Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVPARPTPLFADIADVSRRLAETGYLPDTATATAVFLADRLGKPLLVEGPAGVGKTELARAVAQATGSGLVRLQCYEGVDEARALYEWNHAKQILRIQAGSGDWEATKTDVFSEEFLLQRPLLTAIRRTEPTVLLIDETDKADIEIEGLLLEVLSDFAVTVP--ELGTLTATRAPFVLLTSNATRELSEALKRRCLYLHIDFPTPELERRILLSRVPELPEHFAEELVRIIGVLRGMQLKKVPSIAETIDWGRTVLALGLDTIDDAVVAATLGVVLKHQSDQQRATGELRLN--- |
5C3C Chain:B ((26-281)) | ---------------------KEPYYRAVQDEIELYRAGYEARIPMMLKGPTGCGKSRFVEHMAWKLNRPLITIACNEDM---------------------------------TASDLVDGPLTVAARIG--AICYLDEIVEARQDTI-VVIHPLTDHRRVLPLEKKGELVEAHPDFQIVISY--NDLKQSTKQRFGALDFDYPKPDIEAEIVSHEA-GVDKDTAEKLVQIAQKARNLKGHGLDEGLSTRLLVYAGKLIAKGVDARAACTMTL-VNPITDDVDMRDALDTVVKTFF |
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General information:
TITO was launched using:
| RESULT:
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Template: 5C3C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142705 for 1789 contacts (-79.8/contact) +
2D Compatibility (PS) -24200 + (NN) -6170 + (LL) 3748
1D Compatibility (HY) -5600 + (ID) 2400
Total energy: -177327.0 ( -99.12 by residue)
QMean score : 0.427
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