Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFPHHTEHHAIQRSGWLRASVLGANDGIISVTSLIMGMAASGASSHTLFITCVAGLISGATSMAAGEYISVKSQEDIEKSDLAIEAKELKKYPQKELDELTQIYISRGLSKELAKEVAIQLTTHDALG------------AHARDEIGIHENTAANPIQAALSSAASFSFGAF--------------FPMLAILFSPEHL--------IMPSVLITGIAALAILGALSSYFAGTSKIKGSLRITL-WGILAMAFSSWIGSLFNVTPL------------------------------------------------------------------------------ 5FUB Chain:A ((1-337)) GDAWQDDEYFGNYGTLRLHLEMLSDKPRTETYRQVILSNSAALREKVVLDLGCGTGVISLFCALLA----KPAGVYAVEASSMAEHTEELVKQ--NGCDGVVTVFQERAENLTLPTKVDVLVS--EWMGNCLLFEYMLESVLLARDRW-LKKGGMMWPSSACLTIVPCQAFSDYRQKVEFWENPYGLNFSYLQSLAQKEFLSKPKFSHHLQPEDCLSTPADVITLDMVTIQVSDLERLKGEFTFTVEKSGMFHGFTVWFSAHFQCLEEDGPSIELNTGPYSEITHWKQTLFMLDAPVSVEEGDIIAGSIRLQRNPIWRRHLSITFLWNINSTEVSTVKTKCFPMWR

General information: TITO was launched using: RESULT: Template: 5FUB.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 : 912 -81809 -89.70 -365.22 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -89.70 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.045

(partial model without unconserved sides chains): PDB file : Tito_5FUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FUB-query.scw PDB file : Tito_Scwrl_5FUB.pdb: