Dipole moment for 1hgc: HIGH RESOLUTION CRYSTAL STRUCTURES AND COMPARISONS OF T DEOXYHAEMOGLOBIN AND TWO LIGANDED T-STATE HA

show whole-molecule ChainID = ASpherical HIGH RESOLUTION CRYSTAL STRUCTURES AND COMPARISONS OF T DEOXYHAEMOGLOBIN AND TWO LIGANDED
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1069. 141. 158.64 14. 12. 2. 159. 933. 0.0019 0.1490
No.Dev.Units -0.59 -0.56 -0.69 -0.64 -0.81 0.69 -0.92 -0.46 0.57 -0.78
Dipole vector (in atomic units): 12.04 -20.60 23.03
Mass Moments vector: 240.91 258.31 318.96
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show whole-molecule ChainID = BSpherical HIGH RESOLUTION CRYSTAL STRUCTURES AND COMPARISONS OF T DEOXYHAEMOGLOBIN AND TWO LIGANDED
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1123. 146. 168.38 14. 15. -1. 246. 373.-0.0009 0.2187
No.Dev.Units -0.55 -0.53 -0.62 -0.64 -0.66 0.30 -0.71 -0.62 0.09 -0.53
Dipole vector (in atomic units): -3.63 50.14 9.43
Mass Moments vector: 249.70 348.26 267.46
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show whole-molecule ChainID = CElongated HIGH RESOLUTION CRYSTAL STRUCTURES AND COMPARISONS OF T DEOXYHAEMOGLOBIN AND TWO LIGANDED
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1069. 141. 158.49 14. 12. 2. 140. 751. 0.0019 0.1308
No.Dev.Units -0.59 -0.56 -0.69 -0.64 -0.81 0.69 -0.96 -0.51 0.57 -0.84
Dipole vector (in atomic units): 9.87 15.88 -22.33
Mass Moments vector: 301.30 210.32 301.77
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show whole-molecule ChainID = DElongated HIGH RESOLUTION CRYSTAL STRUCTURES AND COMPARISONS OF T DEOXYHAEMOGLOBIN AND TWO LIGANDED
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1123. 146. 168.02 14. 15. -1. 249. 397.-0.0009 0.2220
No.Dev.Units -0.55 -0.53 -0.62 -0.64 -0.66 0.30 -0.70 -0.62 0.09 -0.52
Dipole vector (in atomic units): -33.81 -39.24 -3.28
Mass Moments vector: 331.22 315.04 212.41
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