Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLAQATTAGSFNHHASTVLQGCRGVPAAMWSEPAGAIRRHCATIDGMDCEVAREALSARLDGERAPVPSARVDEHLGECSACRAWFTQVASQAGDLRRLAESRPVVPPVGRLGIRRAPRRQHSPMTWRRWALLCVGIAQIALGTVQGFGLDVGLTHQHPTGAGTHLLNESTSWSIALGVIMVGAALWPSAAAGLAGVLTAFVAILTGYVIVDALSGAVSTTRILTHLPVVIGAVLAIMVWRSASGPRPRPDAVAAEPDIVLPDNASRGRRRGHLWPTDGSAA |
3HUG Chain:B ((25-74)) | -------------------------------------------------HHYAMWDAAYVLGALSAADRREFEAHLAGCPECRGAVTELCGVPALLSQL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12405 for 284 contacts (-43.7/contact) +
2D Compatibility (PS) -5012 + (NN) 752 + (LL) 14928
1D Compatibility (HY) -2000 + (ID) 500
Total energy: -4237.0 ( -14.92 by residue)
QMean score : 0.598
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