Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTAYQDARSWIHGRLKFGVKPGLGRMKQLMARLGHPEKKIRAFHVAGTNGKGSTVAFIRSMLQEAGYTVGTFTSPYIITFNERISVNGIPISDEEWTALVNQMKPHVEALDQTEYGQPTEFEIMTACAFLYFAEFHKVDFVIFETGLGGRFD-STNVVEPLLTVITSIGHDHMNILGNTIEEIAGEKAGIIK---EGIPIVTAVTQPEALQVIRHEAERHAAPFQSLHDA-CVIFNEEA---LPAGEQFSFKTEEKCYEDIRTSLIGTHQRQNAALSILAAEWLNKENIAHISDEALRSGLVK-AAWPGRLELVQE----HPPVYLDGAHNEEGVEKLAETMKQRFANSRISVVFSAL--KDKPYQNMIKRLE-TIAHAIHFASFDF--PRASLAKDLY----D--ASEISNKSWSEDPDDVIKFIESKKGSNEIVLITGSLYFISDIRKRLK 4BUB Chain:A ((99-459)) ------------------------------------PWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAV-----KRIL--GNSYYDD--------------------ITTPDAITILSAMKE--NREG-GGKFFALEVSSHALVQQRVEGVRFDVGIFTNISRDHLDFHG-TFENYLKAKLHLFDLLKDDGVAVLNESLADAF---NR-----KSRKITFGTSKNADYRLGNIEVSWEGTQFVLETP-DGLLKVFTRAIGDFNAYNAAAAIAALHQLG------YDPKDLASSLETFTGVEGRFEVVRGAKKIGLNVVVDFAHSPDALEKLLKNVRKIS-QGRVIVVFGAGGNSDRGKRPMMSEVASKLADVVILTTDDPRGEDPEQIMEDLIKGIDKRKPYLVLFDRREAIET----ALTIANRGDSVVIAGRGHERYQ------

General information: TITO was launched using: RESULT: Template: 4BUB.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 : 1832 -813 -0.44 -2.41 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -0.44 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_4BUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BUB-query.scw PDB file : Tito_Scwrl_4BUB.pdb: