Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNMVKKKITIKEVAKLSGVSITTVSLILNGNTEKFSPKTVQKVLAAKEELGYQPDYFARQMITKETKTIGVLVPDITNPFFSTLMRGIEDILYKQNFVTILCNADSDHQKEIEYLAELTRRGVDGFIIATSAVSTDAINENLKKQGRPFIVLDQKKSEG-FSDAVRTDDFRGGYLAGMHLLSLGHQTIALVYPENPPENVHA-RIEGFKSALDVYQIPHDQLILLPTQFSKQGGYQITAELLDSA--ATGVFALNDELAFGLYRGLEEAGKSIPEDYSIIGYDNIDMCEYIKPKLTTIAQPIFELGQTSAKLLLDRIQFPEKEWEEKRLPVRLEKRFSTAPLK 2PUD Chain:A ((2-331)) --------TIKDVAKRANVSTTTVSHVIN-KTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVI-PGPLEANTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSVA---

General information: TITO was launched using: RESULT: Template: 2PUD.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 : 1738 -76965 -44.28 -236.09 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -44.28 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_2PUD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUD-query.scw PDB file : Tito_Scwrl_2PUD.pdb: