Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHAL------------EDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLW---------ESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTR-NDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQA-----AVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVV-AGEPRYGDYRYAVNNSFGFGGHNVALAFGRY |
2IX4 Chain:B ((3-428)) | -------------VVVTGLGMVTPLGRGVETTWRRLIDGECGIRGLTLDDLKMKSFDEETKLYTFDQLSSKVAAFV--PYGSNPGEFDEALWLNSKAVANFIGYAVCAADEALRDAEWLPTEEEEKERTGVSIGGGIGSICDIVEAAQLICEKRLRRLSPFFIPKILVNMASGHVSMKYGFQGPNHAAVTACATGAHSIGDATRMIQFGDADVMVAGGTESSIDALSVAGFSRSRALSTKFNSSPQEASRPFDCDRDGFVIGEGSGVIVLEEYEHAKRRGAKIYAELCGYGMSGDAHHITQPPEDGKGAVLAMTRALRQSGLCPNQIDYVNAHATSTPIGDAVEARAIKTVFSEHATSGTLAFSSTKGATGHLLGAAGAVEAIFSILAIHHGVAPMTLNVKNPDPIFDKRFMPLTTSKKMLVRTAMSNSFGFGGTNASLLF--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181254 for 3802 contacts (-47.7/contact) +
2D Compatibility (PS) -42810 + (NN) -19161 + (LL) -124
1D Compatibility (HY) -22800 + (ID) 8150
Total energy: -274299.0 ( -72.15 by residue)
QMean score : 0.475
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