Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYFLEQTDSEIFEFIVEEFKRQNEHLEMIASENYTFPSVMEAMGSILTNKYAEGYPNKRYYGGCEVVDKIESLAIERAKKLFNCQFANVQAHSGSQANNAVYHALLKLYDKILGMDLSCGGHLTHGAKVSLTGKHYQSFSYGVGL-DGYIDYEEALKIAQSVKPQIIVCGFSAYPREIDFKKFREIADAVGALLLGDIAHVAGLVVANEHAHPFPHCHVVSSTTHKTLRGPRGGLILTNDEEIAAKIDKAIFPGTQGGPLMHVIAAKAVGFKENLKPEFKAYAKLVKSNMQVLAKTLKEKNHKLVSGGTSNHLLLMDFLDKPYSGKDADIALGNAGITVNKNTIPGETRNPFVTSGIRIGSAALSARGMGAKEFEIIGNKISDILNDINNV-----SLQLHVKEELKTMANQFPVYHQPIF |
3ECD Chain:A ((9-425)) | FSQSLAERDASVRGAILKELERQQSQVELIASENIVSRAVLDAQGSVLTNKYAEG------------ADEVEALAIERVKRLFNAGHANVQPHSGAQANGAVMLALAKPGDTVLGMSL------------------FNALQYGVSRDTMLIDYDQVEALAQQHKPSLIIAGFSAYPRKLDFARFRAIADSVGAKLMVDMAHIAGVIAAGRHANPVEHAHVVTSTTHKTLRGPRGGFVLTNDEEIAKKINSAVF-----GPLMHVIAGKAVAFGEALTDDFKTYIDRVLANAQALGDVLKAGGVDLVTGGTDNHLLLVDLRPKGLKGAQVEQALERAGITCNKNGIPFDPEKPTITSGIRLGTPAGTTRGFGAAEFREVGRLILEVFEALRTNPEGDHATEQRVRREIFALCERFPIY----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ECD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209154 for 3322 contacts (-63.0/contact) +
2D Compatibility (PS) -40849 + (NN) -21134 + (LL) 640
1D Compatibility (HY) -29200 + (ID) 9500
Total energy: -309197.0 ( -93.08 by residue)
QMean score : 0.530
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