Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMLAQLQNRFDQWVEQIVQYLDRLSVRERIMVVFTTIFVVVVIVGYSLWKMHSLAEQQQKRLNDLKDLMVWMQSNAVTMKPANELELDKSGKIQRVAQQQGLTVSSQQN-GEQLQIVVTHQNYAILANFLIQLA--QMGLSIQKMEMVSSEGQIKLTATV 3TRG Chain:A ((23-86)) -------------------------------------------------------------------------------------QGVFFRESVRKKAEELQLTGWVKNLSHGDVELVAC-GERDSIMILTEWLWEGPPQAAVSNVNWEE-----------

General information: TITO was launched using: RESULT: Template: 3TRG.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 : 191 -7377 -38.62 -120.93 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -38.62 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.582

(partial model without unconserved sides chains): PDB file : Tito_3TRG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TRG-query.scw PDB file : Tito_Scwrl_3TRG.pdb: