Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKAQIGMVMNLDKCIGCHTCSVTCKNTWTNRSGAEYMYFNNVETKPGIGYPKQWEDQDK-YKGGWTLKKGKLELKSGSKTNRLAGLFYNPNQPSIDDYYEPWNYDYE-TLTNSPQKKHQPVARPKSSLTGDFMNIEWGPNWEDDLAGGHITGLEDPNVQKMEESIKTEFDDVFMMYLPRICEHCINPACVSSCPSGAMYKREEDGIVLVDQNACRSWRYCVSSCPYKKVYFNWQTNKAEKCTLCFPRLEAGLPTICSETCVGRIRYLGVMLYDADKVEEAASVENEKDLYHSQLDVFLDPNDPEVAKLAKEQGIPAEWIEAAQQSPIYKMIIDWKIALPLHPEYRTLPMVWYIPP-LSPIMNLFEGKGSRQTAEDIFPAIDQMRIPIDYLAQLLTAGDTDHIRSTLKKMSVMRQYMRAVQTNKSIDPELISSVGLTEQQIEDMYRLLAIAKYDDRFVIPSSHREEVSDLYAEQGSCGLSFSGGPGSCF 5E7O Chain:B ((9-275)) ---RRQLTYVTDLNKCIGCQTCTVACKKLWTTGPGQDFMYWRNVETAPGLGYPRNWQTKGGGYKNG-ELQKGKI--------------------PPMIDYGIPFEFDYAGRLFEGKPGRVRPSPTPRSA-----------PNWDEDQGAG-------------------EYPNNSFFYLPRMCNHCTKPACLEACPNEAIYKREQDGIVVIHQDKCKGAQACVQSCPYAKPYFNPLTNKANKCIGCFPRIEQGVAPACVAQCVGRAMHVG----------------------------FVDDVN----------------------SSVYKLIKQYKVALPLHPEFGTEPNVFYVPPVLGPRIEMANGEPS-----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5E7O.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 : 1372 -26982 -19.67 -102.20 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -19.67 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.281

(partial model without unconserved sides chains): PDB file : Tito_5E7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E7O-query.scw PDB file : Tito_Scwrl_5E7O.pdb: