Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIKLTNVVKKFGKIEAVKGINLEVEKGSLFAFLGENGAGKSTTLSMICTESEPTSGEIYIDDEKLTFKNRKLFRQKLGVVFQENVLDDLLTVRENLYNRASLYGKTKAEITERLALVSSIMGIEDILNRRFEKLSGGQKRRAEIARAIMHDPEILLLDEPTTGLDPKTRVSVWKIIDYLREELGMTVFLTTHYLEEAK-DADQLAVIHKGKIIAQGTPTNIRSRFSVDKIFFYDAKVAELQKIMKKANLPFKVSKATMRVDVITQDVEILAILNQAAGLYGSFEVIKGNLDDAFISMIKEESDD |
2IT1 Chain:A ((3-224)) | EIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTE--LPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYK-------------------------------------------------------------------------------- |
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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) -109922 for 1785 contacts (-61.6/contact) +
2D Compatibility (PS) -23938 + (NN) -5637 + (LL) 6784
1D Compatibility (HY) -16800 + (ID) 4450
Total energy: -153963.0 ( -86.25 by residue)
QMean score : 0.462
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