Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNPEISVVPVPETEIKKITLKNDYLEVVLLNYGARLHQIFAPDKEGKSENVLLSYDRFEDVLTDKSFFGATVGPVAGRIRDASWG----EHRLEKNCGSHHIHGGTKGWSFQFWEVEVFKTPSSIGVVFY--LKDEFSTYPGPITATITYRLTK-NELEMTTSAS-SLVETICNPTNHAYFNLSGNGTRDIYEHQLTVFLDGVLELDQEKLPTGNWTKKEKLPIDFRKSPTLQEILA-CYP-DGLDDVFLLHHPR-LSKTSLQLFEKHSGRQMTIATSNKSMVLFSTTGFEADFSVNGKQMHSNYGLAIEPQEIPDIVHFPKFGSINLHPGQERISQTIYRFSAQ 1LUR Chain:B ((12-337)) --------------SGFIEIANKQGLTATLLPFGATLAKLTFPDKNGKNQDLVLGFDTIDEFEKDAASIGKTVGRVANRIKNSTLHFDGKQYTMTPNNGPHYLHGGPNGLGYRKWEVVRHAP---ESVSFSVRANEQDDGLPGDAKIDVTYTVNDRNQLIIEHH-ATCDTPGLLALTNHAYWNLDGSD--TVAEHFLEMEADEFVEVDDTFCPTGAIRSVTDTGFDFRSGKQLKESGKDAEELLDLDNDLVITKKTP--STYLRFWSEKSGIELSITTSYPVIHLYASKFLDCKG-KKGEHYKANKALAIEPQFHSAAPNFDHFPDVSLRPGDHYCQEIVYTFSH-

General information: TITO was launched using: RESULT: Template: 1LUR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1910 25793 13.50 82.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 13.50 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_1LUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LUR-query.scw PDB file : Tito_Scwrl_1LUR.pdb: