Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELFMKITNYEIYKLKKSGLTNQQILKVLEYGENVDQELLLGDIADISGCRNPAVFMERYFQIDDAHLSKEFQKFPSFSILDDCYPWDLSEIYDAPVLLFYKGNLDLLKFPKVAVVGSRACSK--QGAKSVEKVIQG-LENELVIVSGLAKGIDTAAHMAALQNGGKTIAVIGTGLDVFYPKANKRLQDYIGNDHLVLSEYGPGEQPLKFHFPARNRIIAGLCRGVIVAEAKMRSGSLITCERAMEE-------GRDVFAIPGSILDGLSDGCHH-LIQEGA---------KLVTSGQDVLAEFEF 5WQ3 Chain:A ((68-243)) -------------------------------------------------------------------------------------------------------------PKAVTVFGSARIKEDHPYYKAGVELGEKLVAADYAVVTGGGPGLMEAPNKGASEANGLSVGLGIE-----LPH--HL-------N-----PYVD-LGLNFRYFFARKTMFLKYSQAFVCLPGG--FGTLDELFEVLCMVQTGKVTNFPIVLIGTEFWAGLVDWIRHRLVEEGMIDEKDVDRMLVTDDLDQAVKFIV-

General information: TITO was launched using: RESULT: Template: 5WQ3.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 : 743 12781 17.20 82.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 17.20 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_5WQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WQ3-query.scw PDB file : Tito_Scwrl_5WQ3.pdb: