Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIMVDTNSELCILTPLDEDDLESPLSGEFLQDIVDIQDITQTIGDDGSTPFGASEHQFFGNSPGSIGSVSTDLTDTLSPASSPASITFPAASGSAEDAACKSLNLECRVCSDKASGFHYGVHACEGCKGFFRRTIRLKLVYDRCERMCKIQKKNRNKCQYCRFEKCLNVGMSHNAIRFGRMPRSEKAKLKAEVLMCDQDVKDSQMADLLSLARLIYDAYLKNFNMNKVKARAILTGKASNPPFVIHDMETLCMAEKTLVAKLVANGIQ-NKEAEVRIFHCCQCTSVETVTELTEFAKSIPGFTELDLNDQVTLLKYGVYEAMFAMLASVMNKDGMLVAYGNGFITREFLKSLRKPIGDMMEPKFEFAMKFNALELDDSDLSLFVAALICCGDRPGLVNIPSIEKMQESIVHVLKLHLQSNHPDDSFLFPKLLQKMADLRQLVTEHAQLVQTIKKTETDAALHPLLQEIYRDMY 3PEQ Chain:B ((3-271)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ADLKAFSKHIYNAYLKNFNMTKKKARSILT-----APFVIHDIETLWQAEKGLVW------LPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY

General information: TITO was launched using: RESULT: Template: 3PEQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1114 -97736 -87.73 -381.78 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -87.73 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_3PEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3peq-query.scw PDB file : Tito_Scwrl_3PEQ.pdb: