Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDFLHHILSTYASFFDWKMWGEVLTDPVSWGLIGSLVVLEGLLSADNALVLAVMVKHLPEKQRKKALTYGLFGAYIFRFIFIGLGMLLIKFWWIKVLGALYLAWLVIKHFWIGEKEEEADGMKKNSWMVRTFGIFWATVISVELMDLA----FSVDSILAAFAVSEKVWVLLIGGMLGILMMRTVAKVFLVLIDKIPELENTAFVLIGIIALKMAGSAFHYEMPHSVFFIIIIAAFAVTLIIHYINKQKQVREQTAASKEE-------------------------------------------------------------------- 4IWS Chain:A ((23-515)) MNRSALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVYERRAPAPLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRRLGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQTNG-------LWVPANTEIVLEGEISLDETALE------------------GPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVA-----GTPPEENHTI-------------WGTMISAQLLDVAQNAGLPVDMVWCSYEAATCWAVLSID------------------VQRLAALGTDAAAFAARVAETVFGS----HAGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGF

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 : 686 -118052 -172.09 -614.85 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -172.09 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.170

(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: