Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MPFFGFTPSEGLLNDIQTGIANKNSSEPLYPLRDKIALQLNEEIIENVLTQLVQHFPASEKRDTAEKLAGYVKSTVAVLLKQ--LLSKAPNDVVKQSVEFSEKSLFKDPQGQYKVGVALDAGLVTNLKHNFAELQAG-NDINKAALAELYKQFGDAMVRHFMSDFNKTL-DLGMIKRKAADIGAAAVTKAV--HIAIDKLIPSLNRTELKAMAEYHDGLFFN-------------------------------------------------------------------------------------- 5IRL Chain:A ((5-830)) EAAACKKYMSKLRTIVAAQSRFLNLCLEDIYTENTLEVRTAALGLEELFSDADTVLVVGEAGSGKSTLLQQVHLLWATGQDFQEFLFVFPFSCRQLQCVARPLSVMTLLFEHCCWPDVGQQDVFQFLLDHPDRILLTFDGFDEFKFKFTDHERHCSPTDPTSVQTLLFNLLQGNLLKNARKVLTSRPDAVSAFLRKYVRTEFNLKGFSEEGIELYLRKCHREPGVADRLIHLLQTTSALHGLCHLPVFSWMVSKCHQELLLQDGGSPKTTTDMYLLILQHFLRHASLLQGRLPTLLRLGQLALWGLGMCCYVFSAQQLQAAQVDPDDISLGFLVQAPLEFLHITFQCFLAAFYLVLSTDVPTASLRYLFNCSTVAALLQKTEPHNLQITAAFLAGLLSREHRDLLAACQASERSLLRRRACARWCLARSLHKHFRSIPAMPGFLWLIRSLYEMQEERLAQEAVRGLNVEHLKLTFCGVGPAECAALAFVLR-----------HLRRPVALQLDHNSVG---------------DIGVEQLLPCLGACKALYLRDNNISDRGICKLIEHALHCEQLQKLALFNNKLTDGCAHSVAQLLACKQNFLALRLGNNHITAEGAQVLAEGLRD----------NSSLQFLGFWGNKVGDKGAQALAEALSDHQSLKWLSLVGNNIGSVGAQALASMLEKNVALEELCLAANHLQDAGVCSLAEGLKRNSSLKVLKLSNNCITFVGAEALLQALASNDTILEVWLRGNPFSPEEMEALSHRDSRLLL

General information: TITO was launched using: RESULT: Template: 5IRL.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 : 748 8174 10.93 45.41 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 10.93 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_5IRL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IRL-query.scw PDB file : Tito_Scwrl_5IRL.pdb: