Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLLDKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
| 3DJ6 Chain:A ((16-269)) | -------------IGRPLGKGKFGNVYLARERQSKFILALKVLFKTQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDAT-RVYLILEYAPLGTVYRELQKLSRFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSNGELKIADFGW-----------T----TLCGTLDYLPPEMIEGRMHDEKV-DLWSLGVLCYEFLVGMPPFEAHTYQETYR--RISRVEFTFPDFVTEGARDLISRLLKHNASQRLTLAEVLEHPWIKANSS--------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DJ6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167096 for 1808 contacts (-92.4/contact) +
2D Compatibility (PS) -26109 + (NN) -7189 + (LL) 6020
1D Compatibility (HY) -21600 + (ID) 4000
Total energy: -219974.0 ( -121.67 by residue)
QMean score : 0.443
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