Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFEWSDTDLMVRDAVRQFIDKEIRPHQDALETGELSPYPIARKLFSQFGLDVLLAESVNQMLDGERAKREKRDSSGSFGLADQASMVAVLVSELAGVSIGLLSTVAVSLGLGAATIMSRGTLAQQERWVPTLVTLEKIAAWAITEPDSGSDAFGGMKTHVTRDGEDYILNGHKTFITNGPYADVLVVYAKLADGEPASDWRNRPVLVFVLDAGMPGLTQGKPFKKMGMMSSPTGELFFDNVRLTPDRLLCAEGDGRDSARANFAVERLGVALMSLGIINECHRLCVDYAKTRTLWGRNIGQFQLIQLKLAKMEVARINVQNMVFQAIERLKAGKQLTLAEASAIKLYSSEAATDVAMEAVQLFGGNGYMAEYRVEQLARDAKSLMIYAGSNEVQVTHIAKGLLGEPASRA |
2JIF Chain:A ((28-403)) | --TFTDEEMMIKSSVKKFAQEQIAPLVSTMDENSKMEK----SVIQGLFQQGLMGIEVDPE-------------YGGTG--ASFLSTVLVIEELAKVDASVAVFCEIQNTLINTLIRKHGTEEQKATYLPQLTTE-KVGSFCLSEAGAGSDS-FALKTRADKEGDYYVLNGSKMWISSAEHAGLFLVMANVDPTIG-----YKGITSFLVDRDTPGLHIGKPENKLGLRASSTCPLTFENVKVPEANILGQIGHGYKYAIGSLNEGRIGIAAQMLGLAQGCFDYTIPYIKERIQFGKRLFDFQGLQHQVAHVATQLEAARLLTYNAARLLEAGK-PFIKEASMAKYYASEIAGQTTSKCIEWMGGVGYTKDYPVEKYFRDAKIGTIYEGASNIQLNTIAKHIDAE----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JIF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201976 for 3397 contacts (-59.5/contact) +
2D Compatibility (PS) -41115 + (NN) -22405 + (LL) 2444
1D Compatibility (HY) -17200 + (ID) 5250
Total energy: -285502.0 ( -84.05 by residue)
QMean score : 0.451
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