Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIAFVGVSAVPPLERQKQRLANMDPSVYAVFEECRYKSLLAICHLARIIDAAMRGLDESTQVPASQPCEDTSHHDCALRSAANADREEPVGRPIADPTISRGSNEDLPLFIPLMDDNSDVSFCSMLHVEAESSSNASGLGYLSENAAKERSKQSTDMKATSHAALGNRERDVALFPHLNGHWECGIFGGKRVYIDTGGLYLGRGATALVYEGWMVVTDAMDGSEVCLAKVPVAIKEVTYNAKDRRLHDLYELAVNLRLNMVHPGIVHSYYAGTYMPRLAGFRSAEKAMVYAHLVLARSVTGSVADVLKRSGPFPESEIKRCMTEILSALQCVHEDHNCVHNDVKPHNILIFDDSSAYYAEFKYQIIDLTDIAPATPIEDVLRDLAAERKQQQNIFSERGTVMYMSPESCLGLGTLTSNDVWSLGITAFHMATGTLPWRPLERQYPSMILNGYRRKFTLRSLVDMHVNDAFGASGSCYPTGTDNPLHADSDGKPRARFHASSAPGSRATGGASCTSQVFCDQYKGFGPILDMLDEVSVSSEFRSFLEQCLTENPVKRPTCRQLRSHPFVKDVTVASQH 5IU2 Chain:B ((78-326)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SDFIPRGAFGKVYLAQDIKT-----------KKRMACKLIPVDQFK-------PSDVEIQACFRHENIAELYGAVL-----------WGETVHLFMEAGE--GGSVLEKLESCGPMREFEIIWVTKHVLKGLDFLHSK-KVIHHDIKPSNIVFMST--------KAVLVDFGLSVQMTED-------------VYFPKDLRGTEIYMSPEVILCRGHSTKADIYSLGATLIHMQTGTPPWVKRYPRSAY---PSYL---------YII-----------------------H-K---------------------------------QAPPLED-IADDCSPGMRELIEASLERNPNHRPRAADLLKHEALN--------

General information: TITO was launched using: RESULT: Template: 5IU2.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 : 1296 -115644 -89.23 -464.43 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -89.23 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_5IU2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IU2-query.scw PDB file : Tito_Scwrl_5IU2.pdb: