Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPDTSMKRVVVKIGSSSLTSLHGEISIRKLEALVDQVVKLKDAGYEVILVSSGAVAAGYR--KLGFIQ------RPEKLPEKQASASIGQGLLMEAYSKLFLAHGYVASQI------LITRSDFSDEYRYN------NV-RNTMNVLLERGIIPIINENDTVTVNRLKFGDNDTLAAKVAGLIDADMLVILSDIDGLYDGNPRTNPEAKKIQRVSEITPDIEACAGDTGSIVGTGGMRSKLDAFKIVMASGIK-GFLGQADAGDILY-HAVHEQAEGTYFEAEGTLPLNQKEQWIAFNSGPEGEMILSDDCSRKITNGQSSLYLDGVQKIKGKFKSGSVVRLMDSKGTEIGLGIVNYSSVQLQEPEKKKELTNRALIDQEAFVCHVDFSLPVN 2RD5 Chain:A ((33-298)) ---KFRGKTIVVKYGGAAMTSP------ELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKED--P-SSLIKEIDI--KGVKKMI---EDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2RD5.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 : 1245 -37011 -29.73 -152.31 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -29.73 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_2RD5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RD5-query.scw PDB file : Tito_Scwrl_2RD5.pdb: