Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTRRKPMKFMTLNTHSWLEPEPEKKLQELADKILLEDYEVIALQEINQLLESEEVEPAKLMKFCPVKNQVPIRKDNFAYRLVQLLKEHGKEYFWSWEMSHIGYDKYEEGNALLTKKTLESQVLTVSQFQKKEDYQTRKILIGKTKIDDQDIFVSSCHFSWWTDKKSGFYFEWKNLENYF-LETRVPLFFLGDFNNPVDSQGYYTVRESCLLLQDSYVVANEKGKAATVEKKIDGWEQNTEKLRIDFIFVPEGMQVKKYQRIFDGIDSPIISDHYGVEIELDVNE 1WDU Chain:A ((18-245)) -----PPYRVLQANLQRK-----KLATAELAIEAATRKAAIALIQEPY-------------------------------------VKGFRGVRVFQSTAQGDGTV----KAAIAVFD--HDLDVIQYPQLTTNNIVVVGIRTRAWEITLVSYYFEP---------DKPIESYLEQIKRVERKMGPKRLIFGGDANAKSTWWGSKEDDARGDQLMGTLGELG----LHILNEGDVPTFDTRYQSRVDVTFCTEDMLDLIDGWRVD--EDLVSSDHNGMVFNIRLQK

General information: TITO was launched using: RESULT: Template: 1WDU.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 : 1253 -34088 -27.21 -157.81 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -27.21 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_1WDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WDU-query.scw PDB file : Tito_Scwrl_1WDU.pdb: