Dipole moment for 5mr5: LIGAND-RECEPTOR COMPLEX.

show whole-molecule ChainID = AProlate LIGAND-RECEPTOR COMPLEX.
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 789. 98. 185.23 18. 14. 4. 1464. 2704. 0.0051 1.8552
No.Dev.Units -0.83 -0.85 -0.51 -0.40 -0.71 0.95 2.20 0.07 1.14 5.26
Dipole vector (in atomic units): 102.17 215.57 189.66
Mass Moments vector: 160.44 414.66 333.35
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show whole-molecule ChainID = BElongated LIGAND-RECEPTOR COMPLEX.
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 789. 98. 184.36 18. 14. 4. 1445. 1092. 0.0051 1.8311
No.Dev.Units -0.83 -0.85 -0.51 -0.40 -0.71 0.95 2.16 -0.41 1.14 5.17
Dipole vector (in atomic units): 156.08 -213.65 -143.08
Mass Moments vector: 220.67 410.19 298.23
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show whole-molecule ChainID = CSpherical LIGAND-RECEPTOR COMPLEX.
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1565. 198. 218.54 27. 23. 4. 729. 1056. 0.0026 0.4659
No.Dev.Units -0.17 -0.18 -0.29 0.14 -0.25 0.95 0.45 -0.42 0.69 0.34
Dipole vector (in atomic units): 15.33 114.08 98.96
Mass Moments vector: 364.68 364.95 404.54
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show whole-molecule ChainID = DSpherical LIGAND-RECEPTOR COMPLEX.
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 1583. 198. 219.96 27. 23. 4. 652. 1201. 0.0025 0.4117
No.Dev.Units -0.16 -0.18 -0.28 0.14 -0.25 0.95 0.26 -0.38 0.69 0.15
Dipole vector (in atomic units): 41.85 -102.50 -78.43
Mass Moments vector: 379.19 361.42 401.29
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Bioinformatics and Biological Computing
Weizmann Institute of Science