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 |
1B8A Chain:A ((13-438)) | ---------ELNGQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVNFTPKAKLGFEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLNNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTELFPMKYFEEDAFLAESPQLYKEIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDILNFE---LEEPKLPFPRVSYDKALEILGDLG-KEIPWGEDIDTEGERLLGKYMMENENAPLYFLYQYPSEAKPFYIMKYDNKPEICRAFDL---EYRGVEISSGGQREHRHDILVEQIKEKGLNPESFEFYLKAFRYGMPPHGGFGLGAERLIKQMLDLPNIREVILFPRDRRRLTP |
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General information:
TITO was launched using:
| RESULT:
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Template: 1B8A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166322 for 3178 contacts (-52.3/contact) +
2D Compatibility (PS) -43767 + (NN) -8535 + (LL) 1420
1D Compatibility (HY) -26400 + (ID) 7400
Total energy: -251004.0 ( -78.98 by residue)
QMean score : 0.476
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