Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQYKAPLRDMQFVLHELLNAEEHYAKLPDFQGNVSRELVDQYLEAAANFCENELSPLNQVGDREGCTWNDGVVTTPTGFKEAYQKYIELGFPSLSAEEQYGGQGLPNSLGIAIS-----EMVGSSNWAWGMYPGLSH---GAVRTLEHHGSEEQKNTYLPNLVSGV----WTGTMCLTESHAGSDLGIIRTKAEPNADGSYAISGEKIFISAGEHDMAENIIHIVLARLPGAPKGTKGISLFIVPKFNVNADGTLGERNAVRCGSIEHKMGIHGNATCVINFDQAKGYLIGPENRGLNCMFTFMNTARIGTAVQGLSASESSFQGALTYAKERLAMRSLSGPKAPEKEADPIIVHPAVRNMLLTQKAFAEGGRALVYLLAQYADIVEKGETEEERKFADNILSLLTPIAKAFLTETGSESAKHGVQVFGGHGFISEHGMEQIVRDTRIACLYEGTTEIQALDLLGRKVLQTQGAMLRDFTKIVHKFVEANKDNAAMKEFVEPLAALNKEWGDLTMQIGMRAMQNPDEVGAAAVDYLYFSGYVTLAYLWARMALVAQEKLAAGTTDVDFYNAKVTTARFYFKKILPRVRSHVDVIAGGLDPLMALDAEHFAF 3U33 Chain:K ((17-505)) NSNLYLSDGALCEAVTREGAGW-DSDFLASIGQQLGTAE----SLELGRLA-NVNPPELLRYDAQGRRL--DDVRFHPAWHLLMQALCTNRVHNLAWEEDARS-G-AFVARAARFMLHAQVEAGSLCPITMTFAATPLLLQMLPAPFQDWTTPLLSDRYDSHLLPGGQKRGLLIGMGMTEKQGGSDVMSNTTRAERLEDGSYRLVGHKWFFSVPQ---SD--AHLVLAQTAG------GLSCFFVPRFLPD-----GQRNAIRLERLKDKLGNRSNASCEVEFQDAIGWLLGLEGEGIRLILKMGGMTRFDCALGSHAMMRRAFSLAIYHAHQRHVFG------------NPLIQQPLMRHVLSRMALQLEGQTALLFRLARAWDRRADA-------KEALWARLFTPAAKFVICKRGMPFVAEAMEVLGGIGYCEESELPRLYREMPVNSIWEGSGNIMCLDVL-RVLNKQAGVY--DLLSEA---F------VEVKGQDRYFDRAVRRLQQQLR----------KPAEELGREITHQLFLLGCGAQMLKYASPP--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U33.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 2628 -55112 -20.97 -115.54 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain K : 0.69 3D Compatibility (PKB) : -20.97 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_3U33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U33-query.scw PDB file : Tito_Scwrl_3U33.pdb: