Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQYKAPLRDMQFVLHELLNAEEHYAKLPDFQGNVSRELVDQYLEAAANFCENELSPLNQVGDREGCTWNDGVVTTPTGFKEAYQKYIELGFPSLSAEEQYGGQGLPNSLGIAISEMVGSSNWAWGMYPGLSHG-AVRTLEHHGSEEQKNTYLPNLVSGVWTGTMCLTESHAGSDLGIIRTKAEPNA-DGSYAISGEKIFISAGEHDMAENIIHIVLARLPGAPKGTKGISLFIVPKFNVNADGTLGERNAVRCGSIEHKMGIHGNATCVINFDQ---AKGYLIGPENRGLNCMFTFMNTARIGTAVQGLSASESSFQGALTYAKERLAMRSLSGPKAPEKEADPIIVHPAVRNMLLTQKAFAEGGRALVYLLAQYADIVEKGETEEE----R--KFADNILSLLTPIAKAFLTETGSESAKHGVQVFGGHGFISEHGMEQIVRDTRIACLYEGTTEIQALDLLGRKVLQTQGAMLRDFTKI---VHKFVEANKD--N-AAMKEFVEPLAALNKEWGDLTM-QIGMRAMQ-------NPDEVGAAAVDYLYFSGYVTLAYLWARMALVAQEKLA-AGTTDVDFYNAKVTTARFYFKKILPRVRSHVDVIAGGLDPLMALDAEHFAF 3OWA Chain:D ((14-551)) ---------GGSFLVDEI-TID-QVFTPEDF-----SSEHKMIAKTTEDFIVNEVLPELEYLEQHEFDR-------S---VRLLKEAGELGLLGADVPEEYGGIGLDKVSSALIAEKFSRAG-GFAITHGAHVGIGSLPIVLFGNEEQKKKYLPLLATGEKLAAYALTEPGSGSDALGAKTTARLNAEGTHYVLNGEKQWITNSAF--AD--VFIVYAKIDG-----EHFSAFIVEKDY----------AGVSTSPEEKKMGIKCSSTRTLILEDALVPKENLLGEIGKGHIIAFNILNIGRYKLGVGTVGSAKRAVEISAQYANQRQQFK------------QPIARFPLIQEKLANMAAKTYAAESSVYRTVGLFESRMSTLSEEEVKDGKAVAASIAEYAIECSLNKVFGSEVLDYTVDEGVQIHGGYGFMAEYEIERMYRDSRINRIFEGTNEINRLI-VPGTFLRKAMKGELPLLQKAQKLQEELMM---VGDEP-L-ALQKYLVNNAKKIGLMVAGLAAQKYGKALDKEQEILVNIADIVSNLYAMES----------AVLRTEKAIKTTG---LEKNKQKVLYTEVFCQEAFNEIEAHAKETL----------------

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 : 2776 -31938 -11.51 -62.99 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : -11.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.421

(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: