Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFALLFIALVTAVVISACGNQSTSSKGSDTKKEQITVKHQLDKNGTKVPKNPKKVVVFDFGSLDTLDKLGLDDIVAGLPKQVLPKYLSKFKDDKYADVGSLKEPDFDKVAELDPDLIIISARQSESYKEFSKIAPTIYLGVDTAKYMESFKSDAETIGKIFDKEDKVKDELANIDHSIADVKKTAEKLNKNGLVIMANDGKISAFGPKSRYGLIHDVFGVAPADQNIKASTHGQSVSYEYISKTNPDYLFVIDRGTAIGETSSTKQVVENDYVKNVNAVKNGHVIYLDSATWYLSGGGLESMTQMIKEVKDGLEK 3GFV Chain:A ((14-297)) ---------------------------------KEQITVKHQLDKNGTKVPKNPKKVVVFDFGSLDTLDKLGLDDIVAGLPKQVLPKYLSKFKDDKYADVGSLKEPDFDKVAELDPDLIIISARQSESYKEFSKIAPTIYLGVDTAKYMESFKSDAETIGKIFDKEDKVKDELANIDHSIADVKKTAEKLNKNGLVIMANDGKISAFGPKSRYGLIHDVFGVAPADQNIKASTHGQSVSYEYISKTNPDYLFVIDRGTAIGETSSTKQVVENDYVKNVNAVKNGHVIYLDSATWYLSGGGLESMTQMIKEVKDGLEK

General information: TITO was launched using: RESULT: Template: 3GFV.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 : 1607 -176342 -109.73 -620.92 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -109.73 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_3GFV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GFV-query.scw PDB file : Tito_Scwrl_3GFV.pdb: