Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEQPPASKSKLKKLSEDSLTKQPEEVFDVLEKLGEGSYGSVFKAIHKESGQVVAIKQVPVESD--LQEIIKEISIMQQCDSPYVVKYYGSYFKNTDLWIVMEYCGAGSVSDIIRLRNKTLTEDEIATILKSTLKGLEYLHFMRKIHRDIKAGNILLNTEGHAKLADFGVAGQLTDTMAKRNTVIGTPFWMAPEVI-QEIGYNCVADIWSLGITSIEMAEGKPPYADIHPMRAIFMIPTNPPPTFRKPELWSDDFTDFVKKCLVKSPEQRATATQLLQHPFIKNAKPVSILRDLIAEAMEIKAKRHEEQQRELEEEEENSDEDELDSHTMVKTSSESVGTMRATSTMSEGAQTMIEHNSTMLESDLGTMVINSEEEEEEEEEEEEDGTMKRNATSPQVQRPSFMDYFDKQDFKNKSHENCDQSMREPGPMSNSVFPDNWRVPQDGDFDFLKNLSLEELQMRLKALDPMMEREIEELHQRYSAKRQPILDAMDAKKRRQQNF |
| 4AOT Chain:A ((17-295)) | ----------------------PNEVWEIVGELGDGAFGKVYKAKNKETGALAAAKVIETKSEEELEDYIVEIEILATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDAIMLELDRGLTEPQIQVVCRQMLEALNFLHSKRIIHRDLKAGNVLMTLEGDIRLADFGVSA-------------GTPYWMAPEVVM----YDYKADIWSLGITLIEMAQIEPPHHELNPMRVLLKIAKSDPPTLLTPSKWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4AOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -151632 for 2068 contacts (-73.3/contact) +
2D Compatibility (PS) -27088 + (NN) -15846 + (LL) 15908
1D Compatibility (HY) -26400 + (ID) 6000
Total energy: -211058.0 ( -102.06 by residue)
QMean score : 0.260
|
|
|