Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTLGDLLAEHTVLPGSAVDHLHAVVGEWQLLADLSFADYLMWVRRDDGVLVCVAQCRPNTGPTVVHTDAVGTVVAANSMPLVAATFSGGVPGREGAVGQQNSCQHDGHSVEVSPVRFGDQVVAVLTRHQPELAARRRSGHLETAYRLCATDLLRMLAEGTFPDAGDVAMSRSSPRAGDGFIRLDVDGVVSYASPNALSAYHRMGLTTELEGVNLIDATRPLISDPFEAHEVDEHVQDLLAGDGKGMRMEVDAGGATVLLRTLPLVVAGRNVGAAILIRDVTEVKRRDRALISKDATIREIHHRVKNNLQTVAALLRLQARRTSNAEGREALIESV-RRVSSIALVHDALSMS-----VDEQVNLDEVIDRILPIMNDVASVDRPIRINRVGDLGVLDSDRATALIMVITELVQNAIEHAFDPAAAEGSVTIRAE-RSARWLDVVVHDDGLGLPQGFSLEKSDSLGLQIVRTLVS---AELDGSLGMRDARERGTDVVLRVPVGRRGRLML |
4R39 Chain:A ((20-225)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DRQLAEVQHRVKNHLAMIVSMIRIQ---SSQAGGVGSQFDSLSRRVEALQLLYQEMDIAGAAKATDKIIPLGAYLGRIASAINHIDGRG-AIKVNVQADTVDVPVETAGRIGLLVSEVLTNALQHAFSDRAS-GVVQLRSSVMSGEQLRVTVEDDGRGIPEDCDWPNEGNLGSRIVRQLVQGLGAELNVTRG-----GTGTIVNIDIPLSQQKTLI- |
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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) -116159 for 1566 contacts (-74.2/contact) +
2D Compatibility (PS) -20651 + (NN) -7454 + (LL) 20016
1D Compatibility (HY) -15600 + (ID) 3100
Total energy: -142948.0 ( -91.28 by residue)
QMean score : 0.485
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