Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVAGLTNGELIAPMTYEEMVTSDFFEAWFQKFLLPTLTTPSVIIMDNARFHRMGKLELLCEEFGHKLLPLPPYSPEYNP-IEKTWAYIKKNLKKVLPSCNTFYEALFSCSCFN 3VQ6 Chain:A ((57-110)) ----------------------------------------KTVHTDNGSNFTSTTVKAACDWAGIKQEDGIP-------VIESMNKELKKIIGQ-------------------

General information: TITO was launched using: RESULT: Template: 3VQ6.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 : 80 -7131 -89.14 -155.02 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -89.14 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_3VQ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VQ6-query.scw PDB file : Tito_Scwrl_3VQ6.pdb: