Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFIEKGQEIDMEVIKAETQLSAEALRLKESRDRELADIISGEDDRILLVIGPCSSDNEEAVLEYARRLSALQKKVADKIFMVMRVYTAKPRTNGDGYKGLVHQPDTSKAPSLINGLQAVRQLHYRVITETGLTTADEMLYPSNLILVDDLVSYHAVGARSVEDQEHRFVASGIDAPVGMKNPTSGNLGVMFNAIYAAQNKQTFLY-----HGQEVETSGNPLAHVILRGAVNEYGNYMPNYYYENLLQAIERYETMGLENPFILIDTNHDNSGKQYMEQIRIVRQTLQNRDWNEKIKKTVRGFMIESYLADGRQNQPEIFGCSITDPCLGWENTEALVEEIYVTLTK 5DCE Chain:B ((27-336)) -----------------ELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTT-VGWKGLINDPHLDGTFDINFGLRQARSL-LLSLNNMGMPASTEFLDMITPQYYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKE------PNYDAEHVSEAAEQLRAAGVTDK-LMIDCSHANSRKDYTRQMEVAQDIAAQL---EQDGGNIMGVMVESHLVEGRQDKPEVYGKSITDACIGWGATEELL---------

General information: TITO was launched using: RESULT: Template: 5DCE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1698 -51363 -30.25 -168.40 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -30.25 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_5DCE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DCE-query.scw PDB file : Tito_Scwrl_5DCE.pdb: