Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTTASITTAQWQQKRDQFVSKGVSNGNRSLAVKGEGAELYDLDGRRFIDFAGAIGTLNVGHSHPKVVEAVKRQAEELI--HPGFNVMMYPTYIELAEKLCGIAPGSHEKKAIFLNSGAEAVENAVKIARKY-------TKRQGVVSFTRG-FHGRTNMTMSMTSKVKPYKFGFGPFAPEVYQAPFPYYYQKPAGMSDESYDDM--VIQAFNDFFIASVAPETVACVVMEPVQGEGGFIIPSKRFVQHVASFCKEHGIVFVADEIQTGFARTGTYFAIEHFDVVPDLITVSKSLAAGL-PLSGVIGRAEMLDAAAPGELGGTYAGSPLGCAAALAVLDIIEEEGLNERSEEIGKIIEDKAYEWKQEFPFIGDIRRLGAMAAIEIVKDPDTREPDKTKAAAIAAYANQNGLLLLTAGINGNIIRFLTPLVISDSLLNEGLSILEAGLRA 2BYL Chain:C ((64-432)) ----------------------------------RGKGIYLWDVEGRKYFDFLSSISAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLF------NYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYD-GFGPFMP---------------GFDIIPYNDLPALERALQD--------PNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHFSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSD--VVTAVRGKGLLNAIVI------KETKDWDAWKVCLRLRDNG--LLAKPTHGDIIRFAPPLVIKEDELRESIEII------

General information: TITO was launched using: RESULT: Template: 2BYL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1981 -225688 -113.93 -633.95 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -113.93 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_2BYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BYL-query.scw PDB file : Tito_Scwrl_2BYL.pdb: