Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLMFHPHGKEFHHNPFSVLGRFREEEPIHRFELKRFGATYPAWLITRYDDCMAFLKDNRITRDVKNVMNQEQIKM---LNVSEDI-DFVSDHMLAKDTPDHTRLRSLVHQAFTPRTIENLRGSIEQIAEQLLDEMEKENKADIMKSFASPLPFIVISELMGIPKEDRSQFQIWTNAMVDTSEGNRELTNQALREFKDYIAKLIHDRRIKPKDDLISKLVHAEENG-SKLSEKELYSMLFLLVVAGLETTVNLLGSGTLALLQHKKECEKLKQQPEMIATAVEELLRYTSPVVMMANRWAIEDFTYKGHSIKRGDMIFIGIGSANRDPNFFENPEILNINRSPNRHISFGFGIHFCLGAPLARLEGHIAFKALLKRFPDIELAVAPDDIQWRKNVFLRGLESLPVSLSK 1JIN Chain:A ((11-401)) ------------FHVDWYSTYAELRETAPVT--PVRFLGQD--AWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEAARGAFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALISVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRADPSALPNAVEEILRYIAPP-ETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPSQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRL--

General information: TITO was launched using: RESULT: Template: 1JIN.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 : 1958 -257860 -131.70 -668.03 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -131.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_1JIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JIN-query.scw PDB file : Tito_Scwrl_1JIN.pdb: