Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTAYQDARSWIHGRLKFGVKPGLGRMKQLMARLGHPEKKIRAFHVAGTNGKGSTVAFIRSMLQEAGYTVGTFTSPYIITFNERISVNGIPISDEEWTALVNQMKPHVEALDQTEYGQPTEFEIMTACAFLYFAEFHKVDFVIFETGLGGRFDSTNVVEPLLTVITSIGHDHMNILGNTIEEIAGEKAGIIKEGIPIVTAVTQ-PEALQVIRHEAERHAAPF------QSLHDACVIFNEEALPAGEQFSFKTEEKCYEDIRTSLIGTHQRQNAALSILAAEW--LNKENIAHISDEALRSGLVKAAWPGRLELVQEHPPVYLDGAHNEEGVEKLAETMKQRFANSRISVVFSALKDKPYQNMIKRLETIAHAIHFASFDF---PRASLAKDLYDASEISNKSWSEDPDDVIKFIESKKGSNEIVLITGSLYFISDIRKRLK 3NRS Chain:A ((14-436)) --SPLAAWLCYLEHL-------GLERVKQVAERLDLLKPAPKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAEHSHSFAQIEAGRG------DISLTYFEFGTLSALQLFKQA-KLDVVILEVGLGGRLDATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAVVGEPDMPQSI---ADVAAELGAQLYRRDVAWKFSQ-----------NGWHWQCG----ERQLTGLPVP-NVPLANAATALAVLHYSELP------LSDEAIRQGLQAASLPGRFQVVSEQPLLILDVAHNPHAARYLVNRLAQVI--GKVRAVVGMLSDKDIAGTLACLSERVDEWYCAPLEGPRGASAGQLAEHL-VSARQFSDVETAWRQ----AMQDADTQDVVIVCGSFHTVAHVMAALH

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 : 2260 -85955 -38.03 -225.01 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -38.03 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.479

(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: