Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSERTFNWKNKDIRAQVDVVDSKLLPTLLLRNALVLNPYVKQWL-KKNIWIYQDRIVYVGHELPNR-AEEIHTIDCEGKYIVPGYIEPHAHPF-QIYN-------------------PQTLAEYVSQYGTTTFVNDNLFLLLQSGKKKALTILNELKKQPVQYFWWSRYDLQTEVLN---------E-----------------------DHVLPFDVRKQWIEH----P-DV---IQGGE-----MTGWPRLVDGDDLMLHCMQATKKQRKRIEGHFPGASDKTLTKMKLFGAD-CDHEAM-----TGDEVMRRLE-LGYYVSLRNSSIRP-----------------DVRKILQELHEKGFRYYDHFFYTTDGATPNFYKGGMTNEL--------------------IRIALEEGVPAIDAYNMASFNIAKYYQMDDYLGVVGPGRLASLNILE-DPLN-----PNPVTVLSKGTILRENGCDLKAFTKTDWHKGGLVPLELSYDMTMDDLQFSMPMGVKMRNAVIMEPYMIEIDNSMEQLSFDHDESYLTMLDRHGKWRVNTMIKGFASSVQGFVSSFTTTGDIVAIGKNKADMLLAFARMKEIGGGIVLAENGNILHEIPLALCGCASSEAYEDVLEKEQKLRDLLTERGYEFCDPIYTLLFLQSTHLPYIRITPRGIFDVMKKTVLFPSIMR 4UB9 Chain:A ((31-482)) ----------------------FEGETIAIVGGTLIDGNGGVPVPETTVFIEDGRITKVGSTDQIEVHPNIRQIDAQGKWILPGLVNGNVHLLDGIMMMGRGGIEYLARFEGNYYKVIEEAAQIALRGGVTTVFDTWNAL-EP--VTIARDRIASGAAEGARIFFAGTLIGMGGPFTGDFMRPSMQARTVMSRTFADRMDAMFEVGMGRHLSTLPPAEVRPLIREYLERGVDFCKIAVTDHLVGLLGFRAPYFTFSERVLDVLVDEVRRAGVPLLTHTTSLE--GLNTAIERDADLMIHATMTGQAPIPEETIEKLLEKQLWSEVQPTTIAQQAWMDSVDHPFADFSGRVHHENDVRMIKAG-V---PLVLGTDAGCTDP----DILEDMSQGELHERPWTLGEDHFVWMQAMVEKGMDPMAAILAGTANPAKAYRKFDELGSIDVGKLGDVVVLDQDPLADITNMRTLSHVVKEGREIDFHGLPLS------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UB9.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 : 1856 -147450 -79.44 -440.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -79.44 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4UB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UB9-query.scw PDB file : Tito_Scwrl_4UB9.pdb: