Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEAYRKHVEERAAQGVVPQPLNAEQTAGLVELLKNPPAGEEEFLLDLITNRVPPGVDEAAYVKAGFLSAIVKGEATSPLIDKQRAAELLGTMQGGYNIATLVELLDDAELANTAAEQLKHTLLMFDAFHDVAERAKKGNAAAKSVLQSWADGEWFKAKPEVPEKLTLTVFKVPGETNTDDLSPAPDAWSRPDIPLHALAMLKMARDGIEPVQPGSVGPLKQIEAVKAKGFPVAYVGDVVGTGSSRKSATNSVLWFFGDDIPFVPNKRAG-GFCFGTKIAPIFYNTMEDAGALPIEFDCTNLAMGDVIDVYPYEGKVVRHDSGEVVTTFELKTPVLLDEVRAGGRIPLIVGRGLTEKARAELGLGASDLFRKPEAPADSGKGFTLAQKMVGRACGLPEGQGVRPGTYCEPKMTTVGSQDTTGPMTRDELKDLACLGFSADLVMQSFCHTAAYPKPIDVKTHHTLPDFIMTRGGVSLRPGDGIIHSWLNRMLLPDTVGTGGDSHTRFPIGISFPAGSGLVAFAAATGVMPLDMPESVLVRFKGKLQPGITLRDLVHAIPYYAIQQGLLTVEKKGKKNIFSGRILEIEGLNDLTVEQAFELSDASAERSAAGCTIKLPEQAIAEYLKSNITLLRWMIGEGYGDPRTLERRAQAMEAWLAKPELLEADKDAEYAAVIEIDLADVKEPVLCAPNDPDDARLLSSVQGRKIDEVFIGSCMTNIGHFRAAGKLLDKVKGGIPTRLWLAPPTKMDAHQLTEEGYYGIYGKAGARMEMPGCSLCMGNQARVQTGSTVVSTSTRNFPNRLGDATDVFLASAELAAVSSILGKLPTVEEYMAYAKDIDSMAADVYRYLSFDQIAEFREAAANAKIPVVQA |
2PKP Chain:A ((2-163)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------IIKGRAHKFGDDVDTDAIIPGPYLRT-TDPYELASHCMAGIDENF----------PK---KV--KEGDVIVAGENFGCGSSREQAVIAI-------------KYCGIKAVIAKSFARIFYRNAINVGLIPIIANTDEIKDGDIVEIDLDKEEIVITNKNKTIK-CETPKGLEREILAAGGLVNYLKKRKLIQSKKG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PKP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95527 for 1300 contacts (-73.5/contact) +
2D Compatibility (PS) -17331 + (NN) -5682 + (LL) 44264
1D Compatibility (HY) -3600 + (ID) 1800
Total energy: -79676.0 ( -61.29 by residue)
QMean score : 0.346
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