Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKIGYRTIKTALGTALAIYISQLLHLQNFASAGIITILCIQITQKRSLQASWARFSACCLAIAFSYLFFELIGYHPFVIGALLLIFIPITVLLKINEGIVTSSVIILHLYMSGGITPTFIWNEVQLITVGIGVALLMNLYMPSLDRKLIAYRKKIEDNFAVIFAEIERYLLTGEQ-DWSGKEIPETHQLITEAKNLAYRDVQNHILRYENLHYHYFKMREKQFEIIERLLPKVTSISITVDQGKMIAEFIHDLREAIHPGNTAYKFLKRLADMRKEFEEMPLPATREEFEARAALFHLLGEMEQYLVIKSYFKGIKAQKSLG 3KMI Chain:A ((6-173)) ------------------------------------------------------------------------------------------------------------------------------------------------NIHKIHEVQKKLQEEVSIVLIDIADIIVNPKKENGYSRDLYTLNSLIDSSISETYDNINNTLLSDTRFFLEHMDIIKSQRDILENLYSYVSQLNSTPPQAHILSAFIHKIGYTEFEAETGNLLLEELKRLMISMKNQPLPVDRTEFENRAILFLCLTELKQFLVNRKH-----------

General information: TITO was launched using: RESULT: Template: 3KMI.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 : 561 -30426 -54.23 -182.19 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -54.23 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.685

(partial model without unconserved sides chains): PDB file : Tito_3KMI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KMI-query.scw PDB file : Tito_Scwrl_3KMI.pdb: