Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMNEIIAVANQKGGVGKTTTAVNLAASLAAHEKKILLIDFD-PQANATSSLGFRRDKIDYDIYHVLIGRKQISQVILKTQMPFLDLVPSNLGLAGFEKTFYDSQDENKRGELMLKNALGSVVKLYDYIIIDSPPALGPLTINSLSAAHSVIIPIQCEFFALEGTKLLLNTIRMLQKSTNPKLKIRGFLPTMHVPQLNLTKGVLAELFKYFDSEFFRD---SATGEYIMIPKSVKLAESPSF------GKPILLYDIKSNGSIAYQKLAQSILQG |
1ION Chain:A ((2-233)) | --TRIISIVSGKGGTGKTTVTANLSVALGEMGRKVLAVDGDLTMANLSLVLGV--DDVNITLHDVLAGDAKLEDAIYMTQFENVYILP---GAVDWEHVI--KADPRK-----LPEVIKSLKGKYDFILIDCPAGLQLRAMSAMLSGEEAILVTNPEISCLTDTM---KVGMVLKKAG---LAILGFI-----------------LNRYGRSE--RDIPPEAAQDVMDVPLLAVIPEDPVIREGTLEGIPAVKYKPESKGAQAFIKLAEEVDKL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ION.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149523 for 2009 contacts (-74.4/contact) +
2D Compatibility (PS) -23568 + (NN) -8893 + (LL) 2920
1D Compatibility (HY) -12800 + (ID) 3500
Total energy: -195364.0 ( -97.24 by residue)
QMean score : 0.430
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