Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIRVETQMYKSYLFGSKSLLLISLSMLPMFVSAKTILILGDSISAGYGID----------PKQGWVQLLQKRLDQQYPK-QHKVVNASVSGETTSGALARLPKLLQTYKPEVVVIELGGNDGLRG----------QPPQMIQQNLSQLIQLSQKQKAKVILFGMKIPPNY----GTAYSKAFENNYKTVSQKYQVKLLPFFLDGVA----GQKQLMQNDLIHPNAQAQSKLLNLAYPYIKGAL 5JD3 Chain:F ((21-236)) ---------------------------GMYFAAGSKLVIIGDSITDAGRDKGIGGEGLFNAHGSGYVALLNAHLFARFPERRLRLVNQGNSGNTVRDLAARWQNDVFGLKPDYVAMMIGINDVWRQFDLPLMTDRHVCPEEYEKTLDELVARTAPTVKGMILLTPYFIEPNREDAMRARMDVYGDLMRRVAERHGCLLVDVQGAFDRYLQHYHPAQLAWDRIHPNLAGHQVIANAFLAATGCL-

General information: TITO was launched using: RESULT: Template: 5JD3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 900 8903 9.89 47.61 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain F : 0.64 3D Compatibility (PKB) : 9.89 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_5JD3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JD3-query.scw PDB file : Tito_Scwrl_5JD3.pdb: