Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIYNAPLADMKFILNDVFKAEQFWQANEKLAHVDAATAEAILEEMAKFAQNVTHPLNRTGDEEGARYENGEVFTPAGFKDAFRQYAEGGWIGLGADEEWGGQGMPKMLTVLADEMLFATNPSFMLYPLLSVG-AGMALSSYASQEQKETYLPKIYSGEWSGTMCLTEPHAGTDLGIIKTKAERNE-DGTYNITGTKIFITGGDNDLAENIIHLVLAKTPDAPAGSRGISLFIVPKYLVNEDGSLGDRNHVGPGSIEHKMGIKASATCVMNFDG---AKGYLVGKENEGLAAMFVMMNYERLSMGIQGLGASEFAYQNAAQYATARLQGRSAAGVQSPSKPADSILVHGDVRRMLLNVRANNEASRAFAVYVGQQLDITKFSTDAEAV---K---KANDRVALLTPIAKAYLTDTAFQATLDAQMVFGGHGYIREWGMEQCIRDLRIAQIYEGTNGVQSQDLIGRKTIKCGGAFIAEYITE---IRDFANDLDT--D-LNFIKDA-TLDAATEIEAITQ-FIIEQAAEN-------VEFPNSAAVDYLHAVGLLSFSYMFAKIAAAAKDK----SGDFYQNKLALAQYFVERILPDIDARIAKIKAGSDLIMGFSEDYFTNQA 3OWA Chain:D ((34-551)) -----------------------------------SSEHKMIAKTTEDFIVNEVLPELEYLEQHEFDR-------S---VRLLKEAGELGLLGADVPEEYGGIGLDKVSSALIAEKFSRAG-GFAITHGAHVGIGSLPIVLFGNEEQKKKYLPLLATGEKLAAYALTEPGSGSDALGAKTTARLNAEGTHYVLNGEKQWITNSAF--AD--VFIVYAKIDG-----EHFSAFIVEKDY----------AGVSTSPEEKKMGIKCSSTRTLILEDALVPKENLLGEIGKGHIIAFNILNIGRYKLGVGTVGSAKRAVEISAQYANQRQQFK------------QPIARFPLIQEKLANMAAKTYAAESSVYRTVGLFESRMSTLSEEEVKDGKAVAASIAEYAIECSLNKVFGSEVLDYTVDEGVQIHGGYGFMAEYEIERMYRDSRINRIFEGTNEINRLI-VPGTFLRKAMKGELPLLQKAQKLQEELMM---VGDEP-LALQKYLVNNAKKIGLMVAGLAAQKYGKALDKEQEILVNIADIVSNLYAMES---------AVLR-TEKAIKTTGLEKNKQKVLYTEVFCQEAFNEIEAHAKETL------------------

General information: TITO was launched using: RESULT: Template: 3OWA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2543 -6603 -2.60 -13.67 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : -2.60 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3OWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OWA-query.scw PDB file : Tito_Scwrl_3OWA.pdb: