Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKVMLIGAGPGDAQLLTVKGLAALQKADVIVYDRLVEPAMLQERKASCKLIYVGKEPLHHPIPQDEIERILVREAATNELVVRLKAGDPYVFGRGGEEGETLHKAGIPFEVIPGITSAIGGLAYAGIPVTHRDFASSFHVITGHLKKGRDPLDWEALARLEGTLVFLMGMTNLPNICANLLEHGQKPETGVAIVQWATRGKQLTVTGNLQTIEQKVAESGISSPALIVVGDVVSLRPQLNFFEEMPLFHTKVLLPRARAGKSMLAEQIRDLGGEVTMYPNIQVLDVAPTKTKEQLSEVSELLFTSKEAVERFFDYLAKLDLDIRSLKNSHLTAIGKQTKEAFSEKGIIPDSFIKRRSTELILEHLPRLQKNVSNLIIGSVVDTTEVNVILADVKAIEMMPLYDMRPVTERPFDLESFEQVCFSSSRSVQNLLDVLTIEEKAILQTKTILSIGRFTSATLASFGMNNFIEAESATPESLIELIQKTKLEGVPQ |
1PJS Chain:A ((216-454)) | -GEVVLVGAGPGDAGLLTLKGLQQIQQADIVVYDRLVSDDIMNLVRRDADRVFV--------VPQEEINQILLREAQKGKRVVRLKGGDPFIFGRGGEELETLCHAGIPFSVVPGITAASGCSAYSGIPLTHRDYAQSVRLVT------GE-LDWENLAAEKQTLVFYMGLNQAATIQEKLIAFGMQADMPVALVENGTSVKQRVVHGVLTQLGELAQQ--VESPALIIVGRVVALRDKLNWF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1PJS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -189698 for 1911 contacts (-99.3/contact) +
2D Compatibility (PS) -24718 + (NN) -10566 + (LL) 19984
1D Compatibility (HY) -24800 + (ID) 5750
Total energy: -235548.0 ( -123.26 by residue)
QMean score : 0.585
|
|
|