Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQITDISQLKEAIKQYHSEGKSIGFVPTMGFLHEGHLTLADKA-RQENDAVIMSIFVNPAQFGPNEDFEAYPRDIERDAALAENAGVDILFTPDAHDMYPGEKNVTIHVERRTDVLCGRSREGHFDGVAIVLTKLFNLVKPTRAYFGLKDAQQVAVVDGLISDFFMDIELVPVDTVREEDGLAKSSRNVYLTAEERKEAPKLYRALQTSAELVQAGERDPEAVIKAAKDIIETTSGT-IDYVELYSYPELEPVNEIAGKMILAVAVAFSKARLIDNIIIDIREMERI 3LE8 Chain:B ((19-287)) -----DVADVSRALRL---TGRRVMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPM------------RTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGA---QAALDAARAVLDAAPGVAVDYLELRDI-GLGPM-PLNGSGRLLVAARLGTTRLLDNIAIEI------

General information: TITO was launched using: RESULT: Template: 3LE8.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 : 1266 -80945 -63.94 -317.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -63.94 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3LE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LE8-query.scw PDB file : Tito_Scwrl_3LE8.pdb: