Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPTDSIYAYLTAAPASGFA-----GLSVEILEHWRGDENLLWRVRAGS----------EEAVVKLFLDAGQA--RGRRQFDGQQLFAATGIAPEPLWFDRYPEGLARQVLVYRWVEGRALQPD---DADDLTALVASLAAVHGGDVATVRR--IS----PRALNLEYFWSMLSGGLKPTQQWLEKSGYPQMAAFLRELEARGQTLVAE--GLPLWHAAPPTPIHGDPRPENVVIQAGRAVLLDWELFGLGDPALEMAELLHQQRM----------------RWPGALQEHLLAEYASLSG-----D----AAVVARVQLYRKLLPLRDAAFLVSGAQQVSPTERMQPEYDQALPMLIETSTRALMESAEALDDRLVSDAANLRDEVEHLFTSHQNS 3C5I Chain:D ((12-332)) --TDPLYIKKICLEKVP-EWNHFTEDNLRVKQI--L--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTF-------NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFK-MMEKWKNQLFKYKNIEK-YNCD--IHK---YIKESDKFIKFMKVYSKSDN--LANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQ----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C5I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1000 -18723 -18.72 -70.92 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.62 3D Compatibility (PKB) : -18.72 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: