Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLIGLVIVALVLLAACGSNNDKKVTIGVASNDTKAWEKVKELAKKDDIDVEIKHFSDYNLPNKALNDGDIDMNAFQHFAFLDQYKKAHKGTKISALSTTVLAPLGIYSDKIKDVKKVKDGAKVVIPNDVSNQARALKLLEAAGLIKLKKDFG-LAGTVKDITSNPKHLKITAVDAQQTARALSDVDIAVINNGVATKAGKDPKNDPIFLEKSNSDAVKPYINIVAVNDKDLDNKTYAKIVELYHSKEAQKALQEDVKDGEKPVNLSKDEIKAIETSLAK |
3IR1 Chain:B ((18-219)) | --------------------------------------EQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEHN-LDITEVFQVPTAPLGLYPGKLKSLEEVKDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMK-LTEALFQEPSFA-----YVNWSAVKTADKDSQWLKDVTEAYNS---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -44134 for 1546 contacts (-28.5/contact) +
2D Compatibility (PS) -21838 + (NN) -11651 + (LL) 5440
1D Compatibility (HY) -13200 + (ID) 3900
Total energy: -89283.0 ( -57.75 by residue)
QMean score : 0.627
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