Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VKITINQASEFVGKEVTIGAWLANKRSSGKIAFLQLRDGTGFMQGVVVKAEVGDDIFATAKALTQETSLYVTGTINEDTRSPFGYEMAVSSVEVISESHD-YPITPKEHGTEFL---MDHRHLWLRSNRQHAIMKIRNEIIRASYEFFNKEGFLKIDPPILTGSAPEGTTELFHTKYFEEDAFLSQSGQLYME-AAAMAFGKVFSFGPTFRAEKSKTRRHLIEFWMIEPEMAFYKLEDS-LQVQENYVAFLVKAVLDNCRLELDRLGRDVSHLEKMVAPFPRITYTEAIERLHELGFDDIVWGDDFGAPHETAIA----DSFEKPV-FITHYPKAIKPFYMPEDPENDQVVLCADMIAPEGYG-EIIGGSERIHDLETLQARMEDFDLDQEAYSWYLDLARYGSVPHSGFGLGLERTVAWISGTEHVRETIPFPRLLNRLYP |
| 3NEL Chain:A ((13-438)) | ---------ELNGQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVNFTPKAKLGFEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLDNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTELFPMKYFEEDAFLAQSPQLYKQIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDILNFE---LEEPKLPFPRVSYDKALEILGDLG-KEIPWGEDIDTEGERLLGKYMMENENAPLYFLYQYPSEAKPFYIMKYDNKPEICRAFDL---EYRGVEISSGGQREHRHDILVEQIKEKGLNPESFEFYLKAFRYGMPPHGGFGLGAERLIKQMLDLPNIREVILFPRDRRRLTP |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NEL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -159035 for 3136 contacts (-50.7/contact) +
2D Compatibility (PS) -43875 + (NN) -9847 + (LL) 1420
1D Compatibility (HY) -26400 + (ID) 7450
Total energy: -245187.0 ( -78.18 by residue)
QMean score : 0.463
|
|
|