Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANIKDIAEKAGVSVTTVSRVINNHPYVSEDKRKRVFEAMESLEYTRNIHAVHLSKGFSNMIGVVLPTVNLPYFAELIAGIADAAAESGVHLSLFQTNYEVQKEIFALSQLKQRQVDG-LIFCSKALADEKLM----EWEGPILLCQNSDNARFPTISIPHQEAFRNGL---DYLIAKGHKKIAICLARKKGMNSHFRIKAYKEALEEIGEAFREDWVIEKAITINDGKALFHKWNTWKEKPTAIFVANDQVSAGLFLEAKNQRVSVPDELAILSVDNHEISQAL--GITTIDIQTREMGKQAFAILEKRIQGQPIERKVLDY--RLIERSTV 2PUB Chain:A ((2-330)) --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSE--YPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEANTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV

General information: TITO was launched using: RESULT: Template: 2PUB.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 : 1648 -187116 -113.54 -590.27 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -113.54 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_2PUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUB-query.scw PDB file : Tito_Scwrl_2PUB.pdb: