Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPDTSMKRVVVKIGSSSLTSLHGEISIRKLEALVDQVVKLKDAGYEVILVSSGAVAAGYRKLGFIQRPEKLPEKQASASIGQGLLMEAYSKLFLAHGYVASQILITRSDFSDEYRYNNVRNTMNVLLERGIIPIINENDTVTVNRLKFGDNDTLAAKVAGLIDADMLVILSDIDGLYDGNPRTNPEAKKIQRVSEITPDIEACAGDTGSIVGTGGMRSKLDAFKIVMASGIKGFLGQADAGDILYHAVHEQAEGTYFEAEGTLPLNQKEQWIAFNSGPEGEMILSDDCSRKITNGQSSLYLDGVQKIKGKFKSGSVVRLMDSKGTEIGLGIVNYSSVQLQEPEKKKELTNRALIDQEAFVCHVDFSLPVN 2W21 Chain:A ((5-258)) -------QTLVVKLGTSVLTGGSRRLNRAHIVELVRQCAQLHAAGHRIVIVTSGAIAAGREHLGYPELPATIASKQLLAAVGQSRLIQLWEQLFSIYGIHVGQMLLTRADMEDRERFLNARDTLRALLDNNVVPVINENDAVATA-IKVGDNDNLSALAAILAGADKLLLLTDQKGLYTADPRSNPQAELIKDVYGIDDALRAIAG---------GMSTKLQAADVACRAGIDTIIAAGSKPGVIGDVMEGISVGTLFHAQ--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W21.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 : 1298 -155414 -119.73 -636.94 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -119.73 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_2W21.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W21-query.scw PDB file : Tito_Scwrl_2W21.pdb: