Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENKEQAQQAVYKETIDSLMQQTQS-STDGLSTTQAKEKLERDGLNQLKEKPKKPTWKLFLETFKDAMVIVLLIVALIQMVMG-------------DYIEFLVIFAVLMLNSIISVVQTKKAEGSLEALKNLSAPDARVIRDGKEKTIPANELVVGDIVLLDAGDYVPADGRLLDAGSLKVDEGMLTGESTSAEKEVTDITSTVPIGDRTNMVFSGTIVTYGRGKFLVTSTGNNTEIGQVAGLLESTTEQVTPLQRGLDKFSKKLSLAILALSLLILGIQLFRIYLGEGTGDMTADIVSAVMFAVAVAVAAIPEALQSIVTIVLSLGTNKMAKRHAIIRKLPAVETLGSTSIICTDKTGTLTQNKMTVVDYFLGNGDTGDFTNDP-------SKWTADERRLIEISVLANDASIS--------EDGTKLGDPTEVAFIDFSEKLNQPYQEIRNNYPRQAELPFDSDRKLMSTGHTID----NKNYLFVKGGPDIVFQRSKKVLLNGEVVPMTDELMKKFQEQNEAFSTRALRVLAFAYRPLDNFD----------LSFEDEDDLILVGLLAMIDPPRAEVTQAVTEARSAGIKTIMITGDHKTTAVAIAKQIGIFEEGN------------------------LALTGTELDELTEDQLNEVLE--KVTVYARVSPENKIRIVRAWQNKGHISAMTGDGVNDAPALKQADIGIAMG-TGTDVAKDAAAMVLTDDNFASIVSAVEVGRNVFDNIKKAISYLFAGNLGAIIAIIFALVADWSNPFTALQLLFINLVNDSLPAIALGTEKAEPATMNRPPRDPN-SGIFTDKTLISVTYR-GVLIGIAVIFAQWLGMQ--------------------------------------HSPEFGVAMSFSTLIWCRTLQTFPARSNTQTAIQAGFFSNRSVLLAVVVCSALYC-LTMIPGLKEVFSIP-SAFGLTEVFTCMGIALVTIVLMEITKLIIVRVQGNK 2ZXE Chain:A ((44-1020)) ------VSMDDHKLSLDELHNKYGTDLTRGLTNARAKEILARDGPNSLTPPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYGIQAATEDEPANDNLYLGVVLSTVVIVTGCFSYYQEAKSSRIMDSFKNMVPQQALVIRDGEKSTINAEFVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPEFSS--ENPLETRNIAFFSTNCVEGTARGVVVYTGDRTVMGRIATLASGLEVGRTPIAIEIEHFIHIITGVAVFLGVSFFILSLILGY----------SWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQI-HEADTTENQSGAAFDKTSATWSALSRIAALCNRAVFQAGQDNVPILKRSVAGDASESALLKCIELCCGSVQGMRDRNPKIVEIPFNSTNKYQLSIHENEKSSESRYLLVMKGAPERILDRCSTILLNGAEEPLKEDMKEAFQNAYLELGGLGERVLGFCHFALPEDKYNEGYPFDADEPNFPTTDLCFVGLMAMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETIEDIAARLNIPIGQVNPRDAKACVVHGSDLKDLSTEVLDDILHYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLVFIIGNVPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFSYFVILAENGFLPMDLIGKRVRWDDRWISDVEDSFGQQWTYEQRKIVEFTCHTSFFISIVVVQWADLIICKTRRNSIFQQG-MKNKILIFGLFEETALAAFLSYCPGTDVALRMYPL--KPSWWFCAFPYSLIIFLYDEMRRFIIRRSPGG-

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 : 4761 -43245 -9.08 -49.99 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -9.08 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.465

(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: