Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKHYFNQDRNFWINVQQNDVLAVKNLKEEYGISDEMLTYSLDKNERARVEYDSFDEALLLVSNVPHQQKVDNHYETSPIAFILKEDGLFTFTTPNTEYVIRLIRSLLER-MPDMSVYSLLFRTLFLISDSFFPLIEEVNSERQRLNLKLREKT---TNKNLL-QLSDLEIGLVYLVTGTKQNVVLLEQIKALAIYRKLSEKEKEELDDALIEARQAVEMTNLASQILDQLSGTYNNLLNNNLNDTMKFLTVWSLILTVPTIVTGFFGMNLQLPFTHSVFGWGIALIISLVLSIWMLIALWRRIR 5N78 Chain:E ((19-257)) ----ESQPLVNAVWIDLVEPDDDERLRVQSELGQSLATRPELEDIEASARFFED--DDGLHIHSFFFFEDA-EDHAGNSTVAFTIRDGRLFTLRERELPAFRLYRMRARSQSMVDGNAYELLLDLFETKIEQLADEIENIYSDLEQLSRVIMEGHQGDEYDEALSTLAELEDIGWKVRLCLMDTQRALNFLVRKA---RLPGGQLEQAREILRDIESLLPHNESLFQKVNFLMQAAMGFINIEQNRIIK---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5N78.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 : 916 -36937 -40.32 -157.85 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain E : 0.56 3D Compatibility (PKB) : -40.32 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_5N78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5N78-query.scw PDB file : Tito_Scwrl_5N78.pdb: