Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIRVETQMYKSYLFGSKSLLLISLSMLPMFVSAKTILILGDSISAGYGIDPKQGWVQLLQKRLDQQYPKQHKVVNASVSGETTSGALARLPKLLQTYKPEVVVIELGGNDGLRGQPPQMIQQNLSQLIQLSQKQKAKVILFGMKIPPNYGTAYSKAFENNYKTVSQKYQVKLLPFFLDGVAGQKQLMQNDLIHPNAQAQSKLLNLAYPYIKGAL 3HP4 Chain:A ((2-181)) ---------------------------------DNTILILGD-LSAAYGLQQEEGWVKLLQDKYDAEQS-DIVLINASISGETSGGALRRLDALLEQYEPTHVLIELGANDGLRGFPVKKMQTNLTALVKKSQAANAMTALMEIYIPPNYGPRYSKMFTSSFTQISEDTNAHLMNFFMLDIAGKSDLMQNDSLHPNKKAQPLIRDEMYDSIKKW-

General information: TITO was launched using: RESULT: Template: 3HP4.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 : 903 -100919 -111.76 -563.79 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -111.76 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.704

(partial model without unconserved sides chains): PDB file : Tito_3HP4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HP4-query.scw PDB file : Tito_Scwrl_3HP4.pdb: