Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKYHISMINIPAYGHVNPTLALVEKLCEKGHRVTYATTEEFAPAVQQAGGEALIYHTSL-NIDPKQIREMMEKNDAP-LSLLKESLSILPQLEELYKDDQPDLIIYD-FVALAGKLFAEKLNVPVIKLCSSYAQNESFQLGNEDM----------LKKIREAEAEFKAYLEQEKLPAVSFEQLAVPEALNIVFMPKSFQIQHETFDDRFCFVGPSLGERKEKESLLIDKDDRPLMLISLGTAFNAWPEFYKMCIKAFRDSSWQVIMSVGKTIDPESLEDIPANFTIRQSVPQLEVLEKADLFISHGGMNSTMEAMNAGVPLVVIPQMYEQELTANRVDELGLGVYLPKEEVTVSSLQEAVQAVSSDQELLSRVKNMQKDVKEAGGAERAAAEIEAFMKKSAVPQ 3IAA Chain:A ((22-395)) ----HLLIVNVASHGLILPTLTVVTELVRRGHRVSYVTAGGFAEPVRAAGATVVPYQSEIIDADAAEVFGSDDLGVRPHLMYLRENVSVLRATAEALDGDVPDLVLYDDFPFIAGQLLAARWRRPAVRLSAAFASNEHYSFSQDMVTLAGTIDPLDLPVFRDT---LRDLLAEHGLSRSVVDCWNHVEQLNLVFVPKAFQIAGDTFDDRFVFVGPCFDDRRFLGEWTRPADDLPVVLVSLGTTFNDRPGFFRDCARAFDGQPWHVVMTLGGQVDPAALGDLPPNVEAHRWVPHVKVLEQATVCVTHGGMGTLMEALYWGRPLVVVPQSFDVQPMARRVDQLGLGAVLPGEKADGDTLLAAVGAVAADPALLARVEAMRGHV------------------------

General information: TITO was launched using: RESULT: Template: 3IAA.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 : 2052 -284295 -138.55 -787.52 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -138.55 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_3IAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IAA-query.scw PDB file : Tito_Scwrl_3IAA.pdb: