Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSASPSLQVTAFEGNRCIASGPLASVAEKIKEVLARGEAASVLVFDDQTGSQVDLNLRTLSEAAQGMPTPLIAPEPLESRNAGRPRLGVVAREVTLLPRQWEWLGQQQGGASATLRKLVDQARRENAGEEKIRAAREALYRFMTAMAGNAPGYEEALRALFAGDVHRFSILTSDWATDVRKHVGKLAPAAFGYAPSPLDVVIPLTKREAVLRAFGTAEVQSIERITNGASGAGVFKVKANQVDYLLRIEGPPDGLRDPARQYACLKIAAEAGV-APRLVYADA--------ESGVAVTDFIAPDSASVERSKADSLRRIVTAVRSLHDAPLFPELV--D--YLDGVDTLIRSCMETG-ILPKRAIETHRKFYGELAAAYPRKNLDLVSSHNDLNPGNVLFQKE-RVWLVDWESAFAADRYVDLAAIANFFTT------EENEKELVLESYFGAALND-LHRARFFLMQQANRMFYAMVVLNFVAAAEPAIKLTAAGMKGIRWSEVRGEMARINTTETKVRFAGALLNEALLAFQSPRFSQAVAQVKGSSKRRGA 2PPQ Chain:A ((7-281)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITEDELRNFLTQYDVGSLTSYKGIAE----NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRK--PEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHW-PKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRL--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1060 -86317 -81.43 -349.46 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -81.43 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.208

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: