Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEQADKCNSRWKDEAMQNGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLNPTYACKYEGKCVIDKVTRNQCQECRFKKCIAVGMATDLVLDDSKRLAKRKLIEENRERRRREELQKTVWDRPEPTQEEWEMIRVVTEAHMATNAQGNHWKQKRKFLSAVGVKEAKPEDIGSAPIVNAPEGNKVDIEAFSQFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESDTLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGVSLSSFNLDDSEVALLQAVILLSSDRPGLTSVERIERCQEEFLLAFEHYINYRKHKVAHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED |
1NQ2 Chain:A ((5-263)) | ------------------------------------------------------------------------------------------------------------------------------EELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFL---------PEDIGQA--------GKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRTAVRYEPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NQ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168345 for 2001 contacts (-84.1/contact) +
2D Compatibility (PS) -27133 + (NN) -18156 + (LL) 9028
1D Compatibility (HY) -37200 + (ID) 11050
Total energy: -252856.0 ( -126.36 by residue)
QMean score : 0.543
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