Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIQLA-EDLQFSRVIHGLWRLNEWNYSDA----ELLSLIEWCIDHGITTFDHADIYG-GYTCEKLFGNALALSPGLRENIELVTKCGIVLESPERPAHRSHHYNTSKSHILASVEQSLMNLRTDYIDMLLIHRPDPLMDPEGVAEAFQALKCSGKVRYFGVSNFKDHQYRMLESYLPEKLVTNQIELSAYELENMLDGTLNLCQEKRIPPMAWSPLAGG----------KVFTENTDKDRRVRTALESVQGEIGAASLDEVMYAWLYTHPAGIMPIVGSGKRERISAAINALSYKLDQDQWFRIFTAVQGYDIP 3UYI Chain:A ((1-309)) MPRVKLGTQGLEVSKLGFGCMGLS-G-----LPEEQGIAVIKEAFNCGITFFDTSDIYGENGSNEELLGKALKQLP--REKIQVGTKFGI-----HEIGFSGVKAKGTPDYVRSCCEASLKRLDVDYIDLFYIHRIDTTVPIEITMGEL-KLVEEGKIKYVGLSEASPDTIRRAHAVHP--VTALQIEYSLW-TRDIEDEIVPLCRQLGIGIVPYSPIGRGLFAGKAIKES--------KNKQIYYRIEALSQKHGCTPV-QLALAWVLHQGEDVVPIPGTTKIKNLHNNVGALKVKLTKEDLKEISDAV------

General information: TITO was launched using: RESULT: Template: 3UYI.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 : 1451 -196520 -135.44 -733.28 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -135.44 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_3UYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UYI-query.scw PDB file : Tito_Scwrl_3UYI.pdb: