Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTAYQDARSWIHGRLKFGVKPGLGRMKQLMARLGHPEKKIRAFHVAGTNGKGSTVAFIRSMLQEAGYTVGTFTSPYIITFNERISVNGIPISDEEWTALVNQMKPHVEALDQTEYGQP----TEFEIMTACAFLYFAEFHKVDFVIFETGLGGRFDSTNVVEPLLTVITSIGHDHMNILGNTIEEIAGEKAGIIKEGIPIVTAVTQPEALQVIRHEAERHAAPFQSLHDACVIFNEEALPAGEQFSFKTEEKCYEDIRTSLIGTHQRQNAALSILAAEWLNKEN---IAH-----ISDEALRSGLVKAAWPGRLELVQEHPPVYLDGAHNEEG----VEKLAETMKQRFANSRISVVFSALKDKPYQNMIKRLETIAHAIHFASFDFPRAS----LAKDLYDASEISN--KSWSEDPDDVIKFIESKKGSNEIVLITGSLYFISDIRKRLK 3NRS Chain:A ((34-435)) ----------------------GLERVKQVAERLDLLKPAPKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAE----------HSHSFAQIEAGRGDISLTYFEFGTLSALQLFKQA-KLDVVILEVGLGGRLDATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAV--VGEPDMPQSIADVAAELGAQLYR-RDVAWKFS-------Q--------------NGWHWQCGERQLTGLPVPNVPLANAATALAVLHYSELPLSDEAIRQGLQAASLPGRFQVVSEQPLLILDVAHNPHAARYLVNRLAQVI------GKVRAVVGMLSDKDIAGTLACLSERVDEWYCAPLEGPRGASAGQLAEHLVSARQFSDVETAWRQAMQDA--------DTQDVVIVCGSFHTVAHVMAAL-

General information: TITO was launched using: RESULT: Template: 3NRS.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 : 2031 -45429 -22.37 -126.90 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -22.37 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3NRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NRS-query.scw PDB file : Tito_Scwrl_3NRS.pdb: