Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSDYVDDESSVRINRKMELIKVPDES-AGNAMIGISYLTREDGKIIADRIKELCNESRYNNSFWEEALYIKDKMMVSAKTVSSKDVIEINTYEQLREIDENSDQLDTDAISVICEAFKINKNDIYNITVLK--KGMTNRSFLFECKGKKYIMRIPGEGTDMLINRREEAEVYNVVNKEKICD-NVIYINPDNGYKITEFIENSRVCDPFNEDDVKRCMDKLRTFHNLKLKV----NHEFNILGQMKFYESLWNEKSVYDDYELTKANVLSLKKYVEDNVSEKVLTHIDAVPDNFLFAGDEIRLIDWEYAGMHDPHVDIAAA-AGMQDPHVDIAMFAIYSLYDREQTDRLIDAYFTGNCD--KKTRLKIYCYIAMCGLLWSNWCEYKRQLGVEFGEYSLRQYRYAKDFYRIFINESEQIKEELK 4Q05 Chain:A ((34-360)) --------ENSWQIGPR----TLPAPSGASDVLYNIISKTPTPVPTINLNLV------PRTESEWRAAITQLDE----------------GKVDMAREISKQL--------SVSVEHGVIEGVSVYYVTPVEVAPDLEDKLFVHTHGG-------------AFVLNGGEAGTIEAIVIATLAKVRVLSID---------YRMPPSHPAPAARDDVFTVYQHLLKQGSAQKIALGGSSGGANLT--MGLVQHLIEQ-------EVDLPGALFLGTPGADMSKTGDSYYINDGIDRNLVT----------YDGFLEAAVRLYANGRDLKDPLVSPLYGDLHGFPP--------TFLITGTRDLLLSATVRTHIKLRQSGVV-ADLFVYE---GIAHGDYAVDLT--APETQHAFAELNAFLLQHLR

General information: TITO was launched using: RESULT: Template: 4Q05.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 : 1858 -3306 -1.78 -10.46 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -1.78 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_4Q05.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4q05-query.scw PDB file : Tito_Scwrl_4Q05.pdb: