Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTKNLLSHEDIQRLVKVNFGEEYEH-----KIGEIKELKGGMFNAIYLIQRVDEKNGIVLKVGVAPGRDLLTYEQDIMPTEVACYQLIKE-KTSIPIPEILKYDFSKKYIDSNYFFMEELKG--VPLSKASKLMNKPSLDKIKSKLAEYLVQLHKIEGNY-FGYFTD---EKKYQYDTWKNAFLSMFG--QLLEDCKFHKVNIPYERIEQA---LKYNIQFLEEIKKPSLVMFDCHEGN-VFVNKRNGEYEIQGIIDFERAFWGDPAADFPAAFIMS-DDIRKEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 3HAV Chain:A ((6-240)) ----------------------AEIYEHLNKQIKINELRYLSSGDDSDTFLCNE-----QYVVKV---PKRDSVRISQ---KREFELYRFLENCKLSYQIPAVV-------YQSDRFNIMKYIKGERITYEQYHKLSEKEK-DALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILNNAVLFKYT---------PCLVHNDFSANNMIFRNNR-----LFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKE--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HAV.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 : 746 -4450 -5.96 -20.89 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -5.96 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_3HAV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3hav-query.scw PDB file : Tito_Scwrl_3HAV.pdb: