Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHYTGIDQLINSFDQALRSLVPGATAAQRQNPAETVEAKLGVEDARHVAGLMRVNHSGEVCAQALYHGQALTAKL---PNVRREMQQAAIEEQDHLAWCEDRLKELNSHTSLLNPIWYGLSYGMGALAGIAGDKYSLGFVAETERQVSLHLQDHLNQLPAQDERSRKILEQMNEDELHHRHTALEAGGVELPYAVKITMTAISKLMTKTSYYL 3AK8 Chain:B ((19-162)) --------------------------------------NDVSESDKKATVELLNRQVIQFIDLSLITKQAHWNMRGANFIAVHEMLDGFRTALTDHLDTMAERAVQLGGVALGTTQVINSKTPLKSYPLDIHNVQDHLKELADRYAVVANDVRKAIGEAK--DEDTADIFTAASRDLDKFLWFI------------------------------

General information: TITO was launched using: RESULT: Template: 3AK8.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 : 587 -3077 -5.24 -21.82 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -5.24 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_3AK8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AK8-query.scw PDB file : Tito_Scwrl_3AK8.pdb: