Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKSERLNDMMLFLNDKNVFQLSDIMTKYDISRSTAIRDVKSLEEIGMPIYSER----GRNGHYQVLRNRLLSPIVFNIDEVFALYFSMLTLKAYETTPFHLSVEKLKTKFERCLSAEKIEMLRKTEEVFSLGYIKHNNQCEFLDVILQFTMEEKVCQINYDKKGIEKTYVVQFYNISSAYGQWYVTSYNFETKRMQVFRCDRILELEENHAFEAKKLTDLKSETDYLYKKKDAINFEVEIASNGVDLFFKENYPSMKLNQEQGRNVIRGFYNRGEEPFIINYLLGFGDKINMVQPDSLKEMLLNELKSLQNHLQKLS |
3KE2 Chain:A ((17-94)) | -KAFLRKLYLAHLMD-DARHNLLSLGKLTGMPRRTLQDAIASFADIGIEVEFVQDGERHNAGYYRIRTWGPISSAWMDTH---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -37650 for 469 contacts (-80.3/contact) +
2D Compatibility (PS) -7772 + (NN) -427 + (LL) 19048
1D Compatibility (HY) -1200 + (ID) 550
Total energy: -28551.0 ( -60.88 by residue)
QMean score : 0.453
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