Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWANQNPVFVYEKEPSRDILCIDCKSFYASVECVEKDLDP-LTTKLVVMSYPSDSTETRGSGLILASSPAAKKAYGI---TNISRARDLPFPYPSDLYIVAPRMAYYMEKNREINSIYKKYADEANHHVYSVDESFLDVTNSMALFGKTNAYDMAKLIHKDVFEQTGIYTTIGIGDNPLLAKLALDNGSKDGKQMFAEWRYEDVPEKLWKISDITDFWGIGKRTAKRLKQMGIHSVYDLAHADYYHLKSKLGVIGTQLYAHAWGIDRSFLGQEY-TPKSKSIGNSQILDRDYTRREEIEIVIKEMADQVGTRL-RRSAAKTQVVSLWVGYSLGYLDPNGKTGFHQQMKIEATNASRDLADALLTIFHQHYHYQDIRRVGVNCSDLVYATGLQLNLFEDPEKQINEAKVDFVVDTIRKKYGFQSIIHAHSLLQGGRAIARSSLVGGHAGGMSGLEGGKDETDSKKIH 1S0O Chain:A ((3-341)) ------------------VLFVDFDYFYAQVEEV---LNPSLKGKPVVVCVFSGRFEDSGA---VATANYEARKFGVKAGIPIVEAKKI---LPNAVYL-PMRKEVYQQVSSRIMNLLREYSEKI--EIASIDEAYLDISDKVRDY--REAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDD---EEV-KRLIRELDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLK---GMIGEAKAKYLISLARDEYNEPIRTRVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLDKRIPKAIHVVAVTEDLDIV---SRGRTFPHGISKETAYSESVKLLQKIL-----EEDERKIRRIGVRFSKFI--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1S0O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1586 -8738 -5.51 -26.24 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -5.51 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.407

(partial model without unconserved sides chains): PDB file : Tito_1S0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1S0O-query.scw PDB file : Tito_Scwrl_1S0O.pdb: