Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRNDLRNIAIIAHVDHGKTTLVDQLLHQAGTFRANEQ--VAERAMDSNDLERERGITILAKNTAINYKDTRINILDTPGHADFGGEVERIMKMVDGVVLVVDAYEGCMPQTRFVLKKALEQNLNPVVVVNKIDRDFARPEEVIDEVLDLFI-----------------------------------------------------------EL------------DANEE------------QLEFPVVYASAINGTASLDPKQQDENMEALYETIIKHVPAPVD-NAEEPLQFQVALLDYNDYVGRIGIGRVFRGTMKVGQQVSLMKLDGTAKSFRVTKIFGFQGLKRVEIEEAKAGDLVAVSGMEDINVGETVCPVDHQ--DPLPVLRIDEPTLQMTFVVNNSPFAGREGKYVTARKIEERLQSQLQTDVSLRVEPTASPDAWVVSGRGELHLSILIENMRREGYELQVSKPEVIIKE-ID-----------------------------------------------------------------------------------------------------------GVRCEPVERVQIDVPEEHTGSVMESMGARKGEMVDMINNGNGQVRLIFTVPSRGLIGYSTEFLSLTRGFGILNHTFDSYQPMQAGQVGGRRQGVLVSMENGKATSYGIQGIEDRGVIFVEPGTEVYEGMIVGEHNRDNDLVVNVSKMKQQTNVRSATKDQTTTIKKARIMSLEESLEYLNEDEYCEVTPESIRLRKKILNKNEREKAAKKKKTAGLS 2DY1 Chain:A ((6-652)) ---GAMIRTVALVGHAGSGKTTLTEALLYKTGAKERRGRVEEGTTTTDYTPEAKLHRTTVRTGVAPLLFRGHRVFLLDAPGYGDFVGEIRGALEAADAALVAVSAEAGVQVGTERAWTVAERLGLPRMVVVTKLDKGGDY-YALLEDLRSTLGPILPIDLPLYEGGKWVGLIDVFHGKAYRYENGEEREAEVPPEERERVQRFRQEVLEAIVETDEGLLEKYLEGEEVTGEALEKAFHEAVRRGLLYPVALASGERE----------IGVLPLLELILEALPSPTERFGDGPPLAKVFKVQVDPFMGQVAYLRLYRGRLKPGDSLQSE-A----GQVRLPHLYVPMGKDLLEVEEAEAGFVLGVPKAEGLHRGMVLWQGEKPESEEVPFARLPDPNVPVALH----PKGRTD--EA---RLGEALRKLLEEDPSLKLERQEETGELLLWGHGELHLATAKERLQDYGVEVEFSVPKVPYRETIKKVAEGQGKYKKQTGGHGQYGDVWLRLEPASEYGFEWRITGGVIPSKYQEAIEEGIKEAAKKGVLAGFPVMGFKAIVYNGSYHEVDSSDLAFQIAASLAFKKVMAEAHPVLLEPIYRLKVLAPQERVGDVLSDLQARRGRILGMEQEG-ALSVVHAEVPLAEVLEYYKALPGLTGGAGAYTLEFSHYAEVPPH------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DY1.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 : 2547 -211186 -82.92 -468.26 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -82.92 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_2DY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DY1-query.scw PDB file : Tito_Scwrl_2DY1.pdb: