Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEALARHDRFGEDFSKVFTIINSAEIPAVENSALYLFVGTSRAPDEASKYVRDRVAQNAQSSTLEETLHSIHEELKILSKKMTREDPMNLDPEIEAALYERDGGCCFITGRTAGVQPIYIIPPSILEDKDLQPGGYLRPLLEVSLTKEGTEQMLNLLGLPGRENVLKNLILMEPSIRYSFRHGYFEIIKSPYLEPPYLPTDAPKSKNGGWWLQPIAPQSEVPQIIPRNNELYKVPSTINPISHPLPARLLLKTHGIVSHPLHTIYIEEQIKAGWPVEPEPKELNWVGRLLLQILLRLIPNF---ARIRLYELIYKMVDYWDPSQKGSHVKFLPLGLVLKKGRENTENEAKALTLAEQYISISTPRLIDSVMVNKTSGFILMTKVVGRSLSSILHRITWEELEQIGKDLANFITELRRIPNSSKYLIADTRGGPISDHRFFYQTWGPFKTVSGFTDRLLQDVKGARDKPPLSFLYE---KKHKVYFTHSDIHMTNLFVTCGRLSGVVDWENAGFKPEYWEYIRAMWAYGADKHAKCLYGSAFGDKYKEEGGIEITAVWIGFSLTTFSGFSGLIFEQLIRLRNEYLPLAQGKISPDVNPGHLCSTAKTSYTSAFARWEAVPARPMPTSQSGPITAKDAFKG 5UBP Chain:A ((11-479)) ----PDKKKKYMINDAKTIQLVG----PLISSPDNLGFQKRSHKARELPRFLINQEPQ--------------------LEKRAFVQDPWDKANQEKMISLEESIDD--LNELYETLKKMRNTERSIMEEKGLVDKADSAKDLYDAIVFQGT------------------CLDMCPTFERSRRNVEYTV----YSYEKNQPNDKK------------ASRTKALKVFARPAAAAAPP----LPSDVRPPHILVKTLDYIVDNLLTTL------------PESEGFLWDRMRSIRQDFTY-QNYSGPEAVDCNERIVRIHLLILHIMVKSNVEF-------SLQQELEQLHKSLITLSEIYDDVRSS----GGTCPNEAEFRAYALLSKIRDPQYDENIQRLPKHIFQDKLVQMALCFRRVISNSAY----TERGFVKT-----------ENCLNFYARFFQLMQSPSLPLLMGFFLQMHLTDIRFYALRALSHTLN----------------KKHKPIPFIYLENMLLFN-----------------NRQEIIEFCNY---YSIEIINGD---------AADLKTLQHYSHKLSET-------QPLKKTYLTCLERRLQKT------------TYKGLING

General information: TITO was launched using: RESULT: Template: 5UBP.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 : 2000 -3833 -1.92 -8.28 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -1.92 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.124

(partial model without unconserved sides chains): PDB file : Tito_5UBP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ubp-query.scw PDB file : Tito_Scwrl_5UBP.pdb: