Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------MKKILVIGDLIADYYLWGKSERLSPEAPVPVLEVKKESKNLGGAANVANNLTSLKAKVFLCGVVGDDLEGKHFISTLKTRGIDTSGVLIDKTRCTTLKTRIIAQNQQIVRVDKEIKDPLNADLRKNLLDFIAEKIQEIDGVILSDYNKGVLDFELTQTIITLANKHHKLILCDPKGKDYSKYSHASLITPNRAELEQALHLKLDSHANLSKALQILQETYHIAMPLVTLSEQGIAFLEKGELVNCPTIAKEVYDVTGAGDTVIASLTLSLLESKSLKEACEFANAAAAVVVGKMGSALASLEEIALILNQTHPKILPLEKLLETLERNQQKIVFTNGCFDILHKGHASYLQKAKALGDILVVGLNSDNSIKRLKGDKRPIVSEKDRAFLLASLSCVDYVVVFGEDTPIKLIQALKPDILVKGADYLNKEVIGSELAKETRLIEFEEGYSTSAIIEKIKRTHND |
4E8Y Chain:A ((43-350)) | VVPVPREQLARSRVLVVGDVMLDRYWFGNVDRISPEAPVPVVHVQRQEERLGGAANVARNAVTLGGQAGLLCVVGCDEPGERIVELLGSSGV-TPHLERDPALPTTIKLRVLARQQQLLRVDFE--AMPTHEVLLAGLARFDVLLPQHDVVLMSDYAKGGLTH--VTTMIEKARAAGKAVLVDPKGDDWARYRGASLITPNRAELREVVG-QWKSEDDLRARVANLRAELDIDALLLTRSEEGMTLFSAGGELHAPALAREVFDVSGAGDTVIATVATMLGAGVPLVDAVVLANRAAGIVVGKLGTATVDYDEL--------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4E8Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186110 for 2599 contacts (-71.6/contact) +
2D Compatibility (PS) -31850 + (NN) -9190 + (LL) 12336
1D Compatibility (HY) -22400 + (ID) 5850
Total energy: -243064.0 ( -93.52 by residue)
QMean score : 0.507
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