Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MNTPKKHKKFKA-KMILQIIMVIIGGIIAAYGLETVLIPNSVSDGGVTGLSIVGSQLFNLPLGILIAVINIPFVWLGYKQIGKSFALLSIIGIVSLAAGTSFFHHTPAIIEGDTLLITVVGGIILGFGMGLALRNGGALDGIDMLAVLLSRKLPFGTSDLILFLNLFVFIFVSTVFG---LQGALLSVIAYYIASKVIHVVEEGLSGSKTFQIITTQPELMVETIRDQLGRSATYKEAYGGFSHEKFKEITCVINRLEETKLKEI-INDIDKTAFVTVYDVAEVKGSNFRNLNHH 3DU1 Chain:X ((0-236)) HMNVGEILRHYAAGKRNFQ---------------HINLQEIELTNASLTGADLSYADLRQTRLG------KSNFSHTCLREADLSEAILWGIDL----SEADLYR---AILREADL----TGAKLVKTRLEEANLIKASLCGANLNSANLSRCLLFQ-ADLRPSSN------QRTDLGYVLLTGADLS-YADLRAASLHHA---NLDGAKL--------------CRANFGRTIQWGNLAADLSGASLQGADLSYANLESAILRKANLQGADLTGAILKD--AELKGAIMPDGSIH

General information: TITO was launched using: RESULT: Template: 3DU1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1568 -180866 -115.35 -782.97 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain X : 0.61 3D Compatibility (PKB) : -115.35 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_3DU1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DU1-query.scw PDB file : Tito_Scwrl_3DU1.pdb: