Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPE-----DSKPLPEFQAGQYISIKVR--IPDSEYTHIRQYSLSDMPGKDYYRISVKKD--------GVVSSYLHDGLQEGDSIEISAPAGDFVLD----HASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV 4G1B Chain:C ((1-398)) MLAEKTRSIIKATVPVLEQQGTVITRTFYKNMLTEHTELLNIFNRTNQKVGAQPNALATTVLAAAKNIDDLSVLMDHVKQIGHKHRALQIKPEHYPIVGEYLLKAIKEVLGDAATPEIINAWGEAYQAIADIFITVEKKMYEEAL-----WPGWKPFEITAKEYVASDIVEFTVKPKFGSGIELESLP-ITPGQYITVNTHPIRQENQYDALRHYSLCSASTKNGLRFAVKMEAARENFPAGLVSEYLHKDAKVGDEIKLSAPAGDFAINKELIHQNEVPLVLLSSGVGVTPLLAMLEEQVKCNPNRPIYWIQSSYDEKTQAFKKHVDELLAECANVDKIIVHTDTEP-----------LINAAFLKEK-SPAHADVYTCGSLAFMQAMIGHLKELEHRDDMIHYEPFGPKMSTVQ--

General information: TITO was launched using: RESULT: Template: 4G1B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1923 -226949 -118.02 -598.81 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -118.02 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_4G1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G1B-query.scw PDB file : Tito_Scwrl_4G1B.pdb: