Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKIRNLTKKMDDNLVLKDVSFDLKAGEITALIGRNGVGKTTLFSTMTGIYLPDEGDVFLDEESIFKHPEVKQQLFFLEDNMNHFNTYSVQTVVKIYRQIYTTF---DEAFFNELMQQFELPMK--AKLMSFSKGRKALFFIILAFSLNVRFLLLDEPLDGLDIIIKKQILATIKDTVKKRGTSVVIASHRLEELEAIADRVIVLKGASVELDYYLEDMRTDAVKIQVAFKTKKIPGFVKNNAQLLYRNGRIYTLLVTENASSFLAELRLEEPVLLEEMSISIEDIFTVHLANDKIDYYEI |
| 2IT1 Chain:A ((4-224)) | IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYK------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158786 for 1738 contacts (-91.4/contact) +
2D Compatibility (PS) -23115 + (NN) -5271 + (LL) 7156
1D Compatibility (HY) -10000 + (ID) 2650
Total energy: -192666.0 ( -110.86 by residue)
QMean score : 0.530
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