Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNQNNSPSDMGKIPLSDDKNLMNIAQYLKGVQQSHKRSIPPLE--QWHPKHCGKMDLTVKANGEW--WHEGQLIKRQALLDLFTKVLWKEEGKFYLKTPVEQIEIEVEDEPLLVNQVDQIEISGDEFLQLTTTNQDVILVDAEHPIFMREYAGELRPYVHVRFGINALIQRQAFYHLVNYGTLVENDKGETILQLKSGNLHLQLGT 5W5I Chain:A ((57-200)) --------------------NLLAYVKHLKGQNEEALKSLKEAENL--------VRSLVTWGNFAWMYYHMGRLAEAQTYLDKVENICKKLSNPFRYRMECPEIDCE-EGWALL-------KCGGKNYERAKACFEKVLEVDPENPESSAGYA------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5W5I.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 : 390 6240 16.00 55.22 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 16.00 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.006

(partial model without unconserved sides chains): PDB file : Tito_5W5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5W5I-query.scw PDB file : Tito_Scwrl_5W5I.pdb: