Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPINRQQHILKWLKEEGSLRISDISARFGVSEMTVYRDVNQLVQSNQVIKTAGGITLPVRTPQTDHMCSYCLKPVNQAHSVQLIT--VNQDIEQLCCAHCAFLRYADKT--EEVSHLICRDFLL----------QTTVSAGSAYFVVNAELNLHCCQPQAIPFATLDHAERFQKGFGGAVCTFDQALEDMLQDRKKRCTCTKK 2HPU Chain:A ((35-150)) ---------------------------------------------------------------------------------KAQIFLEGSPAPLFFSQVRDAIAYARGPEQIAPILVIYVNDMGAAGATWDQPGDGNWIAADKAFYVVGSARRGGMGAPEAVPFSSRDEAAAFVLAEGGQVLALADITDAMVLTPVE-------

General information: TITO was launched using: RESULT: Template: 2HPU.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 : 495 -67692 -136.75 -663.65 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -136.75 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.279

(partial model without unconserved sides chains): PDB file : Tito_2HPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HPU-query.scw PDB file : Tito_Scwrl_2HPU.pdb: