Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MNENMSFKELYAIVRHRFVLILLI--------------TIGVTLIMGFVQF------------KVISPTYQASTQV-LVHESDGEENSNLSDIQRNLQYSSTFQSIMK------------------STALMEEVKAELHLSESASSLKGKVVT-SSENESEIINVAVQDHDPA-----KAAEIANT---LVNKFEKEVDERMNV-----------------QGVHILSEAKASESPMIKPARLRNMVMAFGAAVMGGITLAFFLHFLDDTCKSARQLSERTGLPCLGSVPD-VHKGRNRGIKHFGE 2IXS Chain:A ((5-323)) NDIDETAATIDTARALLKSFGFEAQRHNVRSAVTLLALAGLKPGDHWADSTTPRLGVQKIMDWSGAYWAKPYATGSREDFRKKTLRQWVDNGFAVLNPDNLNIATNSQLNEYCLSDEAAQAIRSYGTDAFESALVDFLSKASDTVRARAEALRAAMISVDLADGDEFLLSPAGQNPLLKKMVEEFMPRFAPGAKVLYIGDTRGKHTRFEKRIFEETLGLTFDPHGRMPDLVLHDKVRKWLFLMEAVKSKGP-FDEERHRTLRELFATPVAGLVFVNCFEN-REAMRQWLPELAWETEAWVADDPDHLIHLNGSRFLGPYER

General information: TITO was launched using: RESULT: Template: 2IXS.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 : 1126 37106 32.95 159.94 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 32.95 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_2IXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IXS-query.scw PDB file : Tito_Scwrl_2IXS.pdb: