Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPATKSLAELQAEVCRLDDRYLLERIIGAGSYGVVIRARDTKSDNRLVAMKRVNKEIFEEVILAKRILREIKLLAHFNDDNIIGLRNILTPEDPENFDHFYIVMDIMETDLKQVLRSGQELTEAHIQFFIYQALRALHIIHSAGVIHRDITPANILVNTNCDLKICDFGLAK---EENDQGEYMTDYVTMRWYRAPELVMEDKDYSAQIDVWGIGCILGELLGSRPLFQGKDRVNQLDKIVDVIGTPSEEDINSVGSSAAQKYLKKKSHRPQADWRQRYPTASPEALDLLRHMLVFNPKRRITVLQAMRHPFLEQLHDDADDNLSYALFRFD-ENEQKTIVDVKRAIYEESVKFHNEHPSSMRATTMYSAFNTPSVAAPSVATEGEGRSAQQTIEKNIPENVADGNFDREQV 4IZ7 Chain:C ((7-350)) ------PEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVR-VAIKKISP--FEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKT-QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADP---------EYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARF----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IZ7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1676 -105907 -63.19 -319.96 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -63.19 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_4IZ7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IZ7-query.scw PDB file : Tito_Scwrl_4IZ7.pdb: