Dipole moment for 5a91: 15K X-RAY LIGAND FREE: EXPLORING THE MECHANISM OF BETA- PROTONATION IN THE CLASS A BETA-LACTAMASE AC

No. of Chains=1Elongated 15K X-RAY LIGAND FREE: EXPLORING THE MECHANISM OF BETA- PROTONATION IN THE CLASS A BETA-LA
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 2542. 260. 291.98 27. 26. 1. 269. 608. 0.0004 0.1058
No.Dev.Units 0.66 0.24 0.20 0.14 -0.10 0.56 -0.66 -0.55 0.31 -0.93
Dipole vector (in atomic units): 52.16 -9.71 17.87
Mass Moments vector: 579.81 538.64 375.42
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