Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNQFQSSKPIYLQIADQIFYRLVRKELLPGDKLPSVREMAIQTKVNPNTIQRTYSEMERLGIVETRRGQGTFIAEKAEIVDELKDKLTREV-LEGFVKQMKELGLTKEEMLEGIKTFTEGG 4WWC Chain:B ((4-109)) MNINKQSPIPIYYQIMEQLKTQIKNGELQPDMPLPSEREYAEQFGISRMTVRQALSNLVNEGLLYRLKGRGTFVS---------KPKMEQ--GLTSFTEDMKSRGMT---------------

General information: TITO was launched using: RESULT: Template: 4WWC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 297 -28356 -95.47 -298.48 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -95.47 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.683

(partial model without unconserved sides chains): PDB file : Tito_4WWC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WWC-query.scw PDB file : Tito_Scwrl_4WWC.pdb: