Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHYTKEDLLELGAEITTREIYQQPDVWREAFEFYQAKREEIAAFLQEIADKHDYIKVILTGAGTSAYVGDTLLPYFKEVYDERKWNFNAIATTDIVANPA-TYLKKDVATVLVSFARSGNSPESVATVDLAKSLVDELYQVTITCATDGKLALQAHGDDRNLLLLQPAVSNDAGFAMTSSFTSMMLTALLVFDPTEFAVKSERFEVVSSLARKVLDKAEDVKELVD-LDFNRVIYLGAGPFFGLAHEAQLKILELTAGQVATMYESPVGFRHGPKSLINDNTVVLVFGTTTDYTRKYDLDLVREVAGDQIARRVVLLSDQAFGLENVKEVALGCGGVLNDIYRVFPYIVYAQLFALLTSLKVENKPDTPSPTGTVNRVVQGVIIHEYQK 2E5F Chain:B ((2-324)) ---------------KTLIEIKQTPDGIIKADKVFNK----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: 2E5F.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 : 1975 -94981 -48.09 -295.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -48.09 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_2E5F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2E5F-query.scw PDB file : Tito_Scwrl_2E5F.pdb: