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. Author manuscript; available in PMC: 2014 Jun 16.
Published in final edited form as: J Mol Biol. 2012 Jun 28;423(1):1–13. doi: 10.1016/j.jmb.2012.06.033

Table 1.

The total number of basic charges for the series of membrane complexes considered here was computed together with the number of basic residues in the transmembrane regions. The most likely location of protonated sites was deduced from the total number of basic residues in the membrane and soluble proteins using MD simulations in vacuum. The number of charges, determined from mass spectra, was assigned to the protonation sites that maintained the most stable structures. The average charge state observed in the electrospray spectrum is also shown.

total basic residues basic residues in TM region charged residues in TM region average charge state
BtuCD 142 10 0 22.8
CL12 74 0 0 22.2
EmrE 10 1 0 8
Kirbac 184 0 0 25.3
LmrA 116 0 0 18.9
LmrCD 129 2 0 25
MexB 242 18 3 39.9
MtrE 174 3 3 25