Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTTTTTISGGILPKEYQDLRDTVADFARTVVAPVSAKHDAEHSFPYEIVAKMGEMGLFGLPFPEEYGGMGGDYFALSLVLEELGKVDQSVAITLEAAVGLGAMPIYRFGTEEQKQKWLPDLTSGRALAGFGLTEPGAGSDAGSTRTTARLEGDEWIINGSKQFITNSGTDITSLVTVTAVTGTTGTAADAKKEISTIIVPSGTPGFTVEPVYNKVGWNASDTHPLTFADARVPRENLLGARGSGYANFLSILDEGRIAIAALATGAAQGCVDESVKYANQRQSFGQPIGAYQAIGFKIARMEARAHVARTAYYDAAAKMLAGKPFKKEAAIAKMISSEAAMDNSRDATQIHGGYGFMNEYPVARHYRDSKVLEIGEGTTEVQLMLIARSLGLQ |
2JIF Chain:A ((24-402)) | -------APLQTFTDEEMMIKSSVKKFAQEQIAPLVSTMDENSKMEKSVIQGLFQQGLMGIEVDPEYGGTGASFLSTVLVIEELAKVDASVAVFCEIQNTLINTLIRKHGTEEQKATYLPQLTTE-KVGSFCLSEAGAGSDSFALKTRADKEGDYYVLNGSKMWISSAEH--AGLFLVMANVDP----TIGYKGITSFLVDRDTPGLHIGKPENKLGLRASSTCPLTFENVKVPEANILGQIGHGYKYAIGSLNEGRIGIAAQMLGLAQGCFDYTIPYIKERIQFGKRLFDFQGLQHQVAHVATQLEAARLLTYNAARLLEAGKPFIKEASMAKYYASEIAGQTTSKCIEWMGGVGYTKDYPVEKYFRDAKIGTIYEGASNIQLNTIAKHIDA- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2JIF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -133712 for 3418 contacts (-39.1/contact) +
2D Compatibility (PS) -42076 + (NN) -23944 + (LL) 944
1D Compatibility (HY) -23200 + (ID) 6900
Total energy: -228888.0 ( -66.97 by residue)
QMean score : 0.486
|
|
|