Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRILSVASTERSSRMIKLWRRYKPFINAGVQELITYRVNFILYRIGDVMGAFVAFYLWKAVFDSSQESLIQGFSMADITLYIIMSFVTNLLTRSDSSFMIGEEVKDGSIIMRLLRPVHFAASYLFTELGSKWLIFISVGLPFLSVIVLMKIISGQGIVEVLGLTVLYLFSLTLAYLINFFFNICFGFSAFVFKNLWGSNLLKTSIVAFMSGSLIPLAFFPKVVSDILSFLPFSSLIYTPVMIIVGKYDASQILQALLLQFFWLLVMVGLSQLIWKRVQSFITIQGG 4LD0 Chain:A ((55-99)) -----------HARVLEVLHRFRPEAVA-VQEQFFYRQNELAYKVGWALGA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LD0.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 : 31 -7982 -257.48 -204.67 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.38 3D Compatibility (PKB) : -257.48 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.38 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_4LD0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LD0-query.scw PDB file : Tito_Scwrl_4LD0.pdb: