Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHYTKEDLLELGAEITTREIYQQPDVWREAFEFYQAKREEIAAFLQEIADKHDYIKVILTGAGTSAYVGDTLLPYFKEVYDERKWNFNAIATTDIVANPA-TYLKKDVATVLVSFARSGNSPESVATVDLAKSLVDELYQVTITCATDGKLALQAHGDDRNLLLLQPAVSNDAGFAMTSSFTSMMLTALLVFDPTEFAVKSERFEVVSSLARKVLDKAEDVKELVD-LDFNRVIYLGAGPFFGLAHEAQLKILELTAGQVATMYESPVGFRHGPKSLINDNTVVLVFGTTTDYTRKYDLDLVREVAGDQIARRVVLLSDQAFGLENVKEVALGCGGVLNDIYRVFPYIVYAQLFALLTSLKVENKPDTPSPTGTVNRVVQGVIIHEYQK 2DEC Chain:A ((1-324)) --------------MKTLIEIKQTPDGIIKADKVFNK----V---KDK-IS--LPNRILYLGCGSSHFLSKLLAMVTNMH-G---GLGIALPCSEFLYSKETYPI--GEVELAVGISRSGETTEILLALEKIN-----VKKLGITT-RESSLTRMCD-----YSLVVPAI-EE-SVVMTHSFTSFYFAYLQLLRYSYGLPP-LNAGEISKATEKSLEYERYIREIVESFDFQNIIFLGSGLLYPVALEASLKMKEMSI--FWSEAYPTFEVRHGFKAIADEKTLVVLMVEEP---FEWHEKLVKEFKNQG--AKVLVISNSPQDL--GQDYSIELP-RLSKDANPIPYLPIVQLLSYYKAVSRGLNPDNPRFLDKVVR------------

General information: TITO was launched using: RESULT: Template: 2DEC.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 : 1966 -97003 -49.34 -301.25 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -49.34 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_2DEC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DEC-query.scw PDB file : Tito_Scwrl_2DEC.pdb: