Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFLKIIPIPICGLILGLASLGNLFKDYHH--V---ALGNLTGGIS----MILMIFIFVKLFILFEHTKQTLHDPIIASVSPTFTMSLMVICTYFVSYESIAPIVKFIWLCAVIFQVILVFYFNYHHVIKADLSIEAIYPSWFIIYVGFGVITVTAGNF-FP-LIGKIFFWISLICYAFLLPIIIKRVFFVRNMAHPTRPLITIVAAPGSLCLTGYLKNFAEPNFYLVVALFALSQVLYFVVLSMLPRLFKLRFYPSYAAFTFPLVISATAIFTTVHYFNSLGIYSSVLDFLKVAECLFASVVVFYVLAHYVRFLIKEHSKHGKFVSKKIA 4YCR Chain:A ((1-298)) ------PLPTGYFGIPLGLAALSLAWFHLENLFPAARMVSDVLGIVASAVWILFILMYAYKLRYYFEEVRAEYHSPVRFSFIALIPITTMLVGDILYRWNP--LIAEVLIWIGTIGQLLFSTLRVSELWQGGVFEQKSTHPSFYLPAVAANFTSAS-LALLGYHDLGYLFFGAGMIAWIIFEPVLLQHLRISS-LEPQFRATMGIVLAPAFVCVSAYLSINHGEVDTLAKILWGYGFLQLFFLLRLFPWIVEKGLNIGLWAFSFGLASMANSATAFYHGNVL--------QGVSIFAFVFSNVMIGLLVLMTIYK-----------------

General information: TITO was launched using: RESULT: Template: 4YCR.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 : 1372 -242158 -176.50 -846.71 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -176.50 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.267

(partial model without unconserved sides chains): PDB file : Tito_4YCR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YCR-query.scw PDB file : Tito_Scwrl_4YCR.pdb: