Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWANQNPVFVYEKEPSRDILCIDCKSFYASVECVEKDLDPLTTKLVVMSYPSDSTETRGSGLILASSPAAKKAYGITNISRARDLPFPYPSDLYIVAPRMAYYMEKNREINSIYKKYADEANHHVYSVDESFLDVTNSMALFGKTNAYDMAKLIHKDVFEQTGIYTTIGIGDNPLLAKLALDNGSKDGKQMFAEWRYEDVPEKLWKISDITDFWGIGKRTAKRLKQMGIHSVYDLAHADYYHLKSKLGV-IGTQLYAHAWGIDRSFLGQEYTPKSKSIGNSQILDRDYTRREEIEIVIKEMADQVGTRLRRSAAKTQVVSLWVGYSLGYLDPNGKTGFHQQMKIEA-TNASRDLADALLTIFHQHYH--YQDIRRVGVNCSDLVYATGLQLNLFEDPEKQINEAKVDFVVDTIRKKYGFQSIIHAHSLLQGGRAIARSSLVGGHAGGMSGLEGGKDETDSKKIH 3RAX Chain:B ((1-341)) ----------------GIVLFVDFDYFYAQVEEVLN-PSLKGKPVVVCVFSGRF--EDS-GAVATANYEARK-FGVKAGIPIVEAKKILP-NAVYLPMRKEVYQQVSSRIMNLLREYSE--KIEIASIDEAYLDISDKVRDYRE--AYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKP---NGIKVIDDEEVKRLIRE-LDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPIRT---RVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLDKRI--PKAIHVVAVTEDLD-------IVSRGRTFPHGIS-KETAYSESVKLLQKILEEDERKIRRIGVRFSKFI--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RAX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1637 -139648 -85.31 -414.39 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -85.31 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_3RAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RAX-query.scw PDB file : Tito_Scwrl_3RAX.pdb: