Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHDLLLNLKDLACGYASQKVVQDLDLHLNAGDIGCLLGPSGCGKTTTLRAIAGFEPVLAGQIELGGEVISRPGFTLAPEKRRIGMVFQDYALFPHLSVADNVGFGIR----KHPQRERLVRELLELVKLDHLAARHPHELSGGQQQRVALARALAPEPLLLLLDEPFSNLDVELRRSLSQEVREILKARGTSAILVTHDQEEAFAVCDHIGVFKEGHLEQWDTPYNLYHEPLTPFVASFVGQGYF----IRGQLLSPDTVQTELGVIRGNRAY------SLPSGSAVDVLLRPDDLVHAPQGE--LKARIVGKTFLGAATLYRLQLPTGTQLESIFPSHADHQPGDDVGIRVAADHLVVFAARGSVAAHLAPVQA |
3PUZ Chain:B ((4-325)) | ------VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMN----DTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQVQVELPMPNRQQVWLPVESRDVQVGANMSLGIRPEHLLPSDIADVILEGEVQVVEQLGNETQIHIQIPSIRQ-------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177938 for 2217 contacts (-80.3/contact) +
2D Compatibility (PS) -32643 + (NN) -11069 + (LL) 3464
1D Compatibility (HY) -26800 + (ID) 5700
Total energy: -250686.0 ( -113.07 by residue)
QMean score : 0.405
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