMERA DSBC, FROM ESCHERICHIA COLI

show whole-molecule	ChainID = A	Elongated		CRYSTAL STRUCTURE OF THE PROTEIN DISULFIDE BOND ISOMERA DSBC, FROM ESCHERICHIA COLI
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	1640.	216.	253.20	22.	25.	-4.	246.	864.	-0.0024	0.1497
No.Dev.Units	-0.11	-0.06	-0.06	-0.16	-0.15	-0.10	-0.71	-0.48	-0.18	-0.78

Dipole vector (in atomic units): -37.32 -8.48 -33.90

Mass Moments vector: 378.20 377.00 540.21

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show whole-molecule	ChainID = B	Elongated		CRYSTAL STRUCTURE OF THE PROTEIN DISULFIDE BOND ISOMERA DSBC, FROM ESCHERICHIA COLI
	No.Atoms	No.Res.	R_M	Pos.Res.	Neg.Res.	Charge	Dipole	Quadrapole	Crg./Nat.	Dip./Nat.
Value	1640.	216.	256.88	22.	25.	-4.	215.	918.	-0.0024	0.1311
No.Dev.Units	-0.11	-0.06	-0.03	-0.16	-0.15	-0.10	-0.78	-0.46	-0.18	-0.84

Dipole vector (in atomic units): -23.75 15.20 -34.78

Mass Moments vector: 549.14 390.56 373.89

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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