Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFIRTENFQTFIRLYPVVTFILALQAVLWLFFSLPAHSVVLWRDTVTGYNLGVANGEWWRLITPILLHAGFTHLLFNSMSIFLFAPALERMLGKARFLLVYAGSGIIGNIGTYVTEPLDYVHVGA-SGAIFGLFGVYLFMVLFRNELIGQEHSKMIITLLAFAVL-----------MSFINSNINMMAHLFGLCGGFLLSFLCVQKKERRY 4NJN Chain:A ((134-272)) --------------------------------------------------------EFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSG---YVQQKFSGPWFGGLSGVVYALMGY----VWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANG-----AHIAGLAVGLAMAFVDSLNA----

General information: TITO was launched using: RESULT: Template: 4NJN.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 : 536 -82324 -153.59 -648.22 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -153.59 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.271

(partial model without unconserved sides chains): PDB file : Tito_4NJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NJN-query.scw PDB file : Tito_Scwrl_4NJN.pdb: