Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRNLTKKMDDNLVLKDVSFDLKAGEITALIGRNGVGKTTLFSTMTGIYLPDEGDVFLDEESIFKHPEVKQQLFFLEDNMNHFNTYSVQTVVKIYRQIYTTFDEAFFNELMQQFELPMKAKLM-----SFSKGRKALFFIILAFSLNVRFLLLDEPLDGLDIIIKKQILATIKDTVKKRGTSVVIASHRLEELEAIADRVIVLK-------GASVELDYYLEDMRTDAVKIQVAFKTKKIPGFVKNNAQLLYRNGRIYTLLVTENASSFLAELRLEEPVLLEEMSISIEDIFTVHLANDKIDYYEI |
3PUV Chain:A ((4-227)) | VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPAD----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147974 for 1602 contacts (-92.4/contact) +
2D Compatibility (PS) -22669 + (NN) -5812 + (LL) 7440
1D Compatibility (HY) -12800 + (ID) 2700
Total energy: -184515.0 ( -115.18 by residue)
QMean score : 0.556
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