Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTMSAIT----AAAAVTSCFTGFGAASFSAPAKAA-AQTNTLSENTNQSAAELVKNLYNTAYKGEMPQQAQG------------LTINKSTKGDVHAAFGEPERPVGGDNRFDLYHWNMGQPGYG-FSYHKDMTIS-------EIRYFGTGVERQLNLG---GVTPEVLQKQLGPVNRVLTVPFTDEIDYVYDTGRYEL---HFVIGTDQTADHVNLKAK 4QRK Chain:A ((9-220)) KPKEEIKIVEPNGAEKTKLNLNFGVGKLNISGNEEKLMKGKFIYSENEWKPEIKYEVKDKDGELEISQPGLKSGNVSLNNKRNEWNINLNEKIPTEIKLSLGT------GEFKADLSKINLKELNVGMGVGKVDLDISGNYKNNVKVNIEGGVGEATVYLPKSIGVKIKA-EKGVGAVN---ANGFIVEGENIYKNSQYGKSKNSIEVNIEAGVGAINIKQK

General information: TITO was launched using: RESULT: Template: 4QRK.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 : 1026 -41050 -40.01 -226.79 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -40.01 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.080

(partial model without unconserved sides chains): PDB file : Tito_4QRK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QRK-query.scw PDB file : Tito_Scwrl_4QRK.pdb: