Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNQNNSPSDMGKIPLSDDKNLMNIAQYLKGVQQSHKRSIPPLEQWHPKHCGKMD-LTVKANGEWWHEGQLIKRQALLDLFTKVLWKEEGKFYLKTPVEQIEIEVEDEPLLVNQVDQIEISGDEFLQLTTTNQDVIL-VDAEHPIFMREYAGELRPYVHVRFGINALIQRQAFYHLVNYGTLVENDKGETILQLKSGNLHLQLGT 2RA9 Chain:A ((22-147)) ---------------------------------------------------SEVPLFDINALGDWTYLGTSLP-AKFAKLFASILHCIDDEYFLITPVEKVRVQVEDAPLLIVDFERAQ--PHSLLNVSTSIGTLHHNVDI-KQMKL----TDDSVYLPLERGLWGKLGRACYYNFVNEFNLSDL--------------------

General information: TITO was launched using: RESULT: Template: 2RA9.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 : 542 -10549 -19.46 -85.07 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -19.46 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.299

(partial model without unconserved sides chains): PDB file : Tito_2RA9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RA9-query.scw PDB file : Tito_Scwrl_2RA9.pdb: