Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | REEQVTSEQAKFWLGLGGGRVSPPGPECIEKPATERRIDKGEEMGETTVQRDAKMAPEKMATPKTVGTSCYQCGTATGCNCVTASAPPPPYVGSGLYPSLAGAGEQGQGGDTPRGAEQPRAEPGHAGQAPGPALTDWARIREELASTGPPVVAMPVVIKTEGPAWTPLEPEDTRWLDGKHKRKSSQCLVKSSMSGYIPSCLDKDEQCVVCGDKATGYHYRCITCEGCKSFFRRTIQKNLHPTYSCTYDGCCVIDKITRNQCQLCRFKKCISVGMAMDLVLDDSKRVAKRKLIEENRERRRKEEMIKSLQHRPSPSAEEWELIHVVTEAHRSTNAQGSHWKQRRKFLLEDIGQSPMASMLDGDKVDLEAFSEFTKIITPAITRVVDFAKNLPMFSELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLSGEMAVKREQLKNGGLGVVSDAIFDLGKSLSAFNLDDTEVALLQAVLLMSSDRTGLICVDKIEKCQESYLLAFEHYINYRKHNIPHFWSKLLMKVADLRMIGAYHASRFLHMKVECPTELSPQEV |
1NQ0 Chain:A ((4-254)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EELQKSIGHKPEPTDEEWELIKTVTEAHVATNTQGSHWKQKRKFLPEDIGQ----------KVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFP--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NQ0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146445 for 1898 contacts (-77.2/contact) +
2D Compatibility (PS) -26105 + (NN) -17879 + (LL) 14800
1D Compatibility (HY) -33200 + (ID) 10200
Total energy: -219029.0 ( -115.40 by residue)
QMean score : 0.510
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