Table 1.
Sequence Features of RAC18.
Table 2.
Data Collection and Refinement Statistics.
Table 3.
Features of Ab Modeling Tools.
Figure 1.
Three-dimensional crystal structure of the RAC18 Fab.
A. Ribbon structure of the Fab. B. Surface diagram of a potential Ag-binding pocket. C. Electron density map of the CDR loops contoured at 0.5 σ. Color code: light gray (light chain), dark gray (heavy chain), red (CDR L1), yellow (CDR L2), blue (CDR L3), orange (CDR H1), green (CDR H2), purple (CDR H3). Residues lining the pocket are in pink; L chain 96L; H chain 32Y, 33Y, 35N, 47W, 50L, 97A, 98R, 99R, 105L, and 106F. Pocket size: height ∼8 Å, major axis ∼12 Å, minor axis ∼5 Å. Lining the pocket are 6 hydrophobic, and 5 hydrophilic (2 charged) residues.
Table 4.
RMSD Distances Between Models and Crystal Structure.
Figure 2.
Pairwise Alignments between Models and the Crystal Structure of RAC18 Fab.
Color code: The crystal is green and the models are red. Top: FV domains. Bottom: CDRs of H and L chains. The models shown here are prior to energy minimization.
Table 5.
TM-Score of Comparison of Model to Crystal Structure.
Table 6.
Z-Score of Modeling Tools.
Table 7.
Molprobity Analysis.
Table 8.
Templates Used to Create Models.
Table 9.
Antibodies with Sequence Homology to RAC 18 in PDB.