Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MLLV---YTLIAIVALIVMIAKFRIYPFLVLIIVSL---GLALAVGMPMDG---IVKSYEAGTGKTLGHLAIVIALGSMLGKMMAESGGAERIAIALIKWFGEK------HIHWAMMFIALIVGLPVFFEVGFVLLIPIAFNIAKRTGKSLLIVGLPMVAGLSVVHGLIPPHPAALLAVQAYHADIGKTIMYSLLVGVPTAVVAGPLYALWINKYVKLPENNPLAKQFVEADANNTRELPSFGITLFTIMLPVALMLVGSWADVFFAPKTFPNELLRFIGTSDIALLIAVLVSFITFGTMQGFNREQIEKFCGGCLASIAGILLIVGAGGGFGGILRDSGISNEIVSTALKANLSPLLLGWLVA-------AIIRLATGSATVAMATACSIVAPIAAA--AGVVVRPELLVLATGSGSLIFSHVNDAGFWLIKEYFGMTVGQTLKTWSVLETIISVLGLSFTLLLSAVL 4D7E Chain:A ((1-413)) METLLVVGAGPKALAVAAKSHVLRQLGLSAPRVIAVEAHAVGGNWLASGGWTDGRHRLGTSPEKDIGFPYHSTWARGHNREINEAMMAFSWTSFLVEHGTYAEWIDRGRPSPQHHVWAKYLQWVARKIDLELVLGKVRTIRQGWSVEVAGATTELEADGLMITGPGQSTKALAAHPR-VLSIAEFWDLAGK---RKLPISSRAAVIGGG-----------------------ETAGSALDELVRHEMLTISVISPMA----SYFENSLFSDPTKWNALSIQERRDVIRRTDRGVFSVRVQESLLGDNR--VHHLQG-------RVTRIVGQGDGVAVTLRNEMRADQVHNFDLVVDATGGQPLWFLDLFDSESADLLELAVGGPLTQQRIESSIGYDLAVTGLGAKLYLPNMAALAQGPG---FPN------------------------------LSCLGELSDRVLR---

General information: TITO was launched using: RESULT: Template: 4D7E.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 : 1888 -131631 -69.72 -356.72 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -69.72 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.121

(partial model without unconserved sides chains): PDB file : Tito_4D7E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D7E-query.scw PDB file : Tito_Scwrl_4D7E.pdb: