Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKMRLKHIILTTCLCSTLAMAELPQDSRRPGGIAVIPLTSDITQVTFQHKPVLISQEGQQRYAVFGIPLSTPLGSVQLETNKAPIQIEVKSYPYAEQRLKVTNQDYVNPNQSQLDRYAQEAKEQNDVYSSFTQSSWQALPKFIRPTSGKFTNSFGRKRFFNGEERAPHSGLDIPAPIGQKVVAPADGVVVQTGHYFFNGQTVLIDHGQGLISMFCHLSEIRVEKGQHIRQGETLGLVGKTGRVTGPHLHWGMSLNNARVDPQLFLTTTH 3SLU Chain:A ((246-338)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------HTGIDYAAPQGTPVRASADGVITFKGRKGGYGNAVMIRHANGVETLYAHLSAFSQAQG-NVRGGEVIGFVGSTGRSTGPHLHYEARINGQPVNP--------

General information: TITO was launched using: RESULT: Template: 3SLU.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 : 452 -35538 -78.62 -382.12 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -78.62 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_3SLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SLU-query.scw PDB file : Tito_Scwrl_3SLU.pdb: