Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MQIYLARNNQQAGPYTLEQLNQMLASQQVLLT-DLAWHE----GMTEWKALGELTQG----KLVYQPTGYSAFSANTNTPYNETIQHIRVETKTHELAS-------------------ISSRALAKIIDLLLWLPIAAIPSFFFNE--AQYKQLFELQKQMQSAEVASTKAAELQQQLFTLIPIEAWHTMLLYVVIMLAIQ--------------AFLLTKFGQSIGKKIVGI-RIVDAENNGKVNLTRIFLLRSVVFIILNLLFMP--------ISTIIDYAFALGQKRQALHDKIARTKVIK---------------------------------------------- 3TM4 Chain:A ((1-370)) MKFLLTTAQGIEDIAKREVSLLLKKLGISFQIEEKPLGIEGRLLLEAEKAYYVDEKGRKRELSISTYLNENSRLLHRVIIEIASEKFNGIEKDESEEALKRIKDFVSSLPVEQFVKVSETFAVRSFRKGDHNITSIDIARTVGEAIFERLSRFGTPLVNLDHPAVIFRAELIKDVFFLGIDTTGDSSLHKRPWRVYDHPAHLKASIANAMIELAELDGGSVLDPMCGSGTILIELALRRYSGEIIGIEKYRKHLIGAEMNALAAGVLDKIKFIQGDATQLSQYVDSVDFAISNLPYGSMIPDLYMKFFNELAKVLEKRGVFITTEKKAIEEAIAENGFEIIHHRVIGHGGLMVHLYVVKLEHHH

General information: TITO was launched using: RESULT: Template: 3TM4.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 : 1200 -8498 -7.08 -33.85 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -7.08 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_3TM4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TM4-query.scw PDB file : Tito_Scwrl_3TM4.pdb: