Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNKQRWMGGVVLLGGGVLLAALLLKGNEEIKQVDVQPQTSTSPKLQAKPKQSAQEGQMVQLQPLAVDVETEKRLLEEQRRSREKAVAEQEARAAEFLAMQQQAEADAARKAAAEYAAINARRAAAQESSDNIPPEVAGSENKAKGQQTDTKKSVDLAKADADKKAAEAKRLAEADKKAAEAKRQAEADKKAAEAKRQAEADKKAAEAKRQAEADKKAAEAKRKAEAEKKAEAEKARE-LLENGDKKWMVQVALAANQANADAVVSKLRAKGYKVTTSPTSKGIRIMVGPAKDRDTADTTRKKITSDASLNMKSAWVIDWVPLDQRKSD 3K5B Chain:B ((21-120)) -----------------------------------------------------------------------------------------------------------------------------------------------------------GLIKSLAEKEKQLLERLEAAKKEAEERVKRAEAEAKALLEEAEAKAKALEAQYRERERAETEALLARYRERAEAEAKAVREKAMARLDEAVALVLKEVLP--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K5B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 20 1826 91.28 18.44 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 91.28 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.985

(partial model without unconserved sides chains): PDB file : Tito_3K5B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K5B-query.scw PDB file : Tito_Scwrl_3K5B.pdb: