Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDRQAALDMALKQIEKQFGKGSIMKLGEKTDTRISTVPSGSLALDTALGIGGYPRGRIIEVYGPESSGKTTVALHAIAEVQQQGGQAAFIDAEHALDPVYAQKLGVNIEELLLSQPDTGEQALEIAEALVRSGAVDIVVVDSVAALVPKAEIEGDMGDSHVGLQARLMSQALRKLSGAINKSKTIAIFINQIREKVGVMFGNPETTPGGRALKFYSSVRLEVRRAEQLKQGNDVMGNKTKIKVVKNKVAPPFRTAEVDIMYGEGISKEGEIIDLGTELDIVQKSGSWYSYEEERLGQGRENAKQFLKENKDIMLMIQEQIREHYGLDNNGVVQQQAEETQEELEFEE 1MO3 Chain:A ((6-329)) --DREKALELAVAQIEKSYGKGSVMRLGDEARQPISVIPTGSIALDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGVAAFIDAEHALDPDYAKKLGVDTDSLLVSQPDTGEQALEIADMLIRSGALDIVVIDSVAALVPRAELEGEM---HVGLQARLMSQALRKMTGALNNSGTTAIFINQLR-------------TGGKALKFYASVRMDVRRVETLKDGTNAVGNRTRVKVVKNKCLAPFKQAEFDILYGKGISREGSLIDMGVDQGLIRKSGAWFTYEGEQLGQGKENARNFLVENADVADEIEKKIKEKLG----------------------

General information: TITO was launched using: RESULT: Template: 1MO3.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 : 1648 -124457 -75.52 -404.08 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -75.52 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_1MO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MO3-query.scw PDB file : Tito_Scwrl_1MO3.pdb: