Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTENQNPLVLDKNEEISQQKADDIRLQLRQEPEVKRLAQQI-DVKNQMELLEYG--KEPAVEISKFSDRILGMMKTTSVTDSGTMLTQLGKIMDRFDKNDFDEPKGLM--AKIFKRGGSM--IEKIFKKYQTLGGEIEKIHVEISKYKDEMTKTNYTLDEMYENNIKYYMELEKYVVAGQMKLEEMQSILPSYEEKAASGNQLAQMQLDTLRNGIQALEERVYDLDMARMVALQTAPQIRLLQRGNAKLIGKINSAFIITIPIFKNGIIQAVTVKRQKLVADSMSELDRRTNEMLKRNAENISSQSVEIARMAGRPSIDIETIESSWNTIVSGMQETKQIEEENKRLREDGARRIAQLQDNIKKAALQQ 3O61 Chain:A ((29-142)) -----------------------------RKDGEVIRHKREVYDRGNGATILLYNTKKKTVVLIRQFR-----VATWVNGNESGQLIESCAGLLDN------DEPEVCIRKAAIEETGYEVGEVRKLFELYMSPGGVTELIHFFIAEYSD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3O61.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 : 351 -16764 -47.76 -162.75 target 2D structure prediction score : 0.27 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -47.76 2D Compatibility (Sec. Struct. Predict.) : 0.27 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.113

(partial model without unconserved sides chains): PDB file : Tito_3O61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O61-query.scw PDB file : Tito_Scwrl_3O61.pdb: