Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLIGLVIVALVLLAACGSNNDKKVTIGVASN--DTKAWEKVKELAKKDDIDVEIKHFSDYNLPNKALNDGDIDMNAFQHFAFLDQYKKAHKGTKISALSTTVLAPLGIYSDKIKDVKKVKDGAKVVIPNDVSNQARALKLLEAAGLIKLKKDFGL-AGTVKDITSNPKHLKITAVDAQQTARALSDVDIAVINNGVATKAGKDPKNDPIFLEKSNSDAVKPYINIVAVNDKDLDNKTYAKIVELYHSKEAQKALQEDVKDGEKPVNLSKDEIKAIETSLAK |
3IR1 Chain:A ((2-237)) | ------------------------EIVFGTTVGDFGDMVKEQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEH-NLDITEVFQVPTAPLGLYPGKLKSLEEVKDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMKL-TEALFQEP----S-FAYVNWSAVKTADKDSQWLKDVTEAYNSDAFKAYAHKRFEGYKSPA---------------- |
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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) -37787 for 1906 contacts (-19.8/contact) +
2D Compatibility (PS) -25753 + (NN) -16768 + (LL) 3576
1D Compatibility (HY) -12000 + (ID) 3900
Total energy: -92632.0 ( -48.60 by residue)
QMean score : 0.605
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