Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTKNLLSHEDIQRLVKVNFGEEYEHKIGEIKELKGGMFNAIYLIQRVDEKNGIVLKVGVAPGRDLLTYEQDIMPTEVACYQLIKEKTSIPIPEILKYDFSKKYIDSNYFFMEELKGV-PLSKASKLMNKPSLDKIKSKLAEYLVQLHKIEGNYFGYFTDEKKYQYDTWKNAFLSMFGQLLEDCKFHKVNIPYERIEQALKYNIQFLEE-IKKPSLVMFDCHEGNVFVNKRNGEYEIQGIIDFERAFWGDPAADFPAAFIMS-DDIRKEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 4R7B Chain:A ((21-300)) ---------MEKIIKEKISSLLSQEE--EVLSVEQL-GGMTNQNYLAKTTNK--QYIVKFFGKGTEK-----LINRQDEKYNLELLKD-LGLDVKNYLFDI------EAGIKVNEYIESAITLDST-------SIKTKFDKIAPILQTIHTSAKELRGEFA-----PFEEIKK-YESLIEEQIPY-------ANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQ---GRL-YLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQT------PVSHEKIAIYKILQDTIWSLWTVYKEEQGE-DFGDYGVNRYQRAVKGL--

General information: TITO was launched using: RESULT: Template: 4R7B.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 : 1330 -32725 -24.61 -118.14 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -24.61 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_4R7B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r7b-query.scw PDB file : Tito_Scwrl_4R7B.pdb: