Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLGSLGNSSSSVSATFLLSGIPGLERMHIWISIPLCFMYLVSIPGNCTILFIIKTERSLHEPMYLFLSMLALIDLGLSLCTLPTVLGIFWVGAREISHDACFAQLFFIHCFSFLESSVLLSMAFDRFVAICHPLHYVSILTNTVIGRIGLVSLGRSVALIFPLPFMLKRFPYCGSPVLSHSYCLHQEVMKLACA-------DMKANSIYGMFVIVSTVGIDSLLILFSYALILRTVLSIASRAERFKALNTCVSHIC--------AVLLFYTPMIGLSVIHRFGKQAPHLVQVVMGF--MYLLFPPVMNPIVYSVKTKQIRDRVTHAFCY |
3CAP Chain:A ((49-322)) | ----------------------------------------MLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAI-------MGVAFTWVMALA--------CAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVA-FYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCC |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225292 for 1878 contacts (-120.0/contact) +
2D Compatibility (PS) -25330 + (NN) 3153 + (LL) 3736
1D Compatibility (HY) -22400 + (ID) 2800
Total energy: -268933.0 ( -143.20 by residue)
QMean score : 0.232
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