Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAIEVK-MIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQGINLSRQGGGIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSADSYEEDLLFATLDPMTRKMVLP-SGYSVLLSDTVGFIQDLPTTLIAAFRSTLEEVKEADLILHLIDSSNEDYAGHE--KTVLRLLEELEADDIPMLTAYNKRDQKLPDFIPTAGRDHIMVSAKFEDDAAAFKEAIQRYLRQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM 3KXI Chain:A ((14-304)) ------------------------------EEAIALVEGANYKV-TSIYKLPKSPNVKFYIQYDKLQQIK---NDEEISTLIIFEQLKPRHFINIRRELKGKEVLDKILLLLEIFALHAGSKEAKMQIELARLKYELP-IIKET-------------------VESTIKFYKRRINKLMKELESIKIFKEKSIESNKRNNIPSIGIVGYTNSGKTSLFNSLTGLT------------P--KRYAIPINNRKIMLVDTVGFIRGIPPQIVDAFFVTLSEAKYSDALILVIDSTFSENLLIETLQSSFEILREIGVSGKPILVTLNKIDK------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KXI.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 : 1039 -130973 -126.06 -511.61 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -126.06 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3KXI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KXI-query.scw PDB file : Tito_Scwrl_3KXI.pdb: