Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHDLLLNLKDLACGYASQKVVQDLDLHLNAGDIGCLLGPSGCGKTTTLRAIAGFEPVLAGQIELGGEVISRPGFTLAPEKRRIGMVFQDYALFPHLSVADNVGFGIRKHP----QRERLVRELLELVKLDHLAARHPHELSGGQQQRVALARALAPEPLLLLLDEPFSNLDVELRRSLSQEVREILKARGTSAILVTHDQEEAFAVCDHIGVFKEGHLEQWDTPYNLYHEPLTPFVASFVGQG--YFIRGQLLSPDTVQTELGVIRGNRA----YSLPSGSAVDVLLRPDDLVHAPQGE--LKARIVGKTFLGAATLYRLQLPTGTQLESIFPSHADHQPGDDVGIRVAADHLVVFAARGSVAAHLAPVQA |
2IT1 Chain:A ((2-359)) | ----VEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTE----LPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEPLGREQIVTVSVND-SIVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTEKALEF----- |
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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) -220906 for 2778 contacts (-79.5/contact) +
2D Compatibility (PS) -37393 + (NN) -16296 + (LL) 308
1D Compatibility (HY) -26800 + (ID) 5550
Total energy: -306637.0 ( -110.38 by residue)
QMean score : 0.396
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