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 4MRP Chain:A ((14-593)) ----------HDGWQTLKRFLPYL-WPADNAVLRRRVVGAILMVLLGKATTLALPFAYKKAVDAMTLGGGAQPALTVALAFVLAYA-LGRFSGVLFDNLRNIVFERVGQDATRHLAENVFARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYFLLFNIAPTVIELTAVI-VIFWLNFGLGLVTATILAVIAYVWTTRTITEWRTHLREKMNRLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADAAVKSENSLGLLNIAQALIVNLLMAGAMAWTVYGWSQGKLTVGDLVFVNTYLTQLFRPLDMLGMVYRTIRQGLIDMAEMFRLI---DTHIEVADVPNAPALVVNRPSVTFDNVVFGYDRDRE-ILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPWEGRILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAYGRDGASRAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLSTIADSDTILVLDQGRLAEQGSHLDLLRRDGLYAEMW--

General information: TITO was launched using: RESULT: Template: 4MRP.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 : 2341 -105978 -45.27 -187.57 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -45.27 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4MRP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MRP-query.scw PDB file : Tito_Scwrl_4MRP.pdb: