Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPFWYNTALHLLKPFYRWRIKRRAESLELYQQECLERFGPFEAPKNVKAIWFHAVSVGETNAAQPLIEYYLKLGQPVLVTNTTKTGQARAKSLFLKEPYLDLFQAVYLPVDQKPLLKKFFELYQPKLLALVETELWPNLIDQAKLQHVPCLLLNARLSEKSAKGYGKVSGLTAGMLKQLDWVLAQDSATRQRYVELGLDEHKSQVVGNIKFDIHAPEAFIKQAAQLRQQWYLENRQVVTIASTHAPEE--QQILEAFAPYLNSDRELVCIVVPRHPERFDEVFEICQNLNLITHRRSMGQSIHASTQVYLAD--SMGELWLWYALSQVCFVGGSLNEPGGGHNILEPMVLNVPTVVGPRYFNFQTIVDEFIDENA---VLIAQDAQQVVDIWLACLAEPEATEQLVAQAHKVLQR-NQGSLQKHIGVINRYLAEKS------ 2GEK Chain:A ((21-393)) --------------------------MRIGMVCPYSFDVPG------------------GVQSHVLQLAEVLRDAGHEVSVLAPASPHVKLPDYVVSGGK-------AVFGPATHRKVKKWIAEGDFDVLHIHEPNAPSLSMLALQAAEGP-IVATFHTSTTKSLTLSVFQGILRPYHEKIIGRIAVSDLARRWQMEALGS--------DAVEIPNGVDVASFADAPLLDGYPREGRTVLFLGRYDEPRKGMAVLLAALPKLVARFPDVEILIVGRGD-----------------EDELREQAGDLAGHLRFLGQVDDATKASAMRSADVYCAPHLGGESFG-IVLVEAMAAGTAVVASD-----LDAFRRVLADGDAGRLVPVDDADGMAAALIGILEDDQLRAGYVARASERVHRYDWSVVSAQIMRVYETVSGAGIKVQVS

General information: TITO was launched using: RESULT: Template: 2GEK.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 : 1929 -75795 -39.29 -218.43 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -39.29 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_2GEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GEK-query.scw PDB file : Tito_Scwrl_2GEK.pdb: