Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | GNEIADSTVSLVKFIKPDPDAIFSSTCFGDTVSSDPAFSIPIKQESCKNTCSSALFKGSQSANPFPFMDGSYFAFMDDKDYYSLSGILGPPVSSFGDGFEGNGFSNQSLNVAIKQETEDSSFYPENNMPSSAIVGVNSCGQSFHYRIGAQGTISLSRPLNRDQSFQNLSSFPPMSSLVESWKTQSELAQNTLSSRRNDGFPVPGYIPENMSSTTLRSMSTGPSRPSKVCLVCGDEASGCHYGVVTCGSCKVFFKRAVEGKCSRQHSYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGVHEEHPQQPLQQTPTASPKEDTTLTSSSKEPSANSNSLVPLISAVSPAITLSAAVILENIEPEIVYAGYDNTQPDTAENLLSSLNQLAGKQMVQVVKWAKVIPGFRNLPLEDQITLIQYSWMCLSSFALSWRSYKHASSQFLYFAPDLIFNEERMRQSAMYDLCQGMQQISLEFSRLQLTFEEYTLMKVLLLLSTVPKDGLKCQAAFEEMRVNYIKELRKVLLKSPHNSGQSWQRYFQLTKLLDSMQDLVGDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGIAKPLYFHRK |
3MNO Chain:A ((4-261)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVPAALPQLTPTLVSLLEVIEPEVLYAG---SVPDSAWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMVFALGWRSYRQASGNLLCFAPDLIINEQRMTLPCMYDQCKHMLFISTELQRLQVSYEEYLCMKTLLLLSSVPKEGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHDVVENLLSYCFQTFLD-KSMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MNO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171139 for 1960 contacts (-87.3/contact) +
2D Compatibility (PS) -27254 + (NN) -15059 + (LL) 13232
1D Compatibility (HY) -31600 + (ID) 7050
Total energy: -238870.0 ( -121.87 by residue)
QMean score : 0.559
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