Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNWYRLTVEDVLKNYQTS-TEGLSQEERQKRLTDQGYNEIKARQQTKRWKKIAKHFTDLLMIVLIIASFLKFAS-------------SEYIEGSIILFVVIVNGLVSYWQERKAEESLNGLKQLMGQEAIVLSNGMQEKIPAKELVKGDVIVLRAGDVVPADIRLIEAHDLLVEESILTGESEASEKSHAVLTEEESIGDQKNMGFSGTLVQSGSAVGVVVETGNTTEIGKINQALQSVEQQTTPLIKKINRLNKQIFQGILCLSLFLVIFTTFRYGMDWHILLSATIALVVSMVPEGLPAVLTMILSVGVHEMAKEKAIIKGLPSVETLGSMTVICSDKTGTLTKNEMTVVDVAAKEE----------------------ACVLSIMKNCQELKTKEE-----QKTENLSGNPTEVALIRHTETANLPL----KKIE--AKIPFSSEYKYMATMHAEE----KGAVIYVKGAPEVLFAKSTL----------SSAEQEAWSQTAAEFARKGQRVLGFAYKKVDSKQE---------LTHETLTQLTFAGIAGLIDPPKESAVKAVKECQQAGISVKMITGDHKDTAKAIAEQIGLKHTA-------------------------KVLEGIDLDLMSDEELIQQV--PIVDVFARTTPEHKLRIVKALQKNGEIVGMTGDGVNDAPALKRSDVGIAMGIKGSEVSKQAADMVLGDDNFHTIAKAVKEGRRILDNLQKTINFFLPTALAQGLILIWALMLNRPLPLSPVQILWVNMVTTITLSYALGFESPDPEIMKRPPRDPK-QGILSGYHLFRIIYV-SLLIMVP---AYLLAMQ---F----------------------------------EGQSLQQTILLQNIVLAQAVYMINCRELSKPSLNQGLLQNKALFLSLGILALLQGMVIFLPVGQQLIGTVSLTMTQQLLIGANVILLFLVVEIEKGIMNKLFRKKEKTAREYSR 2ZXE Chain:A ((46-1017)) MDDHKLSLDELHNKYGTDLTRGLTNARAKEILARDGPNSLTPPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYGIQAATEDEPANDNLYLGVVLSTVVIVTGCFSYYQEAKSSRIMDSFKNMVPQQALVIRDGEKSTINAEFVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPEFSS--ENPLETRNIAFFSTNCVEGTARGVVVYTGDRTVMGRIATLASGLEVGRTPIAIEIEHFIHIITGVAVFLGV-SFFILSLILGYSWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGAAFDKTSATWSALSRIAALCNRAVFQAGQDNVPILKRSVAGDASESALLKCIELCCGSVQGMRDRNPKIVEIPFNSTNKYQLSIHENEKSSESRYLLVMKGAPERILDRCSTILLNGAEEPLKEDMKEAFQNAYLELGGLGERVLGFCHFALPEDKYNEGYPFDADEPNFPTTDLCFVGLMAMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETIEDIAARLNIPIGQVNPRDAKACVVHGSDLKDLSTEVLDDILHYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLVFIIGNVPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFSYFVILAENGFLPMDLIGKRVRWDDRWISDVEDSFGQQWTYEQRKIVEFTCHTSFFISIVVVQWADLIICKTRRNSIFQQG-MKNKILIFGLFEETALAAFLSYCPGTDVALRMYPLKPSWWFCAFPYSLIIFLYDEMRRFIIRRS-------------

General information: TITO was launched using: RESULT: Template: 2ZXE.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 : 4631 -77555 -16.75 -93.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -16.75 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_2ZXE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZXE-query.scw PDB file : Tito_Scwrl_2ZXE.pdb: