Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEKISRRELIQKSLLGFGALSIPVAFTGCNDGSDDESPEIQADFLHGVASGDPLQDKVILWTRVTPTVSGVRLKVVWEISTDNQFKQNLKTGMVETSKTDDFTVKVDAAGLQADTVYYYRFKFGNKVSPVGQTKTLPTSTNKVSFAVCSCSNYPAGYFYVYREMAKQNVDVIIHLGDYIYEYGADGYATEDAIKLGRNLPADNNKEIIKLNDYRKRYALYRQDKDLKAAHQRHPFIVIWDDHELANDAWREGAENHQSNEGVFSDRKLAALQAYFEWMPIRPVSSTDHLNIYRQFNFGSLVQLTMLDTRIIARDKQLAYADYMTTTGLDIAKFQADLTNPVRTLMGYTQRDWLVDKLKQSTATWNVVGQQVLMSKMWIPAELLASLGQITSGGTSPDALAKMNAQITELVALKLRLQQNDPTLTAQEKARIMTVAPYNLDAWDGYYAEREFVYDKLAEFNKKIIVLAGDTHNAWASYLYSQKGKYVGVELATSSVSSPGLEKYLSIPLAQLQ-QFEFAFTTLIDELVYCNLNQRGYLLVTLDQVQVHSEWRFVDSIKNTEYQIDSSRQNDIVLDLNLMPLKQGQKTA--- 4UQU Chain:A ((1-462)) AEKEKNAAEIRQQFAMTAGSPIIV-------NDKLERYAEVRTAFTHPTSFFKPNYKG-----EVKP----------WFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNI--------------------------YPNRFFMLWSGETMTNTQLWAPVG------------------LDRRPP--DTTDPVELTNYVKFAARMAGADLVGVARLNRNWV------------YSEAVTIPADVPYEQSLHKEIEKPIVFKDVPL-PIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYS-RMCMFDMWLCQFIRYMGYY------------AIPSCNGVGQSVAFAVE-------AGLGQASRMGACITPEFGPNVRLTKVFT-NMPLVPDKP-----------------IDF--GVTEFCETCKKCARECPSKAITEGPRTFEG--RSIHNQSGKL------------------------QWQNDYNKCLGYWPESGGYCGVCVAVCPFTK-GNIWIHDGVEWLIDNTRNITEVWDGKINTYGLDADHFRDTVSFRKDRVK

General information: TITO was launched using: RESULT: Template: 4UQU.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 : 2534 -36944 -14.58 -84.15 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -14.58 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.148

(partial model without unconserved sides chains): PDB file : Tito_4UQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UQU-query.scw PDB file : Tito_Scwrl_4UQU.pdb: