Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------MTKKNNAPELHKYRGLTSTEQMVIHQML--ISYVREENCRFNIIMTGTAEPYNLVKLTSINFENEASAIWVHFETITGEQIALP-IDFLSRIEFSGQQEI------------------------------------------------------------------------------------------------------------------------------------------------- 3RFY Chain:A ((78-433)) GGILLVANPVIPDVSVLISGPPIKDPEALLRYALPIDNKAIREVQKPLEDITDSLKIAGVKALDSVERNVRQASRTLQQGKSIIVAGFAESKKDHGNEMIEKLEAGMQDMLKIVEDRKRDAVAPKQKEILKYVGGIEEDMVDGFPYEVPEEYRNMPLLKGRASVDMKVKIKD-NPNIEDCVFRIVLDGYNAPVTAGNFVDLVERHFYDG-MEIQRSDGFVVQTGDPEGPAEGFIDPSTEKTRTVPLEIMVTGEKTPFYGSTLEELGLYKAQVVIPFNAFGTMAMAREEFENDSGSSQVFWLLKESELTPSNSNILDGRYAVFGYVTDNEDFLADLKVGDVIESIQVVSGLENLANPSY

General information: TITO was launched using: RESULT: Template: 3RFY.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 : 209 4221 20.20 44.43 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 20.20 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_3RFY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RFY-query.scw PDB file : Tito_Scwrl_3RFY.pdb: