Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNNDPTVNLPISIRKLSSNKFIEEICQDQFEDQDNALFEDSFINKIKEGDVVEGIITRVNPNDIVVHIGLKSDGRIPIKELGCNDKIVVGSKIRVYVERIEDYHGNVVLSREKAIRDEKWNKLEEDAVTKAEVSGVIKRSIKCGFIVDLGDGISAFLPLSHVDLKQVKDARHLIETEQKFIVLKMDKKQGNIVVSRKLVLEKLHAGEKTKFLEFLNEGDIIEGKIKSITHYGVFVGIHESDAVGVIDGLLHITDISWSRVSHPSAAFACGQIIKVKIIKIDKENAKVSLGIKQLEDNPWQDVESKYQVDSIHKGHITSIEDYGLFVELKPGIEGLVHSSEIT--WVKSNLPVNSLVTRGQEVSVKILNVDITKNRMSLSMKRCVDNPWQVFVNKYPPGSIVSGKVKNNTISYMSITFNDDEIDENVEGTIYAQDLSWSKNGSDEIKKYNVGDTIEAKVIRANVNRTRIYLGIKQIEYDPLIELIKKVKVGDKMQVTVGKREDSGLVVEVENDVALLIDQEHLPESKKFSISDKIEVEVLGVEEYNVILSAK |
2K4K Chain:A ((3-83)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AKFEVGSVYTGKVTGLQAYGAFVALDEETQGLVHISEVTHGFVKD---INEHLSVGDEVQVKVLAVDEEKGKISLSIRATQAAPEKKESKPRKPKAAQVSEEASTPQGFNTLKDKLEEWIEMSNRKDLIKK--------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2K4K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -54237 for 566 contacts (-95.8/contact) +
2D Compatibility (PS) -8328 + (NN) -923 + (LL) 27956
1D Compatibility (HY) -7200 + (ID) 1650
Total energy: -44382.0 ( -78.41 by residue)
QMean score : 0.589
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