Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADDRKAALDAALKKIEKSYGKGSIMKLGEKIDQQISTIPSGSLALDVALGVGGYPRGRIIEVYGPESSGKTTVALHAIAEVQKNGGTAAFIDAEHALDPQYAQKLGVNIDELLLSQPDTGEQGLEIADALVSSGAVDIVVVDSVAALVPRAEIDGEMGDSHVGLQARLMSQALRKLSGSINKTKTIAIFINQIREKVGVMFGNPEITPGGRALKFYATIRLEVRRAEQLKQGTDIVGNRTKIKVVKNKVAPPFKIAEVDVMYGLGISQEGELLDMAVEKDIVDKSGAWYSYKEDRIGQGRENAKIYMANHPEMMAEVSALVRAAYGIGEEVAVPEDEKGQEELPLVEE 2ZRP Chain:A ((6-331)) --PDREKALELAMAQIDKNFGKGSVMRLGEEVRQPISVIPTGSISLDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGIAAFIDAEHALDPEYAKKLGVDTDSLLVSQPDTGEQALEIADMLVRSGALDIIVIDSVAALVPRAEIEG-----HVGLQARLMSQALRKMTGALNNSGTTAIFINQLR-------------TGGKALKFYASVRLDVRRIETLKDGTDAVGNRTRVKVVKNKVSPPFKQAEFDILYGQGISREGSLIDMGVEHGFIRKSGSWFTYEGEQLGQGKENARKFLLENTDVANEIEKKIKEKLGI---------------------

General information: TITO was launched using: RESULT: Template: 2ZRP.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 : 1613 -136157 -84.41 -442.07 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -84.41 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_2ZRP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZRP-query.scw PDB file : Tito_Scwrl_2ZRP.pdb: