Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKD-------GVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFV-YREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV 1CQX Chain:B ((1-400)) MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRTYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVAL-QAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDL------

General information: TITO was launched using: RESULT: Template: 1CQX.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 : 1828 -212608 -116.31 -542.37 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -116.31 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_1CQX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CQX-query.scw PDB file : Tito_Scwrl_1CQX.pdb: