Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMNTQREQLIHTWLTSVLENDQFQIAYLAGDASFRRYACIQLQNKTYMLMDAPPEKEDCVPFVTIDEFFAGHGVRVPQIVAKDLNQGFLLLEDFGDVLLSTLLNDETVDQYYEQSFKQLIHLQSINGAEHFLAYSYEKLLSEMQLLTDWMLPSLDIHPTAEQKKTIDDAFDFLAQAALAQPQVIVHRDFHSRNLMKIANEEELGVIDFQDAVIGADTYDLISITRDAYVQWNAERVYQWFKVFYELLPASARQNRSFDQFKRDADLMAIQRHIKILGIFVRLFERDGKSGYLKDLPRVMWYLLEESRGYHELDDFMAFIHSSVMPKFIEKYGPYEVAA 1XAH Chain:A ((172-245)) ------------------------------------------------------------------------------------------ILSGYAEVYKHALLNGESATQDIEQHFKDREILQSLNGMDKYIAKGIETKL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XAH.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 : 123 -15498 -126.00 -303.87 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -126.00 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.747

(partial model without unconserved sides chains): PDB file : Tito_1XAH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XAH-query.scw PDB file : Tito_Scwrl_1XAH.pdb: