Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRILSVASTERSSRMIKLWRRYKPFINAGVQELITYRVNFILYRIGDVMGAFVAFYLWKAVFDSSQESLIQGFSMADITLYIIMSFVTNLLTRSDSSFMIGEEVKDGSIIMRLLRPVHFAASYLFTELGSKWLIFISVGLPFLSVIVLMKIISGQGIVEVLGLTVLYLFSLTLAYLINFFFNICFGFSAFVFKNLWGSNLLKTSIVAFMSGSLIPLAFFPKVVSDILSFLPFSSLIYTPVMIIVGKYDASQILQALLLQFFWLLVMVGLSQLIWKRVQSFITIQGG 5DJQ Chain:O ((15-29)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLMVAFLAGFGYFIW------------

General information: TITO was launched using: RESULT: Template: 5DJQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 1 -349 -348.50 -23.23 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain O : 0.37 3D Compatibility (PKB) : -348.50 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.37 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_5DJQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DJQ-query.scw PDB file : Tito_Scwrl_5DJQ.pdb: