Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------MKIYLDVIWLLNFCFDALLLLLT----AFILKRHVKKRRLVGG-AFIGSSIVLLMFTPFS--PIVEHPAGKLAFSVVIVVVTFG--FKRFRFFFQNLFSFYFATFLM----------------------GGG----IIGAHSLLQSNSIV--QNGVMITNQTGFGDPISWLFIVGGFPALWF----FSKRRIEDIETKNIQYEERVSVQADLGSQTLHVRGLIDSGNQLYDPLTKTPVMIIYIDKLEPIFG-----TAETMIIRNTDPLEAIEQLDDSFRFLDKMRLIPYRGVGQQNQFLLCVK--PDHVTIMTKEEMISADKCLI--GISTTKLSADGEFDAIIHPKMLSGKAVKHVS----------------------------------------- 5AEX Chain:A ((2-457)) SYNFTGTPTGEGTGGNSLTTDLNTQFDLANMGWIGVASAGVWIMVPGIGLLYSGLSRKKHALSLLWASMMASAVCIFQWFFWGYSLAFSHNTRGNGFIGTLEFFGFRNVLGAPSSVSSLPDILFAVYQGMFAAVTGALMLGGACERARLFPMMVFLFLWMTIVYCPIACWVWNAEGWLVKLGSLDYAGGLCVHLTSGHGGLVYALILGKRNDPVTRKGMPKYKPHSVTSVVLGTVFLWFGWMFFNGGSAGNATIRAWYSIMSTNLAAACGGLTWMVIDYFRCGRK-WTTVGLCSGIIAGLVGITPAAGFVPIWSAVVIGVVTGAGCNLAVDLKSLLRIDDGLDCYSIHGVGGCIGSVLTGIFAADYVNATAGSYISPIDGGWINHHYKQVGYQLAGICAALAWTVTVTSILLLTMNAIPFLKLRLSADEEELGTDAAQIGEFTYEESTAYIPEPIRS

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 : 1480 -157294 -106.28 -510.69 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -106.28 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.079

(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: