NMR solution structure of Ixolaris. (A) Ribbon diagrams of the 10 lowest-energy models of the Ixolaris calculated by the CS-Rosetta/RASREC program with chemical shifts and long-range NOEs. The ensemble is converged to an average backbone RMSD of 1.39 Å over the core residues. (B) The lowest-energy structure of Ixolaris. The 5 disulfide bonds are shown as sticks. (C) Solvent-accessible surface representation with electrostatic potential −2 kcal/(mol·e) in red and +2 kcal/(mol·e) in blue for Ixolaris as calculated in CHARMM-GUI PBEQ-Solver⁴⁴  (PDB accession code 6NAN).