Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MLLVYTLIAIVALIVMIAKFRIYPFLVLIIVSLGLALAVGMPMDGIVKSYEAGTGKTLGHLAIVIALGSMLGKMMAESGGAERIAIALIKWFGEKHIHWAMMFIALIVGLPVF-FEVGFVLLIPIAFNIAKRTGKSLLIVGLPMVAGLSVVHGLIPPHPAALLAVQAYHADIGKTIMYSLLVGVPTAVVAGPLYALWINKYVKLPENNPLAKQFVE-ADANNTRELPSFGITLFTIMLPVALMLVGSWADVFFAPKTFPNELL-RFIGTSDI--ALLIAVLVSFITFG---TMQGFNREQIEKFCGGCLASIAGILLIVGAGGG------FGGILRDSGISNEIVSTALKANLSPLLL----GW-LVAAIIRLATGSA--TVAMATACSIVAPIAAA-----AGVVVR-PELLVLATGSGSLIFSHVNDAGFWLIKEYF-------GMTVGQTLKTWSVLETIISVLGLSFTLLLSAVL- 5T3B Chain:A ((24-481)) LPVPGPAETYPNSTKQYQPIIVEYAEKPDKAF--IEAKTRILPYLVGYEQ-TKTQDEYLQSVNKYGSYAKGQKFKAT-GRFRVEKNSNGRSWIVDPEGY--------PYYVRGIASFRMDGNSSAFGKLYSSVDDWVAKSQKQFSEIGFHSVCAFG--------KEEGDKAVNDYNKSAS-----SPLTQAPSFSFLAEFKNSKGISYPGQNVNLKIGLVFYDGWDEWCKEYLNSDAFGMFRNNPDV----LGFFSDNEIDFSTWGNRLLDRFLKISNKQDPAYIAAAKFMTDKDKSANVSDVTDELNNEFAGICAEKYYSAIKNAVKASKDPELLYLGSRLHSLPKYNSYIIKAAGKYCDVISINYYSKWSPEKGYMDGWKNQAGGTPFMVTEFYTKGEDTKLDNSSGAGFVVRDQQNRGFAYQHFTLGLLEAKNCVGWVFFKYLDDEDCNKGM-LDYNYKPYTSLTKYMSDINWNVYNLIDYFDK

General information: TITO was launched using: RESULT: Template: 5T3B.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 : 2276 -120567 -52.97 -290.52 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -52.97 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.189

(partial model without unconserved sides chains): PDB file : Tito_5T3B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5T3B-query.scw PDB file : Tito_Scwrl_5T3B.pdb: