Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNKYHLVGQIDLENLNKIIIPVTKNVFNSRISEIKRFPTGSCHFVYDAVLES-WENLVFRIGYSDSNKAKIGWSVFWHGKLKELGIK-IPALLYHDVSC---IEYGKPFTVSERIRWDDIWNAIDSLTDENLDLIAKEIAGIQNRISTLEPWRWFWEMTSYDDANLKGKWREFVLEKFEKAKMALSEGG------IFDD---SYIERVREALDRNSWYL--ENVKGTMFFDDITSKNIIVDNSEFSWVVDFDTMTCWDRLYWLGLCNMAFI-----YLEREIYISYLIRYLGCSEDDISAMNLYTLLFCLDFMSEIGQKFNKEEAIIDYIKAERYKSIFERICNNIK 3I1A Chain:B ((4-289)) ------------QPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY--HD--EINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQN--LT----GKQWKQLGKVLRQIHET-SVPISIQQQLR-KEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV-D---KTILSYYRHERIVEDI----------------------------------

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 : 1057 -39495 -37.36 -149.04 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -37.36 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.224

(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: