Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MQNLPIIAVLYMILSMVSYQISASFAKQLIAALDPL------TVTILRLCFAAVIVAVMFRSWKIW-------SRLPYLKWRDLLMYCASLGLMNILFYTS-LGKLPQGIAV--GLEFIGPLGLALVSIKQKSEYIWVAFAMLGIALMVPWQDPTQHHFSYVGAACALGAGLCWAFYIYFGQKVVTQNIGMHALTIGITVSALALLPIGIWYNGPALLDTQYWGKALLI-----AVLATAIPYALDLM-------------------ALKQLNKLTYGTLTSLAPAL-------------AALTGFLLLHEEISMLQWVALACVM--------LASIGVTLRSKTAS--------------------------------- 5A5T Chain:L ((181-552)) QWLWDIIDEFIYQFQSFSQYRCKTAKKSEEEIDFLRSNPKIWNVHSVLNVLHSLVDKSNINRQLEVYTSGGDPESVAGEYGRHSLYKMLGYFSLVGLLRLHSLLGDYYQAIKVLENIELNKKSMYSRVPECQVTTYYYVGFAYLMM----RRYQDAIRVFANILLYIQRTKSM-FQRTTYKYEMINKQNEQMHAL-LAIALT---MYPMRIDESIHLQLREKYGDKMLRMQKGDPQVYEELFSYSCPKFLSPVVPNYDSVHPNYHKEPFLQQLKVFSDEVQQQAQLSTIRSFLKLYTTMPVAKLAGFLDLTEQEFRIQLLVFKHKMKNLVWTSGISALDGEFQSASEVDFYIDKDMIHIADTKVARRYGDFFIRQIHKFEE

General information: TITO was launched using: RESULT: Template: 5A5T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 948 -69950 -73.79 -252.53 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain L : 0.63 3D Compatibility (PKB) : -73.79 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.068

(partial model without unconserved sides chains): PDB file : Tito_5A5T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A5T-query.scw PDB file : Tito_Scwrl_5A5T.pdb: