Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKEAGPFPVKKEQFRMTVNGQAWEVAAVPTTHLSDLLRKEFQLTGTKVSCGIGRCGACSILIDGKLANACMT-MAYQADGHSITTIEGL-QKEELDMCQTAFLEEGGFQCGYCTPGMIIALKALFRETPQPSDKDIEEGLAG--NLCRCTGYGGIMRSACRIRRELNGGRRESGF 4US8 Chain:A ((3-163)) --------------QKVITVNGIEQNLFVDAEALLSDVLRQQLGLTGVKVGCEQGQCGACSVILDGKVVRACVTKMKRVADGAQITTIEGVGQPENLHPLQKAWVLHGGAQCGFCSPGFIVSAKGLLDTNADPSREDVRDWFQKHRNACRCTGYKPLVDAVMDAAAVINGKKPET--

General information: TITO was launched using: RESULT: Template: 4US8.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 : 827 -53319 -64.47 -339.61 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -64.47 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_4US8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4US8-query.scw PDB file : Tito_Scwrl_4US8.pdb: