Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQRIRIIDSHTGGEPTRLVIGGFPDLGQGDMAERRRLLGERHDAWRAACILEPRGSDVLVGALLCAPVDPEACAGVIFFNNSGYLGMCGHGTIGLVASLAHLGRIG--------PGVHRIETPVGEVEATLH-------EDGSVSVRNVPAYRYRRQVSVEVPG-IGRVSGDIAWGGNWFFLVAGH--GQRLAGDNLDALTA----YTVAVQQALDDQDIRGEDGGAIDHIELFA--DDPHADSRNFVLCPGKAYDRSPCGTGTSAKLACLAADGKLLPGQPWRQASVIGSQFEGRYEWLDGQPG-----------GPIVPT--IRGRAHVSAEATLLLADDDPFAWGIRR |
1W61 Chain:A ((49-389)) | ------IDMHTEGEAARIVTSGLPHIPGSNMAEKKAYLQENMDYLRRGIMLEPRGHDDMFGAFLFDPIEEGADLGIVFMDTGGYLNMCGHNSIAAVTAAVETGIVSVPAKATNVPVV--LDTPAGLVRGTAHLQSGTESEVSNASIINVPSFLYQQDVVVVLPKPYGEVRVDIAFGGNFFAIVPAEQLGIDISVQNLSRLQEAGELLRTEINRSVKVQHPQLPHINTVDCVEIYGPPTNPEANYKNVVIFGNRQADRSPCGTGTSAKMATLYAKGQLRIGETFVYESILGSLFQGRVLGEERIPGVKVPVTKDAEEGMLVVTAEITGKAFIMGFNTMLFDPTDPFKNGFTL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1W61.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174563 for 2691 contacts (-64.9/contact) +
2D Compatibility (PS) -32726 + (NN) -12925 + (LL) 1080
1D Compatibility (HY) -24400 + (ID) 5800
Total energy: -249334.0 ( -92.65 by residue)
QMean score : 0.502
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