Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFLKIIPIPIC--GLILGLASLG-------NLFKDYHHVA--LGNLTGGISMILMIFIFVKLFILFEHTKQTLHDPIIASVSPTFTMSLMVICTYFVSYESIAPIVKFIWLCAV---IFQVILVFYFNYHHVIKADLSIEAIYPSWFI--IYVGFGVITVTAGNFFPLIGKIFFWISLICYAFLLPIIIKRVFFVRNMAHPTRPLITIVAAPGSLCLTGYLK-NFAEPNFYLVVALFALSQVLYFVVLSMLPRLFKLRFYPSYAAFTFPLVISATAIFTTVHYFNSLGIYSSVLDFLKVAECLFASVVVFYVLAHYVRFLIKEHSKHGKFVSKKIA 3M75 Chain:A ((8-222)) --------PLPTGYFGIPLGLAALSLAWFHLENLFPAARMVSDVLGIVASAVWILFILMYAYKLRYYFEEVRAEYHSPVRFSFIALIPITTMLVGDILYRWNPLIAEV-LIWIGTIGQLLFSTLRVSELWQGGVFEQ----KSTHPSFYLPAVAANFTSAS-LALLGYHDLGYLFFGAGMIAWIIFEPVLLQHL-RISSLEPQFRATMGIVLAPAFVCVSAYLSINHGE-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3M75.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 : 791 -144850 -183.12 -735.28 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -183.12 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_3M75.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M75-query.scw PDB file : Tito_Scwrl_3M75.pdb: