Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIIVTTCLLATGFLLTACGESQSSNESQQTTIQFMHSSVEQERLSVINELVADFEKENPDIKIKQVPVEESAFNTKIVTLARSG-KLPEVMEVSQD-FAKVMDKDELIDQTAVQNVIEEAGEDNYYDGAKNLVRSEDGKSYIAAPISGWVQGIWYDKEKLSEAGFSEPENWDDILKIAQHFTDKENKQYGIAMPTAEGTMSEQAFSQFALSNGANVLDDE-GEVTIDTEKMREALSFYQNLSQYTM-PG-S-NDVTEIKDAFMNGTAPMAIYSTYILPSVYEAG---NSENIGFA-IPTQKDQ-AVYGTVSGLTISSGLDEKQKEAAEAFTAFLSQPKNMEKWVLMSPGGAQPVNKQVVELDGYKENEVIKSFGELPSEIASAFDEVQVFGLVGEKNFTKMGDITSSGVIGKAVNQVTVGNEDVDQALADAQKNTK 3K01 Chain:A ((22-405)) ------------------------A-MVELSGTVTFWDTSNE-AEKATYQALAEGFEKEHPKVDVKYVNVPFGEANAKFKNAAGGNSGAPDVMRTEVAWVADFASIGYLAPLDGTPAL---DDGSDHLPQAAAST-RYEGKTY-AVPQVIDTLALFYNKELLTKAGVEVPGSVAELKTAAAEITEKT-GATGLYLRGDDP----YWFLPYLYGEGGDLVDEKNKTVTVDDEAGVRAYRVIKDLVDSKAAITDASDGWNNMQNAFKSGKVAMMVNGPWAIEDVKAGARFKDAGNLGVAPVPAGSAGQGSPQGGWNLSVYAG--SKNLDASYAFVKYMSSAKVQQQTTE--KLSLLPTRTSVYEVPSVADNEMVKFFKP-------AVDKAVE--RPWIAEGN---AL--FEPIRLQMANVLSGETSPDEAAANTGDAYR

General information: TITO was launched using: RESULT: Template: 3K01.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 : 2132 116328 54.56 311.87 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 54.56 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_3K01.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K01-query.scw PDB file : Tito_Scwrl_3K01.pdb: