Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEQPPAPKSKLKKLSEDSLTKQPEEVFDVLEKLGEGSYGSVFKAIHKESGQVVAIKQVPVESDLQE---IIKEISI-MQQCDSPYVVKYYGSYFKNTDLWIVMEYCGAGSVSDIIRL---RNKTLIEDEIATILKSTLKGLEYLHF-MRKIHRDIKAGNILLNTEGHAKLADFGVAGQLTDTMAKRNTVIGTPFWMAPEVI----QEIGYNCVADIWSLGITSIEMAEGKPPYADIH-PMRAIFMIPTNPPPTFRKPELWSDDFTDFVKKCLVKNPEQRATATQLLQHPFIKNAKPVSILRDLITEAMEIKAKRHEEQQRELEEEEENSDEDELDSHTMVKTSVESVGTMRATSTMSEGAQTMIEHNSTMLESDLGTMVINSEDEEEEDGTMKRNATSPQVQRPSFMDYFDKQDFKNKSHENCNQNMHEPFPMSKNVFPDNWKVPQDGDFDFLKNLSLEELQMRLKALDPMMEREIEELRQRYTAKRQPILDAMDAKKRRQQNF |
3FME Chain:A ((15-270)) | --------------------------------LGRGAYGVVEKMRHVPSGQIMAVKRIR---NSQEQKRLLMDLDISMRTVDCPFTVTFYGALFREGDVWICMELMDT-SLDKFYKQVIDKGQTIPEDILGKIAVSIVKALEHLHSKLSVIHRDVKPSNVLINALGQVKMCDF----------------AGCKPYMAPERINPELNQ--YSVKSDIWSLGITMIELAILRFPYDSWGTPFQQLKQVVEEPSPQL-PADKFSAEFVDFTSQCLKKNSKERPTYPELMQHPFF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3FME.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140677 for 1626 contacts (-86.5/contact) +
2D Compatibility (PS) -24102 + (NN) -15707 + (LL) 17508
1D Compatibility (HY) -20400 + (ID) 4450
Total energy: -187828.0 ( -115.52 by residue)
QMean score : 0.462
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