Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKMRFPTLVFDIETLTDLKAGAHLYHLDLPEADVEQALTKIRRQESGMDFQRLPLHEIVCISGLWIDESG---F--RLFS----------FSREHYSEAEILQKFLSIFDKRHP-TLVSWNGSQFDLPVILFRAMYHGLSAPGLFDQGELDS----Q-----KRFNN-YQNRYH---HRHIDLMDVMAM-FNGRNFQKLDDVACILGLPGKRGESGYHVPEYVRTE--QWLKLTSYCEGDVLNTWFIYLRWLLLKGQMNVDEHNHWISSSIEYLQTMPQQADFLEVWQRTSKHTEFTSHYFNPLNF 3IAY Chain:A ((246-469)) ---TAPLRIMSFDIECAGRI-----------------------------GVFPEPEYDPVIQIANVVSIAGAKKPFIRNVFTLNTCSPITGSMIFSHATEEEMLSNWRNFIIKVDPDVIIGYNTTNFDIPYLLNRAKALKVNDFPYFGRLKTVKQEIKESVFSSKAYGTRETKNVNIDGRLQLDLLQFIQREYKLRS-YTLNAVSAHFLGEQ------SIISDLQNGDSETRRRLAVYCLKDAYLPLRLMEKLMALV---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IAY.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 : 745 -26911 -36.12 -144.68 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -36.12 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_3IAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IAY-query.scw PDB file : Tito_Scwrl_3IAY.pdb: