Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKRTIEQILDELRRGRRPLLADKPAESDASRYDCLRCKDQGGYLVRQNGLEVWTMCSCMAERKVKRLLGASEITHAFRQLGFKEFRTEGKPQAIKDAFECTKEYVADYEQIKDCRKNSIALLGQPGSGKTHLLTAAANELMRTCYVPVIYFPFVEGFTDLKNDFALLEAKLNRMKQADVLFIDDLFKPVNGKPRATDWQLEQMYSVLNYRYLNHKPILLSSELTIEGLVRVDEALGTRIYEMCSDYLVII--KGAAYELNHRLEGVR 2QGZ Chain:A ((100-300)) ---QKQAAISERIQLVSLPKSYRHIHLSDIDV-------------------------------NNASRMEAFSAILDFVEQYPSA------------------------------EQKGLYLYGDMGIGKSYLLAAMAHELSEKKGVSTTLLHFPSFAIDVKNAIS--KEEIDAVKNVPVLILDDI-----GAVRD-----EVLQVILQYRMLEELPTFFTSNYSFADLERKWAWQAKRVMERVRYLAREFHLEGANRR---------

General information: TITO was launched using: RESULT: Template: 2QGZ.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 : 854 -98286 -115.09 -543.02 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -115.09 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_2QGZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QGZ-query.scw PDB file : Tito_Scwrl_2QGZ.pdb: