Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVP---QVQSIKTSLK-KRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLID---WGVPTRNQAKYNFG------TYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDKDIKNLMILASPIDTHKAGYMGKLYGSLTK-PAQWVRKHT-------PFRIRQHVPSE-VFHIHGWQNTLGFK-LTAPIGNLKTYWQLLKNLDNR-EFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPSGHMGVVSGSQAPTSVWPEMSNWLAMRSD 2RAU Chain:A ((3-354)) YEEWKIVKREAPILGNDQLIENIWKMKRED-------------------------SPYDIISLHKVNLIGGGNDAVLILPGTWSSGEQLVTISWNGVHYTIPDYRKSIVLYLARNGFNVYTIDYRTHYVPPFLKDRQLSFTANWGWSTWISDIKEVVSFIKRDSGQERIYLAGESFGGIAALNYSSLYWKNDIKGLILLDGGPTKHGIRFYTPEVNSIEEMEAKGIYVIPSRGGPNNPIWSYALANPDMPSPDPKYKSISDFLMDSLYVTGSANPYDYPYSKKEDMFPILASFDPYWPY--------------RLSLERDLKFDYEGILVPTIAFVSER-----------------FGIQIFDSKILPSNSEIILLKGYGHLDVYTGENSEKDVNSVVLKWLSQQR-

General information: TITO was launched using: RESULT: Template: 2RAU.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 : 1867 4262 2.28 13.07 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 2.28 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_2RAU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RAU-query.scw PDB file : Tito_Scwrl_2RAU.pdb: