Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQTRALMEGAILISLFAIITLLVVYVPVIGTILLFALPLPMILYTIRHGLKLGIWMGAVSLPVVFIVGSF--NG-----LIVAFMSACAGIAMGHFFKRKEPGHAIISGALIYMLSIVFYFVISIQFLGINIIDEAMTQYRQSLDIVETVAKQSGNAGQFEKQLKLMEEQLGIVQYLFPTAIVMVGVIFSFLSYLIAKPLLRRFSPDIPNLKPFRELKFPQSVVVLYLIIVMLSFLPLEKGQMLYSIALNGEFILGFLIFIQGLSFIFFYCHKKQYPKAAAVIAVILGFVHPVFMAAIRILGVLDMGFHIRNKVK 4TKR Chain:A ((32-128)) -KRLIILLECAIFAAVAMVLSFIPLDIGS--SFSISLGMIPMYVIAIRRGFWAAGFAGLLWGLLHFLTGKAYILMPSQAIIEYILAFSFIAF-SGVFSKQV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TKR.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 : 305 -54493 -178.67 -605.48 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : -178.67 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_4TKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TKR-query.scw PDB file : Tito_Scwrl_4TKR.pdb: