Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAGSDLDDFRGLLAKAFDERVVAWTAEAEAQERFPRQLIEHLGVCGVFDAKWA-------TDARPDVGKLVELAFALGQLASAGI--GVGVSLHD-SAIAILRRFGKSDYLRDICDQAIRGAAVLCIGASEESGGSDLQIVETEIRSRDGGFEVRGVKKFVSLSPIADHIMVVARSVDHDPTSRHGNVAVVAVPAA--QVSVQTPYRKVGAGPLDTAAVCI-DTWVPADALVARAGTGLAAISWGLAHERMSIAGQIAASCQRAIGITLARMMSRRQFGQTLFEHQALRLRMADLQARVDLLRYALHGIA---EQGRLELRTAAAVKVTAARLGEEVISECMHIFGGAGYLVDETTLGKWWRDMKLARVGGGTDEVLWELVAAGMTPDHDGYAAVVGASKA |
2JIF Chain:A ((29-403)) | --FTDEEMMIKSSVKKFAQEQIAPLVSTMDENSKMEKSVIQGLFQQGLMGIEVDPEYGGTGASFLSTVLVIEEL-------AKVDASVAVFCEIQNTLINTLIRKHGTEEQKATYLPQLTTE-KVGSFCLSEAGAGSDSFALKTRADKEGDYYVLNGSKMWISSAEHAGLFLVMANV---DPTIGYKGITSFLVDRDTPGLHIGKPENKLGLRASSTCPLTFENVKVPEANILGQIGHGYKYAIGSLNEGRIGIAAQMLGLAQGCFDYTIPYIKERIQFGKRLFDFQGLQHQVAHVATQLEAARLLTYNAARLLEAGKPFIKEASMAKYYASEIAGQTTSKCIEWMGGVGYT-KDYPVEKYFRDAKIGTIYEGASNIQLNTIAKHIDAE------------- |
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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) -236993 for 3140 contacts (-75.5/contact) +
2D Compatibility (PS) -39557 + (NN) -21596 + (LL) 2188
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -313208.0 ( -99.75 by residue)
QMean score : 0.472
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