Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESRLMKNKRYFFDTILIILLLISTIFCVSPVFIKLDILGTPSHAILTFVLAIPLFYI-----LSQCLHTLLLLV------SSIFCKLRPIYFYFIFVIIIGARK----YYRILFHQLMGFSPGIAVFYKESQTTKNLFKFYYFLYFTTLISYYFFFTFVYDKPLLLPLISFSIIIALVQKLYRIENQQLFLLKSKVLTILESKKNCEFNLQDYHEIWKLQSKSELPCVALSYISLIKPYLSESVREQIDLLEVKRFKKINHPISLYGMLDVIKLNLYLRHYNEKNKYESMLKKILEVRPDFVLIEQNIDDSLNSSQPLSLSLAISEIQLLLEVYMGIKHVSIRR 5FYP Chain:A ((2-298)) QESPAFIDPASW-NTPFNGIAQVACHNCYEKQY------ANTFSSVLDSVRTLELDFWDQRDAVSGGSPHHWFVRHNPGSGNDNNCTKNDLEACLNDVKNWSDKHPGHFPITLILDKKQGWSK-----ESSGRTPKDFDELVARVFQGKLFTPQDLATHIG-----------SGAGALQGNLKGKSWPTANDLQGKVLLVLN------------HS-----ENQKLSQYAEARTSKAKVFISPVTNGQNDISG--KVSGMSSQSSGYVAMNNMG-----------KGDKSWAKQAFAYSHIGRVWG---DDEVSFAQHINQKINLSAYYRFAAQSAGGYRIRPF-

General information: TITO was launched using: RESULT: Template: 5FYP.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 : 1609 -40017 -24.87 -146.58 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -24.87 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_5FYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FYP-query.scw PDB file : Tito_Scwrl_5FYP.pdb: