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

show whole-molecule ChainID = AElongated CRYSTAL STRUCTURE OF THE PROTEIN DISULFIDE BOND ISOMERA DSBC, FROM ESCHERICHIA COLI
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./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 = BElongated CRYSTAL STRUCTURE OF THE PROTEIN DISULFIDE BOND ISOMERA DSBC, FROM ESCHERICHIA COLI
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./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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