Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRPQDSTGVAELQEPGLPLTDDAPPGATEEPAAAEAAGAPDRGRCWLCLSSPCCSRTEPEAKKKAPCPGLGLFYTLLSAFLFSVGSLFVKKVQDVHAVEISAFRCVFQMLVVIPCLIYRKTGFIGPKGQRIFLILRGVLGSTAMMLIYYAYQTMSLADATVITFSSPVFTSIFAWICLKEKYSPWDALFTVFTITGVILIVRPP---FLFGSDTSGMEESYSGHLKGTFAAIGSAVFAASTLVILRKMGKSVDYFLSIWYYVVLGLVESVIILSVLGEWSLPYCGLDRLFLIFIGLFGLGGQIFITKALQIEKAGPVAIMKTMDVVFAFIFQIIFFNNVPTWWTVGGALCVVASNVGAAIRKWYQSSK |
4XDL Chain:A ((178-261)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFILAGCIVFVTIPAVIFKYIEGWTALESIYFVVVTLTTVGFGDFVAGGNAGINYREWYKPL-----VWFWILVGLAYFAAVLSMIGDWLRVLSKK---------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XDL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -21220 for 467 contacts (-45.4/contact) +
2D Compatibility (PS) -7550 + (NN) 5448 + (LL) 20476
1D Compatibility (HY) -9600 + (ID) 1000
Total energy: -13446.0 ( -28.79 by residue)
QMean score : -0.075
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