Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLELQEHCSLKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLVIGGGSNLLLT-RDVEALVLRMASQGRRIVSDAADSVLVEAEAGEAWDPFVQWSLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDRQDGTLREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQRLEEEGIASPTARDVSRVICAIRREKLPDPAVLGNAGSFFKNPLVDATQAERLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALVLVNHGGATGAQVRALAERIQEDVRRRFGVELEPEPNLY |
3TX1 Chain:A ((35-318)) | --IAIKLNEPLSKYTYTKTGGAADVFVMPKTIEEAQEVVAYCHQNKIPLTILGNGSNLIIKDGGIRGVILHLDL-LQTIE---RNNTQIVAMSGAKLIDTAKFALNESLSGLEFACGIPGSIGGALHMNAGAYGGEISDVLEAATVLTQT-GELKKLKRSELK--YR-STIAE--KNYIVLDATFSLALE-------------------EKNLIQAKMDELTAAREAKQPL--EYPSCGSVFKRPP--------------------------GHFAGKLIQDSGLQGHIIGGAQVSLKHAGFIVNIGGATATDYMNLIAYVQQTVREKFDVELETEVKII |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TX1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182987 for 2382 contacts (-76.8/contact) +
2D Compatibility (PS) -29834 + (NN) -9452 + (LL) 3128
1D Compatibility (HY) -13600 + (ID) 3900
Total energy: -236645.0 ( -99.35 by residue)
QMean score : 0.490
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