Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPATKSLAELQAEVCRLDDRYLLERIIGAGSYGVVIRARDTKSDNRLVAMKRVNKEIFEEVILAKRILREIKLLAHFNDDNIIGLRNILTPEDPENFDHFYIVMDIMETDLKQVLRSGQELTEAHIQFFIYQALRALHIIHSAGVIHRDITPANILVNTNCDLKICDFGLAK---EENDQGEYMTDYVTMRWYRAPELVMEDKDYSAQIDVWGIGCILGELLGSRPLFQGKDRVNQLDKIVDVIGTPSEEDINSVGSSAAQKYLKKKSHRPQADWRQRYPTASPEALDLLRHMLVFNPKRRITVLQAMRHPFLEQLHDDADDNLSYALFRFD-ENEQKTIVDVKRAIYEESVKFHNEHPSSMRATTMYSAFNTPSVAAPSVATEGEGRSAQQTIEKNIPENVADGNFDREQV 5BUI Chain:A ((15-355)) ---------VRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVR-VAIKKISP--FEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKT-QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHD----------TRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARF----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5BUI.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 : 1647 -98582 -59.86 -301.47 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -59.86 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_5BUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUI-query.scw PDB file : Tito_Scwrl_5BUI.pdb: