Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFLKIIPIPICGLILGLASLGNLFKDYHHVA--LGNLTGGISMILMIFIFVKLFILFEHTKQTLHDPIIASVSPTFTMSLMVICTYFVSYESIAPIVKFIWLCAV---IFQVILVFYFNYHHVIKADLSIEAIYPSWFI--IYVGFGVITVTAGNFFPLIGKIFFWISLICYAFLLPIIIKRVFFVRNMAHPTRPLITIVAAPGSLCLTGYLK-NFAEPNFYLVVALFALSQVLYFVVLSMLPRLFKLRFYPSYAAFTFPLVISATAIFTTVHYFNSLGIYSSVLDFLKVAECLFASVVVFYVLAHYVRFLIKEHSKHGKFVSKKIA 3M76 Chain:A ((16-222)) -------IPLGLAALSLAWFHLENLFPAARMVSDVLGIVASAVWILFILMYAYKLRYYFEEVRAEYHSPVRFSFIALIPITTMLVGDILYRWNPLIAEV-LIWIGTIGQLLFSTLRVSELWQGGVFEQ----KSTHPSFYLPAVAANFTSAS-LALLGYHD-GYLFFGAGMIAWIIFEPVLLQHL-RISSLEPQFRATMGIVLAPAFVCVSAYLSINHGE-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3M76.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 : 770 -142294 -184.80 -722.30 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -184.80 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_3M76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M76-query.scw PDB file : Tito_Scwrl_3M76.pdb: