Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRLV-----YYQFLHNKKQWLGVSPVIFVSSLVMGLAVNGVINVENNSQVFVGLPDPKPIFMF-----------PIVFGGVTLFFVL------SNIINMLVEIFRDDYELLEVLGASRLQLSFLVGGQIFIISSIISFIAYLCSIFVTSNYYYFLQYFFGENILPDIQFQTSAVGCIITVVLISFLA--FLSGCFYTFKKIRNRKSSKIRHVLSIVKRILLLAGFSVIWLLSLQQIFQDSTILAKAQIIFNIVILDIVIIYQLSPFIQSCFIKLLSIIIFRNNFMFIVSKWNLLYCKSYIKSISAAITGAILLISSFQMISQNILS-QFQDDSDLELKVAFIVYVGAPILIVLAN---IISIAFLSSHQER------IEIQQFEILGTSNYQMVKIKVGEAIFLTFVTSLIAFLL------NIKIMALIYYSLEDIL-----------IDDMNLL-------------GLILPNFIVSIILFILIFITKSSYFIFKNAKIIS----------- 4IWS Chain:A ((23-515)) MNRSALDFRHFVDHLRRQGDLVDVHTEV-DANLEIGAITRRVYERRAPAPLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQV----DLTRFPVPL--LHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRRLGKPTPWAMAL--------GAPPAALAAAGMPLPEGV--SEAGYVGALVGEPVEVVR---TQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHTIWGTMISAQLLDVAQNAGLPVDMVWCSYEAATCWAVLSIDVQRLAALGTDAAAFAA-RVAETVFGSHAGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGF

General information: TITO was launched using: RESULT: Template: 4IWS.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 : 2568 -193516 -75.36 -462.96 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -75.36 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_4IWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IWS-query.scw PDB file : Tito_Scwrl_4IWS.pdb: