Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLSLEPRGRQSRWMLLASPLLAGLLTLVCGALLFACLGHDPWQTLHTVLVQPLSDLYGLGELLVKAMPILLCALGLALAYQARVWNIGAEGQLLVGALAGSAVAIQLLDWQSRWALAWVLLAGTAAGALWAGFAAWLRTRFNANEILTTIMLNYIALNLLLYGVHGPLKDPDGFNFPQSALFGEASRLPALFEDSRVHLGALFGLLALAAVWVLAQRSFLGFQVRVLGLDRRAAGFVGFREKRLVWFVLLFSGALAGLAGVCEVAGPIGQLVPQVSPGYGYAAITVAFLGRLNPFGILCASLLMALLYLGGEAAQMSLNLPLALSGLFQGMMLFFLLACDVLILYRPRLHGRWRKRPALRDALA |
2K1K Chain:A ((547-562)) | -------------------EIVAVIFGLLLGAALL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2K1K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -8488 for 61 contacts (-139.1/contact) +
2D Compatibility (PS) -1704 + (NN) -1537 + (LL) 28736
1D Compatibility (HY) -3200 + (ID) 250
Total energy: 13557.0 ( 222.25 by residue)
QMean score : -0.191
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