Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MTDINDYEDAEDSAVDEDEAKAAESGAADEEAGN----LTDADLAEAETLTVT-AKQKQRQALEDEVAAFLARGGRITEVPPDEHSDR 3WX4 Chain:A ((1-98)) MIIDSQSVVQYTFKIDILEKLYKFLPNLYHSIVNELVEELHLENNDFLIGTYKDLSKAGYFYVIPAPGKNIDDVLKTIMIYVHDYE-IEDYFELEHHHH

General information: TITO was launched using: RESULT: Template: 3WX4.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 : 247 972 3.93 11.85 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 3.93 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_3WX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WX4-query.scw PDB file : Tito_Scwrl_3WX4.pdb: