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:A ((16-533)) -----------LLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVAGTLAHSFVTSFSGSEVPPDPMLAPAAGEGPGVDLAAKAQVWLEQVCAHLGLGVQEPHPGERAAFVAYALAFPRAFQGLLDTYSVWRSGLPNFLAVALALGELGYRAVGVRLDSGDLLQQAQEIRKVFRAAAAQFQVPWLESVLIVVSNNIDEEALARLAQEGSEVNVIGI-----------SLGGVYKLVAVGG-----QPRMKLT-------LPGSKAAFRLLGS-DGSPL-MDMLQLAEEPVPQAGQELRVWPPGAQEPCTVRP-AQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSERLQALVNSLC--------------

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 A - contact count / total energy / energy per contact / energy per residue : 2184 -42811 -19.60 -97.52 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -19.60 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.428

(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: