Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDQLQIKDLEMFAYHGLFPSEKELGQKFIVSAILSYDMTKAATDLDLTASVHYGELCQQWTTWFQETSEDLIETVAYKLVERTFESYPLVQEMKLELKKPWAPVHLSLDTCSVTIHRRKQRAFIALGSNMGDKQANLKQAIDKLRA-RGIHILKESSVLATEPWGGVEQDSFANQVVEVETWLPAQDLLETLLAIESELGRVREVHWGPRLIDLDLLFVEDQILYTDDLILPHPYIAERLFVLESLQEIAPHFIHPILKQPIRNLY---DALKK 3QBC Chain:A ((6-159)) ------------------------------------------------------------------------------------------------------------------------QAYLGLGSNIGDRESQLNDAIKILNEYDGISVSNISPIYETAPVGYTEQPNFLNLCVEIQTTLTVLQLLECCLKTEECLHRIRKERWGPRTLDVDILLYGEEMIDLPKLSVPHPRMNERAFVLIPLNDIAANVVEPRSKLKVKDLVFVDDSVKR

General information: TITO was launched using: RESULT: Template: 3QBC.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 : 740 -20968 -28.33 -139.78 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -28.33 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3QBC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QBC-query.scw PDB file : Tito_Scwrl_3QBC.pdb: