Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLKWRTVNPEETKAIAKLTAAFAKPGDVLTLEGDLGAGKTTFTKGFAEGLGITRIVNSP-------TFTIIKEYNDGVLPLYHMD------VYRMEDESEDLGLDEYFHGQGVCLVEWAHLIEEQLPQERLQIVIKRAGDDEREITFTAVGNRYEMLCEELSRHDNISN--- 1A5T Chain:? ((1-172)) MRWYPWLRPDFEKLVASYQA----GRGHHALLIQALPGMGDDALIYALSRYLLCQQPQGHKSCGHCRGCQLMQAGTHPDYYTLAPEKGKNTLGVDAVREVTEKLNEHARLGGAKVVWVTDAAL----LTDAAANALLKTLEEPPAETWFFLATREPERLLATLRSRCRLHYLAP

General information: TITO was launched using: RESULT: Template: 1A5T.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 : 674 -71657 -106.32 -477.71 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -106.32 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.267

(partial model without unconserved sides chains): PDB file : Tito_1A5T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A5T-query.scw PDB file : Tito_Scwrl_1A5T.pdb: