Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MKKPVPKIYRTTNWSSYNQALIKRG------NISIWFDPKTQWYAQPQGKHGRNQTYSDAAIQCCLM---------------IKSLFRLSLRMVTGFAQS------LIKLCGLNWTAPDYSTLC----RRQKRIDIAISYQQSR--DGLHLLVDSTGLKFLGEGEWKRKKHQPAYRRQWRKLHIGI-----------------DAKTL--QIRAVQLTTNNVSDSQVLGDLLDQIPLDERIDSVYTEGAYDTK-------HCRQVILDRDAHAVIPPRKNAKPWKDKKLR-SLERNELLKTVKRLGRSLWKKWSGYHRRSLVETKMHCIK---------------------- 3BXW Chain:A ((33-393)) TLLEKSQFSDKPVQDRGLVVTDLKAESVVLEHRSYCSAKARDRHFAGDVLGYVTPWNSHGYDVTKVFGSKFTQISPVWLQLKRRGREMFEVTGLHDVDQGWMRAVRKHAKGLHIVPRLLFEDWTYDDFRNVLDSEDEIEELSKTVVQVAKNQHFDGFVVEVWNQLLSQRVGLIHMLTHLAEALHQARLLALLVIPPAITPGTDQLGMFTHKEFEQLAPVLDGFSLMTYDYSTAHQPGPNAPLSWVRACVQVLDPKSKWRSKILLGLNFYGMDYATSKDAREPVVGARYIQTLKDHRPRMVWDSQASEHFFEYKKSRSGRHVVFYPTLKSLQVRLELARELGVGVSIWELGQGLDYFYDLL

General information: TITO was launched using: RESULT: Template: 3BXW.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 : 1199 27843 23.22 103.12 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 23.22 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.145

(partial model without unconserved sides chains): PDB file : Tito_3BXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BXW-query.scw PDB file : Tito_Scwrl_3BXW.pdb: