Table 4.

Parameters for 3D modeling, refinement, and validation of the fusion proteins.

Fusion protein	Refinement cycle	Minimization energy (ΔG) (kcal/mol)	Ramachandran plot (%)	Z-score	RMSD (FimH-PapG)
FC	10	−11,912.82	94.70	−6.97	1.81 Ȧ−NA
CP	10	−7040.78	92.30	−7.7	NA−2.02 Ȧ
PF	10	−7140.54	92.40	−7.7	1.83 Ȧ−1.37 Ȧ
FCP	10	−13,866.68	93.10	−9.53	1.67 Ȧ−1.62 Ȧ
CPF	10	−13,343.83	92.50	−10.72	1.99 Ȧ−2.02 Ȧ
PFC	10	−13,577.65	91.90	−10.68	1.88 Ȧ−1.38 Ȧ

Calculations for RMSD were generated with the FimH-lectin domain (PDB 1TR7) and PapG-lectin domain (PDB 1J8R). NA, not applicable.