Dipole moment for 1sj1: THE 1.5 A RESOLUTION CRYSTAL STRUCTURE OF [FE3S4]- FERREDOXIN FROM THE HYPERTHERMOPHILIC ARCHAE

show whole-molecule ChainID = ASpherical THE 1.5 A RESOLUTION CRYSTAL STRUCTURE OF [FE3S4]- FERREDOXIN FROM THE HYPERTHERMOPHI
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 544. 66. 85.88 4. 16.-12. 46. 372.-0.0221 0.0852
No.Dev.Units -1.04 -1.07 -1.17 -1.23 -0.60 -1.14 -1.19 -0.62 -3.62 -1.01
Dipole vector (in atomic units): -5.86 0.05 7.66
Mass Moments vector: 142.15 152.19 151.71
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show whole-molecule ChainID = BSpherical THE 1.5 A RESOLUTION CRYSTAL STRUCTURE OF [FE3S4]- FERREDOXIN FROM THE HYPERTHERMOPHI
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 553. 66. 86.96 4. 16.-12. 83. 570.-0.0217 0.1493
No.Dev.Units -1.03 -1.07 -1.16 -1.23 -0.60 -1.14 -1.10 -0.57 -3.56 -0.78
Dipole vector (in atomic units): 0.22 2.98 -16.93
Mass Moments vector: 165.65 153.06 131.11
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