Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRPVPADLLEITDALLPGAPLDSARLAEHGNMHHVVLLPGIAAVRVSKRAGAAAELPRRVGILHAVAAAGMPFAVPEPMTAVTTFGERAAVAVSWIDGASLPEG----------TGDPTVFGPLLDALREVRISPELEAALHRPRRRADDGSGWADILNNQ---VI--PRLPARWRDRVRQRSDELLAI---EEVPASLVHGDLGGGNVHFGADGTLTGVLDWDMAILSDPAIDAALVATWH----GWHMLRAAT-------DEQIYRRAGAWDAAVGAGHLHAILRGRPLSNVDGFVRSVIAWLEDPGRCRDR 4DCA Chain:A ((25-294)) ---LDAEIYEHLNK----QIKINELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQS-----DRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSD-AL-VNK-KDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRN-NRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERKAELNDVYWSIDQIIYG-----------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 950 -66817 -70.33 -277.25 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -70.33 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: