Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRMHLPTLLKNKEKSQRSRQMSSSKTIGIIGGGQLGQMMAISAIYMGHKVIALDPAADCPASRVAEIIVAPYNDVDALRQLADRCDVLTYEFENVDADGLDAVIKDGQLP--QGTDLLRISQNRIFEKDFLSNKSQVTVAPYKVVTSSLDLAD--IDLSKNYVLKTATGGYDGHGQKVIRSEAD-LEAAYALADSADCVLEEFVNFDLEISVI-VSGNGKEVTFFPVQENIHRNNILSKTIVPAR-ISESLVDKAKAMAVRIAEQLNLSGTLCVEMFATDDDVIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGAPLPVIKLHAPAVMLNVLGQHVEAAEQYVTENSSAHLHMYGKIEAKHNRKMGHVTLFSDVPDSVDELGEGIDF 3AW8 Chain:B ((12-351)) ------------------------------------RMLALAGYPLGLSFRFLDPSPEACAGQVGELVVGEFLDEGALLRFAEGLALVTYEFENVPVEAARRL--EGRLPLYPPAKALEVAQDRLREKTFFQGLG-VPTPPFHPVDGPEDLEEGLKRVGLPALLKTRRG------QALVRTEEEALEALKALGGRG-LILEGFVPFDREVSLLAVRGRTGEVAFYPLVENRHWGGILRLSLAPAPGASEALQKKAEAYALRAMEALDYVGVLALEFFQVGEELLFNEMAPRVHNSGHWTIEGAETSQFENHLRAVLGLPLGSTAPRGQSAMVNLIGEKPPFAE--VLKVEGAHLHWYGKA-VRPGRKVGHITLRRDGLKALEE-------

General information: TITO was launched using: RESULT: Template: 3AW8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1778 18890 10.62 57.77 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : 10.62 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_3AW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AW8-query.scw PDB file : Tito_Scwrl_3AW8.pdb: