Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGI-----GHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIH-YLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS 4ZSJ Chain:A ((1-265)) --------------------------DVGDEYEIIETIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKILKHFKHDNIIAIKDILRPTVPYGEFKSVYVVLDLMESDLHQIIHSSQ-PLTLEHVRYFLYQLLRGLKYMHSAQVIHRDLKPSNLLVNENCELKIGDFGMARGLCTSPAEHQYFMTEYVATRWYRAPELMLSLHEYTQAIDLWSVGCIFGEMLARRQLFPGKNYVHQLQLIMMVLGTPSPA--VIQAVGAERVRAYIQSLPPRQPVPWETVYP--------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZSJ.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 : 1139 -109650 -96.27 -423.36 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -96.27 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_4ZSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZSJ-query.scw PDB file : Tito_Scwrl_4ZSJ.pdb: