Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIEPIPPSLPLLTKGEFYLEDEEIFSGLLINGGDQSYLDAKNMVLRESHIQKLTMQKTVLRHFECSNVIFEKCDFSNL-----EWIGGSFHQVVFH----------QCKLTGTNFAESYLRDCTFTDCIASMASFSSTNLKAVSFDHCQLEDSEFYEVTWKNLFLSDNQLTGSNWFRTSLKGLDFTTNFFTAIALSQDSLAGLIVNQEQALVIAQALGLQIKD 2BM4 Chain:A ((19-178)) -------------------------------------------------------------LSRLHTERAMFSECDFSGVNLAESQHRGSAFRNCTFERTTLWHSTFAQCSMLGSVFVACRLRPLTLDDVDFTLAVLGGNDLRGLNLTGCRLRETSLVDTDLRKCVLRGADLSGARTTGARLDDADLRGATVDPVLWRTASLVGARVDVDQAVAFAAAHGL----

General information: TITO was launched using: RESULT: Template: 2BM4.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 : 900 -123071 -136.75 -848.77 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -136.75 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_2BM4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BM4-query.scw PDB file : Tito_Scwrl_2BM4.pdb: