Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIFRKKKARRGLAQISVLHNKSVVAEQYRTIRTNIEFSSVQTNLRSILVTSSVPGEGKSFSAANLAAVFAQQQEKKVLLVDADLRKPTINQTFQVDNVTGLTNVLVGNASLSETVQKTPIDNLYVLTSGPTPPNPAELLSSKAMGDLISEIYEQFSLVIFDSPPLLAVADAQILANQTDGSVLVVLSGKTKTDTVLKAKDALEQSNAKLLGALLNKKKMKKSEHYSY 3LA6 Chain:E ((74-274)) -------------------------EAIRSLRTSLHFAMMQAQNNVLMMTGVSPSIGMTFVCANLAAVISQTN-KRVLLIDCDMRKGYTHELLGTNNVNGLSEILIGQGDITTAAKPTSIAKFDLIPRGQVPPNPSELLMSERFAELVNWASKNYDLVLIDTPPILAVTDAAIVGRHVGTTLMVARYAVNTLKEVETSLSRFEQNGIPVKGVILNSIFRRASAYQDY

General information: TITO was launched using: RESULT: Template: 3LA6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1071 -124913 -116.63 -621.46 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.77 3D Compatibility (PKB) : -116.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_3LA6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LA6-query.scw PDB file : Tito_Scwrl_3LA6.pdb: