Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKIRNLTKKMDDNLVLKDVSFDLKAGEITALIGRNGVGKTTLFSTMTGIYLPDEGDVFLDEESIFKHPEVKQQLFFLEDNMNHFNTYSVQTVVKIYRQIYTTFDEAFFNELMQQFELPMKAKLM-----SFSKGRKALFFIILAFSLNVRFLLLDEPLDGLDIIIKKQILATIKDTVKKRGTSVVIASHRLEELEAIADRVIVLK-------GASVELDYYLEDMRTDAVKIQVAFKTKKIPGFVKNNAQLLYRNGRIYTLLVTENASSFLAELRLEEPVLLEEMSISIEDIFTVHLANDKIDYYEI |
| 3PUY Chain:A ((4-227)) | VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPAD----------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146711 for 1601 contacts (-91.6/contact) +
2D Compatibility (PS) -22531 + (NN) -4802 + (LL) 7440
1D Compatibility (HY) -12800 + (ID) 2700
Total energy: -182104.0 ( -113.74 by residue)
QMean score : 0.544
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