Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIFRKKKARRGLAQISVLHNKSVVAEQYRTIRTNIEFSSVQTNLRSILVTSSVPGEGKSFSAANLAAVFAQQQEKKVLLVDADLRKPTINQTFQVDNVTGLTNVLVGNASLSETVQKTPIDNLYVLTSGPTPPNPAELLSSKAMGDLISEIYEQFSLVIFDSPPLLAVADAQILANQTDGSVLVVLSGKTKTDTVLKAKDALEQSNAKLLGALLNKKKMKKSEHYSY 3LA6 Chain:C ((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 C - contact count / total energy / energy per contact / energy per residue : 1085 -123354 -113.69 -613.70 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -113.69 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.598

(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: