Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRYIKFFKELNNKNVNLVGGKNASIGEMFQELVPIGIKVPDGFAITSEAYWYLLEQGGAKQKIIELLENVDATEIDVLKIRSKQIRELIFGTPFPSDLRDEIFQAYEILSQQYHMKEAD------VAVRSSATAEDLPDASFAGQQDTYLNIKGKTELIHYIKSCLASLFTDRAISYRASRGFDHLKVALSVGV-----QKMVRADKGSAGVMFSIDTETGFKDAVFITSAWGLGENVVGGTINPDEF-------------YVFKPTLEQNKRPIIKRQLGN---------KTQKMVYAPRGSEHP-----TRNIKTTKKEWQSFSL---SDEDVLI---------------------LAKYAIEIEKHYSKEAKQYRPM-DIEWAKDGESGEIFIVQAR------PETVQ--------SQKTKEENQVFEKFK----FKNPNEKKEIILQGRAIGSKI------GSGKVRIINDLEHMNSFKEGE--ILVTDNTDPDWEPCMKKASAVITNRGGRTCHAAIVAREIGVPAIVGVS-------GATDSL--YTGMEITVSCAEGEEGYVYAGIYEHE-------IERVELSNMQETQTKIYINIGNPEKAFSFSQLPNHGVGLARMEMIILNQ---IKAHPLALVDLHHKKSVKEKNEIENLMAGYANPKDFFVKKIAEGIGMISAAFYPKPV--IVRTSDFKSNEYMRMLG-------GSSYEPNEENPMLGYRGA--SRYYSESYNEAFSWECEALALVREEMGLTNM-KVMIPFLRTIEEGK----KVLEILRKNNLESGKN-GLEIYIMCELPVNVILADDFLSLFDGFSIGSNDLTQLTLGVDR-------DSELVSHVFDERNEAML------KMFKKAIEACK--RHNKYCGICGQAPSDYPEVTEFLVKEGITSISLNPDSVIPTWNAVAKLEKELKDHGLTAR |
| 2R82 Chain:A ((3-856)) | -KWVYKFEEGNASMRNLLGGKGCNLAEM----TILGMPIPQGFTVTTEACTEYYNSG-------------------------KQITQ---------EIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGAR------ASMPGMMDTILNLG----LNDVAVEGFAKKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHF--DTDLTADDLKELAEKF---KAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSW--DNPEAIVYRRMNDIPGDWGTAVNVQTMVFGNKGETSGTGVAFTRNPDTGEKGIYGRYLINAQGEDVVAGVRTPQPITQLENDMPDCYKQFMDLAMKLEKH-------FRDMQDMEFTI--EEGKLYFLQTRNGKRTAPAALQIACDLVDEGMITEEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTAD-EAKAAHEKGERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGDYISLDGSTGKIYKGDIETQEASVSGSFERIMVWADKFRTLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSD-----SVEAREEALNELIPFQKGDFKAMYKALEGRPMTVRYLDP-PLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGHRGCRLAVTYPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKGSDMQYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGD-PSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALNN-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R82.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158541 for 5434 contacts (-29.2/contact) +
2D Compatibility (PS) -75697 + (NN) -19253 + (LL) 5100
1D Compatibility (HY) -31600 + (ID) 11300
Total energy: -291291.0 ( -53.61 by residue)
QMean score : 0.326
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