Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSSAPYNEQVIRDITKILNANFSFPTSITNIELLVKGM-NYT--LRVECKNTKYYLKIFSASRDKIDISFEMHVINRLSASGIG-VATAINSINGDAYINLTLAGEDRLAVLYAHVGGRTLT---SDPRDIFLFSKALAEIHRTPTSFFLQYT----S-RIFSIE---SECYRIRS------SIEKHSYIPKPLASKLLDNCYSIQ----ALASTDC-AVLSHGDAWLGNAKYV-NGVIYFIDLEDSKLANRNFDLGVMAYNLIVKKYEVRENIQALLRGYNELNTSITSGSIKPYIQLRSLFVLCFLLENKLVDQSLLQKVFERAEYFTSSKFDSEMAHLP 3I1A Chain:B ((15-272)) --------------------LKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH----DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQL----KHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNV-WNKPHEIQYFYEGYGEINV--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 833 4167 5.00 18.04 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 5.00 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: