Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADKQTHETELTFDQVKEQLTESGKKRGVLTYEEIAERMSSFEIESDQMDEYYEFLGEQGVELISENEETEDPNIQQLAKAEEEFDLNDLSVPPGVKINDPVRMYLKEIGRVNLLSAKEEIAYAQKIEEGDEESKRRLAEANLRLVVSIAKRYVGRGMLFLDLIQEGNMGLMKAVEKFDYRKGYKFSTYATWWIRQAITRAIADQARTIRIPVHMVETINKLIRVQRQLLQDLGREPTPEEIAEDM--DLTPEKVREILKIAQEPVSLETPIGEEDDSHLGDFIEDQEATSPSDHAAYELLKEQLEDVLDTLTDREENVLRLRFGLDDGRTRTLEEVGKVFGVTRERIRQIEAKALRKLRHPSRSKRLKDFLE 4KI2 Chain:B ((109-239)) -----------------------------------------------------------------------------------------------------------------------------------EAARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEYKRRFKFSTYATWWIRQAINRAIADQARTIRIPVHMVETINKLSRTARQLQQELGREPSYEEIAEAMGPGWDAKRVEETLKIA---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KI2.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 : 370 -27757 -75.02 -215.17 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -75.02 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.660

(partial model without unconserved sides chains): PDB file : Tito_4KI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KI2-query.scw PDB file : Tito_Scwrl_4KI2.pdb: