Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYLKFIKKTKLILMGILIFLSSFNGVLLSGIIVYAGSLNQTSSF-SDV----LRFGAISILGWSAIYISNYYLEVTEASITKDINVKIKQGYFREQYLFS----EMVKDYSSIISVLSNDLRLIEENYFRQIFEIISSILLFIVSLSFMLYLNFLVSIIFIVLSAL--PIIVPVFMKKMLSNSANEYSNSNAEYTHIIKEIFNGFKTLKSYSVTKEIISLSDKKLDKLEDSTFNLKRSEVLSKLVAVLISGFCFLVPLVVGCYFVIYHKSLSFSELIGIFLANDKVLGPIQSIAYSLNKINTTKDLRKPFLKYLSGEKNFVDAEHDNNGLYTSSIDEIHMKDVVYSITPENKLSIDFSFKSPF--RVLLTGTSGSGKTTILNLINGSLKPQKGYVNLLS-------HGKKSSDSIPTVDQTPYIFDTTIRENVTLFQNEYFSDDQIIEVLKKVNLYEELEKI-DILNYQCGENGSNLSGGQKQKIALARALIRNNKVYLFDEISANLDNDNSNSIHDILFNL-GI-SFIEVSHHYDLND-KRYTDIYKLENGTLFKIK 4MRS Chain:B ((37-575)) ---------RRVVGAILMVLLGKATTLALPFAYKKAVDAMTLGGGAQPALTVALAFVLAYALGRFSGVLFDNLRNIVFERVGQDATRHLAENVF-ARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYFLLFNIAPTVIELTAVI-VIFWLNFGLGLVTATILAVIAYVWTTRTITEWRTHLREKMNRLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADAAVKSENSLGLLNIAQALIVNLLMAGAMAWTVYGWSQGK-LTVGDLVFVNTYLTQLFRPLDMLGMVYRTIRQGLIDMAEMFRLIDTHIEVADVP--NAPALVVNRPSVTFDNVVFGYDRDREILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPWEGR-ILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAYGRD-GASRAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLS--TIADSDTILVLDQGRLAE--

General information: TITO was launched using: RESULT: Template: 4MRS.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 : 1971 -54005 -27.40 -104.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -27.40 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_4MRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MRS-query.scw PDB file : Tito_Scwrl_4MRS.pdb: