Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHDPVLESHHLVCEKPQTRRGIERRLALLLSATELFLEKGYDAVSLDDIVNHAGGSKTSIYKYFGNKDGLFTAICDYRREMFFKDICIAFQ--PEQTSLKDYLIQTLIRFYKHIIQPEHIAFLRLVIEQTQCNATLSQYLYEKCALDVQNTIAQALLISHQSGEITCTFPDHSSLMYFGILRDIE-WRTIMGMPLPPNETEVIDYINYCVDIFLKGHHKV 3BHQ Chain:A ((7-207)) -----------------ETRSARKDREIIQAATAAFISKGYDGTSMEEIATKAGASKQTVYKHFTDKETLFGEVVLSTASQVNDIIESVTTLLSEAIFMEGGLQQLARRLIAVLMDEELLKLRRLIIANADRMPQLGRAWYEKGFERMLASTASCFQKLTNRGLIQTGDPYLAASHLFGMLLWIPMNEAMFTGSNRRSKAELERHADASVEAFLAVYG--

General information: TITO was launched using: RESULT: Template: 3BHQ.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 : 758 -48156 -63.53 -243.21 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -63.53 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_3BHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BHQ-query.scw PDB file : Tito_Scwrl_3BHQ.pdb: