Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------PEHCFVRILKYEIPIHGDGYLVGSDVNWWVG--NQKVDFHIN--NDCTIQRRGGTQEKK---------------------------------------------------------------------------------------------------------------------------------------- 3OPY Chain:I ((5-351)) DSIIRDLERENVGPEFGEFLNTLQTDLNSEKPPIEQVKSQLETHFNLAHETQEFSRKNDNAPVDKLLTNYYNNYEVNVLEFVLQMGFSRDLSIPLNVWFVLDMISQLSTSKQDLPLDYYLVLNNSQTGKYSDFVRYLIYEAVGAEIHLANRGPIRGNVGAGDRKITFHLLCKKTARMILVGDDRETDFEMSDRSFVTLLLDYYQRVGTTKKIDLLLLTNNFDTNMNNKLQQLKILESLNMLKSNCYVLDYQITVDQVTANFNSYVEGIPAFRRHEIANFLKKRKTPKNADELIFKYVGRWNICYQKKFHQGNISIHQISGYLD

General information: TITO was launched using: RESULT: Template: 3OPY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 80 7132 89.15 129.67 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain I : 0.54 3D Compatibility (PKB) : 89.15 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_3OPY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3opy-query.scw PDB file : Tito_Scwrl_3OPY.pdb: