Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPCHKEPIKKELVTLNYRNDIRNVAIIAHVDHGKTTLVDELLKQSDTLDAHTQ--LQERAMDSNALEKERGITILAKNTAVDYKGIRVNIMDTPGHADFGGEVERIMKMVDGVVLVVDAYEGTMPQTRFVLKKALEQHITPIVVVNKIDKPSARPEHVVDEVLELFIEL-----------------------------------------------------------------------GADDD------------QLDFPVIYASALNGTSSLSDDPADQEPTMAPIFDTIIEKIPAPVD-NSDEPLQFQVSLLDYNDYVGRIGIGRVFRGTIKVGDQVALIKLDGTVKKFRVTKLFGFFGLKRLEIQEAKAGDLIAVSGMEDIFVGETVTPVDHQ--DALPILHIDEPTLQMTFLVNNSPFAGREGKFVTARKIEERLMAELQTDVSLRVEPTNSPDAWTVSGRGELHLSILIENMRREGYELQVSRPEVIEKE-ID-----------------------------------------------------------------------------------------------------------GVKCEPFERVQIDTPEEYMGSVIESLSLRKGEMQDMVHTGNGQIRLTFLTPARGLIGYSTEFLSMTRGYGIMNHTFDQYLPMLPGQIGGRHQGALVSIDTGKATTYSIMSIEERGTVFVEPGTEVYEGMIIGENSRDNDLTVNITKAKQMTNVRSATKDQTSVIKKPKQLTLEESLEFLNDDEYCEVTPESIRLRKQILEKNAREKASKKKK 2DY1 Chain:A ((6-652)) -----------------GAMIRTVALVGHAGSGKTTLTEALLYKTGAKERRGRVEEGTTTTDYTPEAKLHRTTVRTGVAPLLFRGHRVFLLDAPGYGDFVGEIRGALEAADAALVAVSAEAGVQVGTERAWTVAERLGLPRMVVVTKLDKGGD-YYALLEDLRSTLGPILPIDLPLYEGGKWVGLIDVFHGKAYRYENGEEREAEVPPEERERVQRFRQEVLEAIVETDEGLLEKYLEGEEVTGEALEKAFHEAVRRGLLYPVALASGER------------EIGVLPLLELILEALPSPTERFGDGPPLAKVFKVQVDPFMGQVAYLRLYRGRLKPGDSLQSE-A----GQVRLPHLYVPMGKDLLEVEEAEAGFVLGVPKAEGLHRGMVLWQGEKPESEEVPFARLPDPNVPV----ALHPKGRTD--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 : 2638 59975 22.74 132.98 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 22.74 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.421

(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: