Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDTAMARLNEGTIVIYALSVLFYFIDFLQHNRKAGKMAFWLLSIVWTLQTVYLAYFMWVTGRFPVLNVTEALYFYAWVLVTLSLVLTKL-----LRVDFIVFFTNVIGFSMIAIHTFSPTEQQSAAFSGQLVSELLVIHITMAILSYGAFSLSFVFSVLYMFQYHLLKKKKWGKWLLRIEDLSKLDYMAYVLNVIGVPMLLLS--LILGVIWAYVSLETLYWFDAKVLGSFVVLLLYSYYLYIRLIKELQGKVAALWNTACFLVLMINYFLLGSLSQFHWFS---- 3TUR Chain:A ((29-286)) HLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKA------IKITTNPPVEGAFYWLNNR--EVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATAD-DNTKILTVRVNGEVVKSMPT---SMGKDSTPTANGIYI--VGSRYKHIIMDSSTYG--------VPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGH----TNTSHGCLNVSPSNAQWFYDHVKR---GDIVEVVNTVGGTLPGIDGLGDWNIPWDQWRAGNAK

General information: TITO was launched using: RESULT: Template: 3TUR.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 : 1418 -151371 -106.75 -612.84 target 2D structure prediction score : 0.17 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -106.75 2D Compatibility (Sec. Struct. Predict.) : 0.17 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.139

(partial model without unconserved sides chains): PDB file : Tito_3TUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUR-query.scw PDB file : Tito_Scwrl_3TUR.pdb: