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

General information: TITO was launched using: RESULT: Template: 3KXL.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 : 956 -109633 -114.68 -496.08 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -114.68 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3KXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KXL-query.scw PDB file : Tito_Scwrl_3KXL.pdb: