Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERIQKSYQKYHANAFQTLLHLYQGN-----YWRFAMSGL-FFIIKHLPSWLMPIAIANVINAASSKD-SSQLQ-A-IYFNAFLMACLIGQNILTNYFHVKYHSTSIRQVEAGLRATLIKKIQELSIPYQKELQSGRIQSKIIRDVEAIQTLSSQVFVSGLNIAVNLFVALGITLYKSPVVFMFFLLTVPL--AAFVTLFFRKRIRQSNSDFRQEMEETSAKVIEVIELAPIARAHGLEKHETTRLNKHFTQIYEKGFHLDILQSVFGSVSWASFQIFQLICLIFTGILALQGRIQPGDVVMYQTYFTTIVNSVSGMITLIPTISKGMESITSIGELLIAGDVETYHGKK----KIQHLDGNFRFEDVSFLYPDSLKPIIDHFSLEVKAGETIAFVGPSGSGKSTLLNLLIGFIQPTSGKIFLDDQPLDELDMRSVRNYLAVVPQTTLLFSASIKENITYGLKNVSKERLDEVIEAAQLSSLIDQLPDGLDTLVGEHGNKLSGGQKQRISIARALIRQPKIILLDEATSALDNQSEKKIQQALNYLTETPTTFIVAHRLSTIKEADKIVVIDEGKIVEIGTYEKLLAQKGYFYRLKNE 4MRS Chain:B ((14-593)) ----------HDGWQTLKRFLPYL-WPADNAVLRRRVVGAILMVLLGKATTLALPFAYKKAVDAMTLGGGAQPALTVALAFVLAYA-LGRFSGVLFDNLRNIVFERVGQDATRHLAENVFARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYFLLFNIAPTVIELTAVI-VIFWLNFGLGLVTATILAVIAYVWTTRTITEWRTHLREKMNRLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADAAVKSENSLGLLNIAQALIVNLLMAGAMAWTVYGWSQGKLTVGDLVFVNTYLTQLFRPLDMLGMVYRTIRQGLIDMAEMFRLI---DTHIEVADVPNAPALVVNRPSVTFDNVVFGYDRDRE-ILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPWEGRILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAYGRDGASRAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLSTIADSDTILVLDQGRLAEQGSHLDLLRRDGLYAEMW--

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 : 2327 -103522 -44.49 -183.22 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -44.49 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.443

(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: