Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSTLGDLLAEHTVLPGSAVDHLHAVVGEWQLLADLSFADYLMWVRRDDGVLVCVAQCRPNTGPTVVHTDAVGTVVAANSMPLVAATFSGGVPGREGAVGQQNSCQHDGHSVEVSPVRFGDQVVAVLTRHQPELAARRRSGHLETAYRLCATDLLRMLAEGTFPDAGDVAMSRSSPRAGDGFIRLDVDGVVSYASPNALSAYHRMGLTTELEGVNLIDATRPLISDPFEAHEVDEHVQDLLAGDGKGMRMEVDAGGATVLLRTLPLVVAGRNVGAAILIRDVTEVKRRDRALISKDATIREIHHRVKNNLQTVAALLRLQARRTSNAEGREALIESVRRVSSIALVHDALSMS-----VDEQVNLDEVIDRILPIMNDVASVDRPIRINRVGDLGVLDSDRATALIMVITELVQNAIEHAFDPAAAEGSVTIRAERSAR-WLDVVVHDDGLGLPQGFSLEKSDSLGLQIVRTLVSAELDGSLGMRDARERGTDVVLRVPVGRRGRLML--- |
| 4R39 Chain:A ((13-229)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PDRATELDRQLAEVQHRVKNHLAMIVSMIRIQSSQAGGVG--SQFDSLSRRVEALQLLYQEMDIAGAAKATDKIIPLGAYLGRIASAINHIDGRGAIKVNVQADTV-DVPVETAGRIGLLVSEVLTNALQHAF-SDRASGVVQLRSSVMSGEQLRVTVEDDGRGIPEDCDWPNEGNLGSRIVRQLVQG-LGAELNVTR-GGTGTIVNIDIPLSQQKTLIADER |
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General information:
TITO was launched using:
| RESULT:
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Template: 4R39.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105790 for 1703 contacts (-62.1/contact) +
2D Compatibility (PS) -22205 + (NN) -9153 + (LL) 18160
1D Compatibility (HY) -14000 + (ID) 2600
Total energy: -135588.0 ( -79.62 by residue)
QMean score : 0.495
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