Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVCQHNDELEALVKKAKKVTDKGEVASYIPALAKADKHDLSVAIYYSNNVCLSAGDVEKTFTLQSISKVLSLALVLMEYGKDKVFSYVGQEPTGDPFNSIIKLETVN-PSKPLNPMINAGALVVTSLIRGRTVKERLDYLLSFIRRLTNNQEITYCREVAESEYSTSMINRAMCYYMKQYGIFEDDVEAVMDLYTKQCAIEMNSLDLAKIGSVFALNGRHPETGEQVISKDVARICKTFMVTCGMYNASGEFAIKVGIPAKSGVSGGIMGISPY----------DFGIGIFGPALDEKGNSIAGVKLLEIMSEMYRLSIF 1MKI Chain:A ((19-330)) ------LQLHDWVEYYRPFAANGQSAN---------DSQLGICVLEPDGTMIHAGDWNVSFTMQSISKVISFIAACMSRGIPYVLDRVDVEPTGDAFNSIIR-LEINKPGKPFNPMINAGALTIASILPGESAYEKLEFLYSVMETLIGKR-PRIHEEVFRSEWETAHRNRALAYYLKETNFLEAEVEETLEVYLKQCAMESTTEDIALIGLILAHDGYHPIRHEQVIPKDVAKLAKALMLTCGMYNASGKYAAFVGVPAKSGVSGGIMALVPPSARREQPFQSGCGIGIYGPAIDEYGNSLTGGMLLKHMAQEWELSIF

General information: TITO was launched using: RESULT: Template: 1MKI.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 : 1819 -192497 -105.83 -659.24 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -105.83 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_1MKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MKI-query.scw PDB file : Tito_Scwrl_1MKI.pdb: