Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLSKQLYKSLPLLTVVLCVGALQQNVEAKAKHYKTTSHVETQYVSTSSKKILPFTHNKQIKVGPLDNLGRATYSHIQLRDADEPKIKRERLTYNPTGWHNYKFTTEKGKTTWLMDRGHLVGYQFSGMNNVPENLVTMTKYLNTGFSENNPDGMLYYENRLDSWLANHKNFWLDYKVTPIYEGNNLVPSRVELQYVGIDKQGKLLEIKLGGGKEQTDEYGVTTVTLENTSPLAKIDYKTGMLIKEDGKQAEEGEDPNSDADENEAAIESASDIEENTNTNTSESDTNNVAPKNRIVYVANKGRSNTYWYSLENIKNANTANIVQMTEQEALNQHKHHSTTEAQ |
2M47 Chain:A ((39-107)) | -------------------------------------------------------------------------------------------------------------KCWWDEDEGPVVGAHFTGRNVTPERT-----------WETRSEVIVAEPNRCFGWSVTDGNVKWIYSMEPLEEGTVLTESWEFTPKGQRFFHDKFGDKSIEEIEKRRLAAITGIPETLVAIQRILEVELEHHHHHH-------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2M47.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2662 for 367 contacts (-7.3/contact) +
2D Compatibility (PS) -7010 + (NN) 2461 + (LL) 12444
1D Compatibility (HY) -800 + (ID) 1100
Total energy: 3333.0 ( 9.08 by residue)
QMean score : -0.153
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