Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNNDPTVNLPISIRKLSSNKFIEEICQDQFEDQDNALFEDSFINKIKEGDVVEGIITRVNPNDIVVHIGLKSDGRIPIKELGCNDKIVVGSKIRVYVERIEDYHGNVVLSREKAIRDEKWNKLEEDAVTKAEVSGVIKRSIKCGFIVDLGDGISAFLPLSHVDLKQVKDARHLIETEQKFIVLKMDKKQGNIVVSRKLVLEKLHAGEKTKFLEFLNEGDIIEGKIKSITHYGVFVGIHESDAVGVIDGLLHITDISWSRVSHPSAAFACGQIIKVKIIKIDKENAKVSLGIKQLEDNPWQDVESKYQVDSIHKGH---ITSIEDYGLFVELKPGIEGLVHSSEITWVKSNLPVNSLVTRGQEVSVKILNVDITKNRMSLSMKRCVDNPWQVFVNKYPPGSIVSGKVKNNTISYMSITFNDDEIDENVEGTIYAQDLSWSKNGSDEIKKYNVGDTIEAKVIRANVNRTRIYLGIKQIEYDPLIELIKKVKVGDKMQVTVGKREDSGLVVEVENDVALLIDQEHLPESKKFSISDKIEVEVLGVEEYNVILSAK |
2K4K Chain:A ((3-126)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AKFEVGSVYTGKVTGLQAYGAFVALD-----EETQGLVHISEVTHGFVKDINEHLSVGDEVQVKVLAVDEEKGKISLSIRATQAAPEKKESK-PR---KPKAAQVSEEASTPQGF-NTLKDKLEEWIEMSNRKDLIKK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -60420 for 732 contacts (-82.5/contact) +
2D Compatibility (PS) -12710 + (NN) 993 + (LL) 29088
1D Compatibility (HY) -4800 + (ID) 1400
Total energy: -49249.0 ( -67.28 by residue)
QMean score : 0.369
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