Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSGSLQFTVLRAVNPATDAQRESMLREPGFGKYHTDHMVSIDYAEGRGWHNARVIPYGPIELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFIESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPAGAYFKGG-IAPVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEEMGGMNIF-FVLGSGGSARLVTPELSGSLLPGITRDSLLQLAIDAG-FAVEERRIDIDEWQKKAAAGEITEVFACGTAAVITPVARVRHGASEFRIADGQPG-EVTMALRDTLTGIQRGTFADTHGWMARLG |
5BWU Chain:B ((34-366)) | ------------------------------FGKTFTDHMLMVEWND-KGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAG-TSLYVRPVLIGNEPSLGVSQPTRALLFVILCPVGAYF---SVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQ-LTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKEIQYGIRA--HEWM---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5BWU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -204437 for 2603 contacts (-78.5/contact) +
2D Compatibility (PS) -35919 + (NN) -16524 + (LL) 1900
1D Compatibility (HY) -32400 + (ID) 6500
Total energy: -293880.0 ( -112.90 by residue)
QMean score : 0.442
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