Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAI-EVKMIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQGINLSRQGGGIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSADSYEEDLLFATLDPMTRKMVLPSGYSVLLSDTVGFIQDLPTTLIAAFRSTLEEVKEADLILHLIDSSNEDY--AGHEKTVLRLLEELEADDIPMLTAYNKRDQKLPDFIP----------TA--GR-DHIMVSAKFEDDAAAFKEAIQRYLRQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM 2QTF Chain:A ((9-352)) -------------------------SKEFEEEAIALVEGANYKVTSIYKLP-KSPNVKFYIQYDKLQQIKND---EEISTLIIFEQLKPRHFINIRRELKGKEVLDKILLLLEIFALHAGSKEAKMQIELARLKYELPIIKET----------------------STIKFYKRRINKLMKELESIKI-------------IPSIGIVGYTNSGKTSLFNSLTGL-----------MSPKRYAIPIN-NRKIMLVDTVGFIRGIPPQIVDAFFVTLSEAKYSDALILVIDSTFSENLLIETLQSSFEILREIGVSGKPILVTLNKIDKINGDLYKKLDLVEKLSKELYSPIFDVIPISALKRTNLELLRDKIYQLA-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QTF.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 : 1297 -154920 -119.44 -547.42 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -119.44 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_2QTF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QTF-query.scw PDB file : Tito_Scwrl_2QTF.pdb: