Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMVFELVKHSPNALRRYMTDMNVSASALANLTNISESKINKSLVEVEVFKLSQLETISKVLFVPTVYLTTDNFVYERNTPELIEFRNHIDIPQDRYKENALVQEFCQVRDNFISVLSSLNEEPKAFDLRLSGTNAEEDAQTIIDYFGFYTHTKKTKNSDDYFNAWRDIVELKDVIVIDRGREKFGSDGMCLYFDTAPIITIFSSGQSQSRKLFTLIHEIVHLGLGSSVFDGRLLESDNSLEKYCDQVAGYVLAPKSIVAACFNEYLTIEENVILIRKQTKASKAAIAIQLKMLGLINQDQLTDYLEYIKPKENGGGFGSKKENMVLKYFGHSFVEKVMSAMWQERISSNTAKNILGFHKTSKPSAFKELQQKVF 3KZ3 Chain:B ((15-80)) -------RRLKAIWEKKKNELGLSYESVADKMGMGQSAVAALFNGINALNAYNAALLAKILKVSVEEFSPSIA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KZ3.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 : 225 -41803 -185.79 -633.38 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -185.79 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3KZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KZ3-query.scw PDB file : Tito_Scwrl_3KZ3.pdb: