Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILVTGAAGFIGSHLCEELLKDKKHNVIGIDDFIGPTPFSL-KLKNLKNLLPEKRFTFIKENLLTADLAS---LLEGVDVIFHLAAIPGVRSSWGNHFHPYAAHNIQALQRLLEACREHSIQTFVFASTSSVYGEKQG--KVSENTSLSPLSPYGVTKLTGEKLCHVYKQSFGIPIVILRFFTVYGPRQRPDMAFHRLIKQ----HLQQKPLTIFGDGQQSRDFTYISDCVK-GITAVLGKPHLIGETVNIGGAERASVLKVVSLIEDISG-----RKATLHFSDKIAGEPSNTWADISKAKQLLHYDPATSLKDGLTNEIAYLSSLYQGE 3RUE Chain:S ((29-338)) ---LITGVAGFIGSNLLEKLLKLNQV-VIGLDNFSTGHQYNLDEVKTLVSTEQWSRFCFIEGDI--RDLTTCEQVMKGVDHVLHQAALGSVPRSIVDPITTNAT-NITGFLNILHAAKNAQVQSFTYAASSSTYGDHPALPKVEENIG-NPLSPYAVTKYVNEIYAQVYARTYGFKTIGLRYFNVFGRRQDPNGAYAAVIPKWTAAMLKGDDVYINGDGETSRDFCYIDNVIQMNILSALAKDSAKDNIYNVAVGDRTTLNELSGYIYDELNLIHHI-----KYREFRSGDVRHSQADVTKAIDLLKYRPNIKIREGL--------------

General information: TITO was launched using: RESULT: Template: 3RUE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1559 -23219 -14.89 -80.34 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain S : 0.78 3D Compatibility (PKB) : -14.89 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_3RUE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RUE-query.scw PDB file : Tito_Scwrl_3RUE.pdb: