Figure 3.

Outer Membrane Protein OPCA. (Left) Secondary structure of outer membrane protein OPCA (PDB code 2VDF [61]): thick purple cartoons/coils are α-helices (68–73), the yellow tapes are β-sheets (9–23, 26–43, 48–65, 85–103, 106–122, 131–150, 153–171, 182–185, 188–200, 240–253), and the thin green ropes are turns and other structures; (Right) Predicted CD Using CDCALC. The 2VDF [61] structure was minimized via 10,000 conjugate gradient steps with NAMD/CHARMM22. Calculated spectra ignore all CH₃ group hydrogens. The blue dots ($•$) are the experimental SRCD (CD0000119000) [44,59]. The 6000 and 4000 refer to bandwidths in cm⁻¹. Calculated spectrum show the smallest RMSD 4000Ho ($\times$), the largest RMSD 4000Jy (o), and an example helical parameter result, 4000Hy ($+$). The CATH fold classification [53] is a single domain that is mainly beta/beta barrel.