Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNKYHLVGQIDLENLNKIIIPVTKNVFN-SRISEIKRFPTGSCHFVYDAVLESWENLVFRIGYSDSNKAKIGWSVFWHGKLKEL---GIKIPALLYHDVSCIEYGKPFTVSERIRWDDIWNA-IDSLTDENLDLIAKEIAGIQNRISTLEPWRWFWEMTSYDDANLKGKWREFVLEKFEKAKMALSEGGIFDDSYIERVREALDRNSWY-LENVKGTMFFDDITSKNIIVDN-SEFSWVVDFDTMTCWDRLYWLGLCNMA---FIYLE-REIYISYLIRYLGCSEDDISAMNLYTLLFCLDFMSEIGQKFNKEEAIIDYIKAERYKSIFERICNNIK 5IQI Chain:C ((9-282)) -------------ATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLVN----NEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYIS---DELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGL-DYTDISECTID----NKQNVLEEYILLRETIYNDL------TDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGN--IDIEKAKEYQDIVEEYYPIETIVYG-------------------------------

General information: TITO was launched using: RESULT: Template: 5IQI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1145 -5181 -4.52 -19.70 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -4.52 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_5IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqi-query.scw PDB file : Tito_Scwrl_5IQI.pdb: