Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTKNLLSHEDIQRLVKVNFGEEYEHKIGEIKELKGGMFNAIYLIQRVDEKNGIVLKVGVAPGRDLLTYEQDIMPTEVACYQLIKEK-TSIPIPEILKYDFSKKYIDSNYFFMEELKGVPLSK-ASKLMNKPSLDKIKSKLAEYLVQLHKIEGNYFGYFTDEKKYQYDTWKNAFLSMFGQLLEDCKFHK-V-NIPYERIEQALKYNIQFL-EEIKKPSLVMFDCHEGNVFVNKRNGEYEIQGIIDFERAFWGDPAADFPAAFIMS---DDIRKEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 4DCA Chain:A ((25-298)) --------LDAEIYEHLNK----QIK---INELRYLSSGDDSDTFLC----NE-QYVVKVPKRDS------VRISQKRELELYRFLENCKLSYQIPAVVYQ-------SDRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSD--ALVNKKDKF-LQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRN----NRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAP------EVAERKAELNDVYWSIDQIIYGYERK------------------------

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 : 1112 -17240 -15.50 -64.81 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -15.50 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.294

(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: