Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLRGQDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTKYTGLNVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRGEVHLDMVEVMVLDEADRMLDMGFIPQVRQIIRQTPHKGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPENVASD---TVEQHVYAVAGSDKYKLLYNLVAQNNWERVMVFANRKDEVRRIEERLTKDGISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPEDPDDYVHRIGRTGRAGASGTSISFAGEDDAFALPPIEELLGRKITCEMPPAELLKPVPRKH |
4KBF Chain:A ((3-361)) | ----------FKDFPLKPEILEALHGRGLTTPTPIQAAALPLALEGKDLIGQARTGTGKTLAFALPIAERL---APSQERGR-KPRALVLTPTRELALQVASELTAVAPH--LKVVAVYGGTGYGKQ-KEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPS--RQTLLFSATLPSWAKRLAERYMKNPVLI-----NVIKDEPVTYEEEAVPAPVRGRLEVLSDLLYVASPDRAMVFTRTKAETEEIAQGLLRLGHPAQALHGDLSQGERERVLGAFRQGEVRVLVATDVAARGLDIPQVDLVVHYRLPDRAEAYQHRSGRTGRAGRGGRVVLLYGPRERRDVEALERAVGRRF----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KBF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237392 for 3030 contacts (-78.3/contact) +
2D Compatibility (PS) -38650 + (NN) -20556 + (LL) 2096
1D Compatibility (HY) -22400 + (ID) 7450
Total energy: -324352.0 ( -107.05 by residue)
QMean score : 0.611
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