Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNTYPDDSLTLHTDLYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAVFAGLERLVNYLENLTFNDSDIAYLRGL--EVYPEGFLEYLQNFEF-KATVRSAREGELVFANEPLIQVEGPLAHCQLVETALLNMVNFQTLIATKAARIKSVIG-EDPLLEFGTRRAQELDAAVWGTRAAYIGGADATSNVRAGKIFGIPASGTHAHSLVQSYG----------------------------------------------NDYEAFMAYAKTH-KDCVFLVDTYDTLKSGVPSAIRVAKELGDK-INFQGVRIDSGDMAYISKRVREQLDAAG-------FTEAKIYASNDLDEATILNLKMQKAKIDVWGVGTKLITAYDQPALGAVFKLVSIEDDEGKMMDTIKLSSNAEKVTTPGKKQVWRITRNFDGK-SEGDYVTLWDEDPREEEAIFMF-HPVHTFINKTVRDFTARPVLQDIFIEGKRVYELPALNEIKEYTKENLDSLWEEYKRDLNPQKYPVDLSTECWNHKMAIMERMKKSVAELHTEA 4YUB Chain:B ((16-534)) -----------LLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVAGTLAHSFVTSFSGSEVPPDPMLAPAAGEGPGVDLAAKAQVWLEQVCAHLGLGVQEPHPGERAAFVAYALAFPRAFQGLLDTYSVWRSGLPNFLAVALALGELGYRAVGVRLDSGDLLQQAQEIRKVFRAAAAQFQVPWLESVLIVVSNNIDEEALARLAQEGSEVNVIGI-----------SLGGVYKLVAVGG-----QPRMK-------QTLPGSKAAFRLLGS-DGSPL-MDMLQLAEEPVPQAGQELRVWPPGAQEPCTVRP-AQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSERLQALVNSLCA-------------

General information: TITO was launched using: RESULT: Template: 4YUB.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 : 2150 -36156 -16.82 -82.17 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -16.82 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_4YUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YUB-query.scw PDB file : Tito_Scwrl_4YUB.pdb: