Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MNTVHAKGNVLNKIGIPSHMVWGYIGVVIFMVGDGLEQGWLSPFLVDHGLSMQQSASLFTMYGIAVTISAWL--SGTFVQTWGPRKTMTVGLLAF-----ILGSAAF------IGWAIPHMYYPALLGSYAL-----RGLGYPLFAYSFLVWVSYSTSQNILGKAVGWFWFMFTCGLNVLGPFYSSYAVPAFGEINTLWSALLFVAAGGILALFFNKDKFTPIQKQDQPKWKELSKAFTIMFENPKVGIGGVVKTINAIGQFGFAIF-LPTYLARYGYSVSEWLQIWGTLFFVNIVFNIIFGAVGDKLGWRNTVMWFGGVGCGIF--TLALYYTPQLIGHQYWVLMIIACCYGAALAGYVPLSALLPTLAPDNKGAAMSVLNLGSGLCAFIAPGIVSLFIGPLGAGGVIWIFAALYFFSAFLTRFLTISEQSTDVYTEE---------RFVRENVQTNFDKTVKQ----------------- 5AEX Chain:A ((2-457)) SYNFTGTPTGEGTGGNSLTTDLNTQFDLANMGWIGVASAGVWIMVPGIGLLYSGLSRKK--HALSLLWASMMAS----AVCIFQWFFWGYSLAFSHNTRGNGFIGTLEFFGFRNVLGAPSSVSSLPDILFAVYQGMFAAVTGALMLGGACERARLFPMMVFLFLWMTI------VYCPIACWVW-------NAEGWLVKLGSLDYAGGL----CVHLTSGHGGLVYALILGKRNDPVTRKGMPKYKPHS---------VTSVVLGTVFLWFGWMFFNGGSAGNATIRAWYSIMSTNLAAACGGLTWMVIDYFR----CGRKW---TTVGLCSGIIAGLVGITPAAGFVPIWSAVVIGVVTGAGCNLAVDLKSLLRIDDGLDCYSIHGVGGCIGSVLTGIFAADYVNATA-GSYISPIDGGWINHHYKQVGYQLAGICAALAWTVTVTSILLLTMNAIPFLKLRLSADEEELGTDAAQIGEFTYEESTAYIPEPIRS

General information: TITO was launched using: RESULT: Template: 5AEX.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 : 2433 -268899 -110.52 -680.76 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -110.52 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.267

(partial model without unconserved sides chains): PDB file : Tito_5AEX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AEX-query.scw PDB file : Tito_Scwrl_5AEX.pdb: