Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTDKLLESLNVFIQKAEENQYKQLGEMVPDFPGKSNIPKYVEEYEKGIARLLRRQHKKFLDGLKGFVSKDSEETLKALLVFFTQNLFAEDDFEEEFQELTEGFLQQTIEEMAEVIMDSIDPEVPFKVLSNRTINWIKDWSKKLAEIMKLNTHEVVEDVLTNAIENGSSIQDIELTLKDMPQFDRERARTTAITEVLAASSAAQHESYAQSPAVKKKKWRHSGGKKNNPRENHIDLDGTVIGVDEEFQIPGSSETCMFPRDPKLSTRERVNCHCVLSPVVDSKILGLSPEEKEEIQREVLANME 3T4R Chain:A ((42-61)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AADGLTPELKEKIQNEIIEN--

General information: TITO was launched using: RESULT: Template: 3T4R.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 : 15 612 40.77 30.58 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 40.77 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.639

(partial model without unconserved sides chains): PDB file : Tito_3T4R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3T4R-query.scw PDB file : Tito_Scwrl_3T4R.pdb: