Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKR-MQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQHLVFEYLGH----------------KFGVLICEDIWSINTVKQLSQLNVDTVLVLN--SSPYEVGKPQHRKQTLSELAKQLHLNTVYVNQVGGQ-DDLIFDGTSFVSNQNGEIALQAP-SFKE-DLYIAEFDRDTKLYKVVESAPALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAI----------------------------------GAERVQAVMMPYTYTSQISVED-----AAEQARRMGVTFGIAEIHSIVNSFMQTL-----YPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTLYGDMVGGFAVLKDVYKTIVFELAKY--RNSLSETPVIPERVITRPPSAELRPDQKDQDSLPAYDVLDAILYAYIEEDLGQADI---------IAKGFDKEVVEKVIRLVDRNEYKRRQGA---------IGPR------ITSRAFSRERRYPIVNGWTAND 3ILV Chain:A ((17-618)) ----------------DWENNVKNILDAIEEAKNANVEILCLPELCITGYGCEDLFLTDWVAETAIEYCFEIAASCTDITVSLGLPMRIA-GITYNCVCLVENGIVKGFSAKQFLANEGVHYETRWFTAWPRNHTTTFLYNDVKYPFGDVLYNVKDARIGFEICED-----------HYEKGATLVLNPSASHFAFGKSAIRYDLVIGGSERFDCTYVYANLLGNEAGRMIYDGEVLIAHKGKLIQRNDRLSFKNVNLIYADIAT-------------LEKEFEFWEATSLGLFDYMRKSRSKGFVLSLSGGADSSACAIMVAEMIRKGLKELGLTAFLQKSNMETLFDLPALQHLPFEEQAKKITAVFLTTAYQSTRNSGDETYTSAKTLAESIGATFYNWSVDEEIEQYKATIENVIERPLTWEKD-DITLQNIQARGRAPIIWMLTNVKQALLITTSNRSEGDVGYATMDGDTAGGIAPIAGVDKDFIRSWLRWAEKNRNQHGLHIVN-------------------DLMPYDVLARIERKAIKERLSPVQVYTALLTEGPYTKNEFKYWVKKFFRLWSINQWKRERLAPSFHMDDFNIDPRSWYRFPILSSGFAKE-------------

General information: TITO was launched using: RESULT: Template: 3ILV.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 : 2505 -16055 -6.41 -34.38 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -6.41 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3ILV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ILV-query.scw PDB file : Tito_Scwrl_3ILV.pdb: