Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYCIFLTYLIKYAIIISEKGGETMANTTMNPSTARKNFYQLLKEVNENHTEIEIISDRSGNNAVLIGLEDWRAIQETLFLEQTG-TLDKVRDREKDDSSFTNIDDIDWEAL 3K33 Chain:C ((2-69)) ---------------------------QSINFRTARGNLSEVLNNVEA-GEEVEITRR-GREPAVIVSKATFEAYKKAALDAEFASLFDTLDSTNKE---------------

General information: TITO was launched using: RESULT: Template: 3K33.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 130 -12742 -98.01 -190.17 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain C : 0.66 3D Compatibility (PKB) : -98.01 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_3K33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K33-query.scw PDB file : Tito_Scwrl_3K33.pdb: