Table 2.

Experimental Binding Activities of mAbs Compared to Overall Interaction Patterns of LPS to Epitope Sites in the K12-lps0 System

Group	mAb	Epitope-Site Residues (Loop)	Experimental Analysis	MD Analysis
S1	2, 10, 12, 14	160–172 (L4)	high binding activities in both wild-type and mutant E. coli K12 strains	epitope-site residues mainly interact with water and not with LPS sugars; some residues also interact with loop L2 of neighboring monomers
S2	15, 8, 4, 5, 9, 69	195–212 (L5)	sequentially increasing activities in wild-type to Re LPS	epitope-site residues interact with both inner and outer core sugars, and some residues are fully exposed to water
S3c	60	25–31 (L1)	moderate activities for Rb3 to Rd1 LPS but high activity for truncated Re LPS	epitope-site residues interact with inner- and outer-core sugars, and some are fully exposed to water