Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKHYFNQDRNFWINVQQNDVLAVKNLKEEYGISDEMLTYSLDKNERARVEYDSFDEALLLVSNVPHQQKVDNHYETSPIAFILKEDGLFTFTTPNTEYVIRLIRSLLER-MPDMSVYSLLFRTLFLISDSFFPLIEEVNSERQRLNLKLREKT---TNKNLL-QLSDLEIGLVYLVTGTKQNVVLLEQIKALAIYRKLSEKEKEELDDALIEARQAVEMTNLASQILDQLSGTYNNLLNNNLNDTMKFLTVWSLILTVPTIVTGFFGMNLQLPFTHSVFGWGIALIISLVLSIWMLIALWRRIR 5N77 Chain:B ((19-257)) ----ESQPLVNAVWIDLVEPDDDERLRVQSELGQSLATRPELEDIEASARFFED--DDGLHIHSFFFFEDA-EDHAGNSTVAFTIRDGRLFTLRERELPAFRLYRMRARSQSMVDGNAYELLLDLFETKIEQLADEIENIYSDLEQLSRVIMEGHQGDEYDEALSTLAELEDIGWKVRLCLMDTQRALNFLVRKA---RLPGGQLEQAREILRDIESLLPHNESLFQKVNFLMQAAMGFINIEQNRIIK---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5N77.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 : 925 -36740 -39.72 -157.01 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -39.72 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_5N77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5N77-query.scw PDB file : Tito_Scwrl_5N77.pdb: