Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNLAFLFPGQGSQFVGMGKSFWNDFVLAKRLFEEASDAISMDVKKLCFDGDMTELTRTMNAQPAILTVSVIAYQVYMQEIGIKPHFLAGHSLGEYSALVCAGVLSFQEAVKLIRQRGILMQNADPEQLGTMAAITQVYIQPLQDLCTEISTEDFPVGVACMNSDQQHVISGHRQAVEFVIKKAERMGANHTYLNVSAPFHSSMMRSASEQFQTALNQYSFRDAEWPIISNVTAIPYNNGHSVREHLQTHMTMPVRWAESMHYLLLHGVTEVIEMGPKNVLVGLLKKITNHIAAYPLGQTSDLHLLSDSAERNEN--IVNLRKKQLNKMMIQSIIARNYNKDAKTYSNLTTPLFPQIQLLKERVERKEVELSAEELEHSIHLCQLICEAKQLPTWEQLRILK 3PTW Chain:A ((2-317)) -AKLGFLFAGQGAQYVGMGKEFFDNFEESKEVFKRSSEALGIDMEELCFNDPEGLLNKTEFTQPAIITTNMAILTAL-DKLGVKSHISCGLSLGEYSALIHSGAINFEDGVKLVKKRGKFMQEAVAEGIGGMVAVLRMTPEQVDEIIEKSS-PYGIVEGANYNSPGQIVISGELVALEKAMEFIKEVGGRAIKLPVSAPFHCSMLQPAAEKLEDELNKISINKLNGIVMSNVKGEAYLEDDNIIELLTSQVKKPVLFINDIEKMIESGVDTFIEIGPGKALSGFVKKINKNVTVL---NVEDLKSLEKTLSKLREMEVLAEN--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PTW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1874 -223399 -119.21 -711.46 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -119.21 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_3PTW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PTW-query.scw PDB file : Tito_Scwrl_3PTW.pdb: