Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTFFQFDELGTSYRNEIIGGLTTFLSMAYILFVNPITLALESVKDFPEALRIDQGAVFTATA----LASAAGCILMGLIARYPIAIAPGMGLNAFFAFSVVLGMGISWQA------ALSGVFISGLIFVALSLTGFREKI--------INAIPPELKLAVGAGIGLFITFVGLQGSGIIT---ANPSTLVTIGNIHSGPVLLTIFGVIVTVILMVLRVNAGVFI-----------GMLLTAVAGMIFGLVPVP---TQIIGSVPSLAPTFGQAWIHLPDIFSVQMLIVI--LTFLFVGFFDTAGTLVAVATQAGLMKENKLPRAGRALLADSSSI---VIGAVLGTSTTTSYVESSSGVAAGARSGFAAIVTGIL----FLLATFFSPLLSVV-TSNVTAPALIIVGALMVAPLGKIAWD---KFEVAVPAFLTMIMMPLTYSIATGIAIGFIFYPITMVCKGKAKEVHPI--MYGLFVVFILYFIFLK 1IOK Chain:A ((2-526)) AAKEVKF---NSDARDRMLKGVNILADAVKVTL-GPKGRNVVIDKSFGAPRITKDGVSVAKEIELSDKFENMGAQMVREVASRTNDEAGDGTTTATVLAQAIVREGLKAVAAGMNPMDLKRGIDVATAKVVEAIKSAARPVNDSSEVAQVGTISANGESFIGQQIAEAMQRVGNEGVITVEENKGMETEVEVVEGMQFDRGYLSPYFVTNADKMIAELEDAYILLHEKKLSSLQPQKPLLIVAEDVEIAAVKAPGFGDRRKAMLQDIAILTGG----IDMLGRAKKVSINKDNTTIVDGAGEKAEIEARVSQIRQQIEETTSDYDREKLQERVAKLAGGVAVIRVGGMTEIEVKERKDRVDDALNATRAAVQEGIVVGGGVALVQGAKVLEGLSGANSDQDAGIAIIRRALEAPMRQIAENAGVDGAVVAGKVRESSDKAFGFNAQTEEYGDMFKFGVIDPAKVVRTALEDAASVAGLLITTEAMIAEKP

General information: TITO was launched using: RESULT: Template: 1IOK.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 : 2190 -308887 -141.04 -715.02 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -141.04 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.183

(partial model without unconserved sides chains): PDB file : Tito_1IOK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IOK-query.scw PDB file : Tito_Scwrl_1IOK.pdb: