Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKQYLDLEKYVLENGTQKGDRTGTGTISTFGYQMRFDLQEGFPIMTTKRVPFKLVVSELLWFLHGDTNIRYLLQHNNNIWNEWAFERFVKSDDYKGEDMTDFGLRAERDPAFKEVYQAEMEKFKTRIIEDEAFATKYGELGNIYGKQWREWKTSQ--------GETIDQLADLIEMIKTNPNSRRLIVSAWNPEDIPNMALPPCHSLFQFYVADGKLSCQLYQRSADIFLGVPFNIASYALLTHLIAREVGLDVGEFIHTMGDAHLYNNHIEQVKEQLSRTPHALPKLVLSDKPATIFDFEVADISLDGYNPDPSIKAPISV |
3NRR Chain:A ((232-515)) | EFQYLDILADVLSHGVLKPNRTGTDAYSKFGYQMRFDLSRSFPLLTTKKVALRSIIEELLWFIKGSTNGNDLLAKNVRIWELNGRRDFLDKNG--------------------------------------FTDREEHDLGPIYGFQWRHFGAEYLDMHADYTGKGIDQLAEIINRIKTNPNDRRLIVCSWNVSDLKKMALPPCHCFFQFYVSDNKLSCMMHQRSCDLGLGVPFNIASYSILTAMVAQVCGLGLGEFVHNLADAHIYVDHVDAVTTQIARIPHPFPRLRLNPDIRNIEDFTIDDIVVEDYVSHPPIPMAMSA |
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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) -180873 for 2241 contacts (-80.7/contact) +
2D Compatibility (PS) -29867 + (NN) -17818 + (LL) 2924
1D Compatibility (HY) -28800 + (ID) 6650
Total energy: -261084.0 ( -116.50 by residue)
QMean score : 0.534
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