Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAVVTDSTAYIPKEMREQHQIHMIPLQVVFREETYREEIELDWKSFYEEVKKHNELPTTSQPPIGELVALYEELGKSYDAVISIHLSSGISGTFSSAAAADSMVDNIDVYPFDSEISCLAQGFYALKAAELIKNGASSPEDIIKELEEMKKTVRAYFMVDDLAHLQRGGRLSSAQAFIGSLLKVKPILHFDNKVIVPFEKIRTRKKAISRIYELLDEDASKGLPMRAAVIHANREEEAAKIIEELSAKYPHVEFYNSYFGAVIGTHLGEGALGICWCFK 4X9X Chain:A ((22-299)) TKQIIVTDSTSDLSKEYLEANNIHVIPLSLTIEGASYVDQVDITSEEFINHIEN-DEDVKTSQPAIGEFISAYEELGKDGSEIISIHLSSGLSGTYNTAYQASQMV-DANVTVIDSKSISFGLGYQIQHLVELVKEGVS-TSEIVKKLNHLRENIKLFVVIGQLNQLIKGGRIS----------KIKPIGTLDDGRLELVHNARTQNSSIQYLKKEIAEFIGDHEIKSIGVAHANVIEYVDKLKKVFNEAFHVNNYDINVTTPVISAHTGQGAIGLVVLKK

General information: TITO was launched using: RESULT: Template: 4X9X.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 : 1530 -167113 -109.22 -623.56 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -109.22 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_4X9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X9X-query.scw PDB file : Tito_Scwrl_4X9X.pdb: