Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTFSSLKRLARYIRPYRETFLLVILFTVLTVAFNVALPYVTGLPTTEISRNIANGESINFSYIFKCLIWITVVGIGYCISQLLSGVLMTNVVQSAMHDLRRDIEEKINRLPVSYFDKNQQGNILSRVTNDVDAVSGALQQAFIGIVNAILGITLAAAMMFYIQPMMALISMIMIPTSIWISKRVINASQKYFQSMQNSLGELNGYVQENMTGFSVLKVYGREKETLEGFKKVNHSLKYFGFRAAFISGLMMPLVQLTAYATYIGMAVLGSFYVITGAIVVGQLQAFIQYIWQISQPMGNVTQLSSVLQSASAATKRVFEILDEPEEKENKVDASLPETILGDVTFDHVDFAYDPKKPLIQDLNFEVKAGQTVAVVGPTGAGKTTLINLLMRFYDVDKGAIRIDGIDTKSMSRSDVRSLFGMVLQDAWLYQGTIADNIRFGKLDATDYEVVDAAKTANVDHFIRTMPDGYDMAINSEGDNVSLGQKQLLTIARAVVSDPKILILDEATSSVDTRLEALIQKAMDRVMEGRTSFVIAHRLSTIRDADLILVMDQGQIIEKGTHESLLAQGGFYEKLYNSQFAEEAE 3QF4 Chain:B ((24-591)) ------TLRRLLGYLRPHTFTLIMVFVFVTVSSILGVLSPYLIGKTIDVVFVPRR------FDLLPRYMLILGTIYALTSLLFWLQGKIMLTLSQDVVFRLRKELFEKLQRVPVGFFDRTPHGDIISRVINDVDNINNVLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEKFDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAV-ELREVRGEIEFKNVWFSYDKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQY-----

General information: TITO was launched using: RESULT: Template: 3QF4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2244 -331238 -147.61 -583.16 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -147.61 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_3QF4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QF4-query.scw PDB file : Tito_Scwrl_3QF4.pdb: