Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPELQRSITWIQGTALTIGAVLGCGILILPSVTADTAGPASLFVWVFMSFLSFFLVGTLARLVKIAPSAGGITAYVQLAFQKKAG---AILGWIMLGSVPIGVPIIALTGAHYVSYITEAADWQITLIAGC--MLAISILLHMRGIQLSANISTLVICVIVFLLVTSIAVSLPHVTIAEFKPFLPHG------WSAAG--------SVSVMIFFSFVGWEMITPLAEEFHRPEKDVPLS----LFLAASCVAGLYIMLSFVTVGTHSYGENGEIASLAMLISKGAGESGVYVTVCLALFITFATIHANIAGFSRMVYALAREGHIPVFFGKLSATKRTPIRVLTAMAAVFGLVLAAHGLFQIDLTTLLKGPSAAFIASYICTMAAALKLLGRRDIGWWMALGAFVACAVIYSFSGWALLYPAVLAAAGYFYMKTKGGHKKKLDHVL 3OB6 Chain:A ((16-244)) --------------TLMVSGNIMGSGVFLLPANLASTGGIA-IYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWL---ACWIGAIAMVVIGVGYLSYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITRVQA----------VATVLALIPIVGIAVFGWFWFRGETYMAAWNVSGLGTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVC----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OB6.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 : 662 -101620 -153.50 -508.10 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -153.50 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.092

(partial model without unconserved sides chains): PDB file : Tito_3OB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OB6-query.scw PDB file : Tito_Scwrl_3OB6.pdb: