Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADDRKAALDAALKKIEKSYGKGSIMKLGEKIDQQISTIPSGSLALDVALGVGGYPRGRIIEVYGPESSGKTTVALHAIAEVQKNGGTAAFIDAEHALDPQYAQKLGVNIDELLLSQPDTGEQGLEIADALVSSGAVDIVVVDSVAALVPRAEIDGEMGDSHVGLQARLMSQALRKLSGSINKTKTIAIFINQIREKVGVMFGNPEITPGGRALKFYATIRLEVRRAEQLKQGTDIVGNRTKIKVVKNKVAPPFKIAEVDVMYGLGISQEGELLDMAVEKDIVDKSGAWYSYKEDRIGQGRENAKIYMANHPEMMAEVSALVRAAYGIGEEVAVPEDEKGQEELPLVEE 1XMV Chain:A ((8-328)) --ENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIE---------------SQAMRKLAGNLKQSNTLLIFINQ------------------NALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVR--------------------------

General information: TITO was launched using: RESULT: Template: 1XMV.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 : 1484 -141227 -95.17 -490.37 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -95.17 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_1XMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XMV-query.scw PDB file : Tito_Scwrl_1XMV.pdb: