Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------MIDTAMARLNEGTIVIYALSVLFYFIDFLQHNRKAGKM---------AFWLLSIVWTLQTVYLAYFMWVTGRFPVLNVTEALYFYAWVLVTLSLVLTKLLRVDFIVFFTNVIGFSMIAIHTFSP--TEQQSAAFSGQLVSELLVIHIT--MAILSYGAFSLSFVFSVLYMFQYHLLKKKKWGKWLLRIEDLSKLDYMAYVLNVIGVPMLLLSLIL---GVIWAYVS-----LETLYWFDAKVLGSFVVLLLYSYYLYIRLIKELQGKVAALWNTACFLVLMINYFLLGSLSQFHWFS------------------------------------------------------------------------------------- 5AYN Chain:A ((7-426)) LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLTEAINLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 961 -127540 -132.72 -462.10 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -132.72 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.195

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: