Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSILTDFEPKFLSSDDLLNLYAEYCNGHYCDFKYKQRRLSDGNIQSHLYFKKDHFIHDYNGIETFKRFIAVKAYDVDNITSLALSNLLCEKFNLDILLTIEAMDKERALFFIRERKKRSKDISYQNIEYLEQMVSTDRAQIQKVSLSIMVFANSKKELDKKSIIVYNTLKKEGFSAVLESINMRPIFFSFFPERNFLNSRLRPQTSQNIASLIMFEKYQEGFKEN-----SWGDCPVSVFKN----QNGS---------AHFFNFQAKQGKDKNDNV----VGHTMIIGSTGSGKSTFISFLIANLLTKYDMSVVALDRMNGLEIMTDFFEGQYNTANTDGGFYINPFSLKDSEENRQFLANWIKFMLNIDSDNQQDNKASQSIDKVIRDTYNYMGDQKNQINLLEIAKNLGSSEQDFNEILKSQGEKIYFKNFQDCLDFSNSPLSVINMDAFANDKKLMGLIAMYLFHKLFFEAKEHNKPFFYSLMKLKTTLCIL |
2EWV Chain:A ((54-157)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLTPEDTQKLAYSVMSEKHRQKLEENGQVDFSFGVRGVGRFRANVFYQRGSVAAALRSLPAEIPEFKKLGLPDKVLELCHRKMGLILVTGPTGSGKSTTIASMIDYINQTKSYHIITIEDPIEYVFKHKKSIVNQREVGEDTKSFADALRAALREDPDVIFVGEMRDLETVETALRAAETGHLVFGTLHTNTAIDTIHRIVDIFPLNQQEQVRIVLSFILQGIISQRLLPKIGGGRVLAYELLIPNTAIRNLIRENKLQQVYSLMQMQTMNQTLYKLYKQGLITLEDAMEASPDPKE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2EWV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2662 for 357 contacts (-7.5/contact) +
2D Compatibility (PS) -8520 + (NN) -10 + (LL) 15208
1D Compatibility (HY) -3200 + (ID) 1600
Total energy: -784.0 ( -2.20 by residue)
QMean score : 0.207
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