Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGELANYKRLEKVGEGTYGVVYKALDLRPGQGQRVVALKKIRLESEDEGVPSTAIREISLLKELKDDNIVRLYDIVHSDAHKLYLVFEFLDLDLKRYMEGIPKDQPLGADIVKKFMMQLCKGIAYCHSHRILHRDLKPQNLLINKDGNLKLGDFGLARAFGVPLRAYTHEIVTLWYRAPEVLLGGKQYSTGVDTWSIGCIFAEMCNRKPIFSGDSEIDQIFKIFRVLGTPNEAIWPDIVYLPDFKP-SFPQWRRKDLSQVVPSLDPRGIDLLDKLLAYDPINRISARRAAIHPYFQES |
3NIZ Chain:A ((18-306)) | --GLMEKYQKLEKVGEGTYGVVYKAKDS----QGRIVALKRIR------GIPSTAIREISLLKELHHPNIVSLIDVIHSE-RCLTLVFEFMEKDLKKVLDEN--KTGLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSDGALKLADFGLARAFGIPVR---HEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQELPLWKQRTFQVFEKKPWSSIIPGFCQEGIDLLSNMLCFDPNKRISARDAMNHPYFKD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NIZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175289 for 2190 contacts (-80.0/contact) +
2D Compatibility (PS) -29136 + (NN) -7852 + (LL) 800
1D Compatibility (HY) -33600 + (ID) 8300
Total energy: -253377.0 ( -115.70 by residue)
QMean score : 0.521
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