Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELFMKITNYEIYKLKKSGLTNQQILKVLEYGENVDQELLLGDIADISGCRNPAVFMERYFQIDDAHLSKEFQKFPSFSILDDCYPWDLSEIYDAPVLLFYKGNLDLLKF-PKVAVVGSRACSKQGAKSVEKVIQG-LENELVIVSGLAKGIDTAAHMAALQNGGKTIAVIGTGLDVFYPKANKRLQDYIGNDHLVLSEYGPGEQPLKFHFPARNRIIAGLCRGVIVAEAKMRSGSLITCERAMEEGRDVFAIPGSILDGLSDGCHHLIQEG-AKLVTSGQDVLAEFEF 4LJR Chain:A ((2-211)) -------------------------------------------------------------------------KSHFQYSTLENIPKAFDILKDPPKKLYCVGDTKLLDTPLKVAIIGTRRPTPYSKQHTITLARELAKNGAVIVSGGALGVDIIAQENALP---KTIMLSPCSLDFIYPTNNHKVIQEIAQNGLILSEYEKDFMPIKGSFLARNRLVIALSDVVIIPQADLKSGSMSSARLAQKYQKPLFVLPQRLNE--SDGTNELLEKGQAQGIFNIQNFINTLL-

General information: TITO was launched using: RESULT: Template: 4LJR.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 : 1202 -24742 -20.58 -119.53 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -20.58 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_4LJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LJR-query.scw PDB file : Tito_Scwrl_4LJR.pdb: