Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKI---ENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDY-HSSEP-AKMNHKSYPTHKEQVRFLTAY--------------DKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA 3LQ3 Chain:A ((105-390)) -----------------------------------------------------------REVLLRLYGAILQGVDSLVLESVMFAILAERSLGPQLYGVFPEGRLEQYIPSRPLKTQELREPVLSAAIATKMAQFHGMEMPF---TKEPHWLFGTMERYLKQIQDLPPTGLPEMNL--------LEMYSLKDEMGNLRKLLESTPSPVVFCHNDIQEGNILLLSEP---DSLMLVDFEYSSYNYRGFDIGNHFCEWVYDYTHEEWPFYKARPTDYPTQEQQLHFIRHYLAEAKKGETLSQEEQRKLEEDLLVEVSRYALASHFFWGLWSILQASMSTIEFGYLDYAQSRFQFYFQQ---------

General information: TITO was launched using: RESULT: Template: 3LQ3.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 : 1042 -51704 -49.62 -195.85 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -49.62 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_3LQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3lq3-query.scw PDB file : Tito_Scwrl_3LQ3.pdb: