Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIMVDTNSELCILTPLDEDDLESPLSGEFLQDIVDIQDITQTIGDDGSTPFGASEHQFFGNSPGSIGSVSTDLTDTLSPASSPASITFPAASGSAEDAACKSLNLECRVCSDKASGFHYGVHACEGCKGFFRRTIRLKLVYDRCERMCKIQKKNRNKCQYCRFEKCLNVGMSHNAIRFGRMPRSEKAKLKAEVLMCDQDVKDSQMADLLSLARLIYDAYLKNFNMNKVKARAILTGKASNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKSIPGFTELDLNDQVTLLKYGVYEAMFAMLASVMNKDGMLVAYGNGFITREFLKSLRKPIGDMMEPKFEFAMKFNALELDDSDLSLFVAALICCGDRPGLVNIPSIEKMQESIVHVLKLHLQSNHPDDSFLFPKLLQKMADLRQLVTEHAQLVQTIKKTETDAALHPLLQEIYRDMY 3VI8 Chain:A ((7-273)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLKSLAKRIYEAYLKNFNMNKVKARVILS------PFVIHDMETLCMAEKTLVAKLVANG--NKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY

General information: TITO was launched using: RESULT: Template: 3VI8.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 : 1152 -184897 -160.50 -716.66 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -160.50 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_3VI8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3vi8-query.scw PDB file : Tito_Scwrl_3VI8.pdb: