Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKQYLDLMRHVREHGTFKSDRTGTGTYSVFGHQMRFDLAAGFPLVTTKKCHLKSIVHELLWFLKGSTNIAYLKEHGVSIWDEWAD------------ENGDLGPVYGYQWRSWPAPD--------GRHIDQIANLMAMLKKNPDSRRLIVSAWNPALIDEMALPPCHALFQFYVADGKLSCQLYQRSADIFLGVPFNIASYALLTLMVAQVAGLQPGEFIWTGGDCHLYANHLEQADLQLTREPLPLPSMKLNPEVKDLFDFRFEDFELVGYEAHPHIKAPVAV |
3NRR Chain:A ((232-515)) | EFQYLDILADVLSHGVLKPNRTGTDAYSKFGYQMRFDLSRSFPLLTTKKVALRSIIEELLWFIKGSTNGNDLLAKNVRIWELNGRRDFLDKNGFTDREEHDLGPIYGFQWRHFGAEYLDMHADYTGKGIDQLAEIINRIKTNPNDRRLIVCSWNVSDLKKMALPPCHCFFQFYVSDNKLSCMMHQRSCDLGLGVPFNIASYSILTAMVAQVCGLGLGEFVHNLADAHIYVDHVDAVTTQIARIPHPFPRLRLNPDIRNIEDFTIDDIVVEDYVSHPPIPMAMSA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NRR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -219886 for 2137 contacts (-102.9/contact) +
2D Compatibility (PS) -28603 + (NN) -15629 + (LL) 0
1D Compatibility (HY) -26800 + (ID) 6700
Total energy: -297618.0 ( -139.27 by residue)
QMean score : 0.638
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