Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VTETIIRFENVTKQFDNDPPVLDNVSFEIEKGKFYTLLGPSGCGKTTILRLIAGFLEASKGQIYLGDKVINQIPANKRPVNTVFQDYALFPHLNVYENVAFGLRIKKLKKEAIDEKVKEALRFVNLKGYEKREISEMSGGQRQRVAIARAIVNEPEVILLDEPLSALDLKLRTEMQYELRDLQKRLGITFIFVTHDQEEALAMSDEIFVLNKGEIQQSGTPIDIYDEPINKFVADFIGES--NIVNGKMIQDFEVEFVERRFECVD-----QGFRPNEVVEVVIRPEDLEITSAEKGQLQVTVDWMLFRGVHYEVGCIDIDGNEWLV--HTTRKVRVGDKIGLAFEPEAIHVMRLGETEEEFDKRLDSYDEVQ |
2IT1 Chain:A ((2-354)) | ---VEIKLENIVKKFGN-FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEPLGREQIVTVSVNDS-IVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTE--------------- |
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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) -192808 for 2746 contacts (-70.2/contact) +
2D Compatibility (PS) -37992 + (NN) -18664 + (LL) 1228
1D Compatibility (HY) -26000 + (ID) 6800
Total energy: -281036.0 ( -102.34 by residue)
QMean score : 0.514
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