Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNMVKKKITIKEVAKLSGVSITTVSLILNGNTEKFSPKTVQKVLAAKEELGYQPDYFARQMITKETKTIGVLVPDITNPFFSTLMRGIEDILYKQNFVTILCNADSDHQKEIEYLAELTRRGVDGFIIATSAVSTDAINENLKKQGRPFIVLDQKKSEGFSDAVRTDDFRGGYLAGMHLLSLGHQTIALVYPENPPENVHARIEGFKSALDVYQIPHDQLILLPTQFSKQGGYQITAELLDSAATGVFALNDELAFGLYRGLEEAGKSIPEDYSIIGYDNIDMCEYIKPKLTTIAQPIFELGQTSAKLLLDRIQFPEKEWEEKRLPVRLEKRFSTAPLK 4RK1 Chain:A ((8-280)) ------------------------------------------------------------------KTIGVLVPDITNPFFSTLMRGIEDILYKQNFVTILCNAD------IEYLAELTRRGVDGFIIATSAVSTDAINENLKKQGRPFIVLDQKKSEGFSDAVRTDDFRGGYLAGMHLLSLGHQTIALVYPENPPENVHARIEGFKSALDVYQIPHDQLILLPTQFSKQGGYQITAELLDSAATGVFALNDELAFGLYRGLEEAGKSIPEDYSIIGYDNIDMCEYIKPKLTTIAQPIFELGQTSAKLLLDRIQFPEKEWEEKRLPVRFEKRFSTAPLK

General information: TITO was launched using: RESULT: Template: 4RK1.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 : 1555 -148585 -95.55 -556.50 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -95.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_4RK1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RK1-query.scw PDB file : Tito_Scwrl_4RK1.pdb: