Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MVLCDDERSAFLLVLDERLVDF---DSQGGNHISVYLVTHFELSDQ-SYKDVLSFNDDLLGMEHNCSYAMD----------ILSVKEELDFDFPFNMLAIKSYVQELIKMLGIDITLPEMKERDFDKLSQN 1WCK Chain:A ((80-215)) GLGLPAGLYAFNSGGISLDLGINDPVPFNTVGSQFGTAISQLDADTFVISETGFYKITVIANTATASVLGGLTIQVNGVPVPGTGSSLISLGAPIVIQAITQITTTPSLVEVIVTGLGLSLALGTSASIIIEKVAH-

General information: TITO was launched using: RESULT: Template: 1WCK.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 : 594 -70746 -119.10 -609.88 target 2D structure prediction score : 0.27 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -119.10 2D Compatibility (Sec. Struct. Predict.) : 0.27 1D Compatibility (Hydrophobicity) : 0.66 QMean score : -0.003

(partial model without unconserved sides chains): PDB file : Tito_1WCK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WCK-query.scw PDB file : Tito_Scwrl_1WCK.pdb: