Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEADALSPVGLGLLLLPFLVTLLAALCVRCRELPVSYDSTSTESLYPRSILIKPPQITVPRTPAVSYPLVTSFPPLRQPDL-----LPIPRSPQPLGGSHRMPSSQQNSDDANSVASYENQEPACKNV------DADEDEDDYPNGYLVVLPDSSPAAVPVVSSAPVPSNP---DLGDSAFSVESCEDYVNVPESEESAEASLDGSREYVNVSPEQQPVTRAELASVNSQEVEDEGEEEGVDGEEAPDYENLQELN 2XYB Chain:A ((295-406)) ----------------------------------------------------------------------TPTKPLNEVDLHPLSPMPVPGSPEP-GGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAV-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XYB.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 : 227 11504 50.68 117.38 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 50.68 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.244

(partial model without unconserved sides chains): PDB file : Tito_2XYB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XYB-query.scw PDB file : Tito_Scwrl_2XYB.pdb: