Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDVTHLPPRARDVAMVFQNYALYPNMTVAANMGFALRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVR-APDLAIPVP-------D-PAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
| 2IT1 Chain:A ((1-357)) | MVEIKLENIVKKFGN--FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGE-GEGIVGEVYSFEPLGREQIVTVSVNDS--------IVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTEKAL- |
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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) -225493 for 2832 contacts (-79.6/contact) +
2D Compatibility (PS) -38182 + (NN) -20210 + (LL) 352
1D Compatibility (HY) -31200 + (ID) 7000
Total energy: -321733.0 ( -113.61 by residue)
QMean score : 0.465
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