Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYLTAGESHGPRLTAIIEGIPAGLPLTAEDINEDLRRRQGGYGRGGRMKIENDQVVFTSGVRHGKTTGAPITMDVINKDHQKWLDIMSAEDIEDRLKSKRKITHPRPGHADLVGGIKYRFDDLRNSLERSSARETTMRVAVGAVAKRLLAELDMEIANHVVVFGGKEIDVPENLTVAEIK-QRAAQSEVSIVNQEREQEIKDYIDQIKRDGDTIGGVVETVVGGVPVGLGSYVQWDRKLDARLAQAVVSINAFKGVEFGLGFEAGYRKGSQVMDEILWSKEDGYTRRTNNLGGFEGGMTNGQPIVVRGVMKPIPTLYKPLMSVDIETHEPYKATVERSDPTALPAAGMVMEAVVATVLAQEILEKFSSDNLEELKEAVAKHRDYTKNY 1SQ1 Chain:A ((8-358)) LKFTSFGESHGVAVGCIIDGMPAGVKFDEEFLQNELDKRKG------------DKAQVLSGVFEGYTTGHPIAIVVF------------------------------------------------------SARESVARVAGGAVAAMLLREFDICVQSGVFGVG----TFVSNLKEEEFDFEFAKKSEIFCLDPKLESDFKNEILNARNSKDSVGAAVFTKVSGMLIGLGE-VLYD-KLDSKLAHALMGINAVKAVEIGEGINASKMRGSCNNDAL----KDG-KFLSNHSGGILGGISNGENLILKTYFKPTP---------------------GRHDPCVGVRGSVVASAMVRLVLADCLLLN-ASANLNNLKNA-----------

General information: TITO was launched using: RESULT: Template: 1SQ1.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 : 1524 -82641 -54.23 -297.27 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -54.23 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_1SQ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQ1-query.scw PDB file : Tito_Scwrl_1SQ1.pdb: