Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMRQITDISQLKEAIKQYHSEGKSIGFVPTMGFLHEGHLTLADKA-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: