Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYQVAICDPIHAKG-----IQILEAQKDIVL---HDYSKCPKKELLEKLIPMDALITRSM--TPITSDFLKPLTH-LKSIVRAGVGVDNIDLESCSQKGIVVMNIPTANTIAAVELTMAHLINAVRSFPCANDQIK--HQRLWKREDW-YGTELKNKKLGIIGFGNIGSRVGIRAKAFEMEVLAYDPYI-PSSKATDLGVIYTKNFEDILQ-CDMITIHTPKNKETINMIGAKEIERMKKGVILINCARGGLYNEDALYEALETKKVRWLGIDVFSKEP-GIHNKLLDLPNVYATPHIGANTLESQEEISKQAAQGVMESLRGSSHPHALNLPMQAFDASAKAYLNLAQKLGYFSSQIHKGVCQKIELSLCGEINQFKDALVAFTLVGVLKPVVGDKINYINAPFVAKERGIEIKVSLKESASPYKNMLSLTLNAANGAISVSGTVFEEDILKLTEIDGFHIDIEPKGKMLLFRNTDIPGVIGSVGNAFARHGINIADFRLGRNTQKEALALIIVDEEVSLEVLEELKNIPACLSVHYVVI |
1GDH Chain:A ((1-320)) | KKKILITWP-----LPEAAMARARESYDVIAHGD--DPKITIDEMIETAKSVDALLIT--LNEKCRKEVIDRIPENIKCISTYSIGFDHIDLDACKARGIKVGNAPHGVTVATAEIAMLLLLGSARRAGEGEKMIRTRSWPGWEPLELV-GEKLDNKTLGIYGFGSIGQALAKRAQGFDMDIDYFDTHRASSSDEASYQATFHDSLDSLLSVSQFFSLNAPSTPETRYFFNKATIKSLPQGAIVVNTARGDLVDNELVVAALEAGRLAYAGFDVFAGEPN-INEGYYDLPNTFLFPHIGSAATQAREDMAHQANDLIDALFGGADMS--Y-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ALA--------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GDH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -227031 for 2428 contacts (-93.5/contact) +
2D Compatibility (PS) -33261 + (NN) -12761 + (LL) 15668
1D Compatibility (HY) -18000 + (ID) 4150
Total energy: -279535.0 ( -115.13 by residue)
QMean score : 0.599
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