Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLLDKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
| 3DJ7 Chain:A ((16-269)) | -------------IGRPLGKGKFGNVYLARERQSKFILALKVLFKTQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDAT-RVYLILEYAPLGTVYRELQKLSRFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSNGELKIADFGWSVHA--PS----------CGTLDYLPPEMIEGRMHDEKV-DLWSLGVLCYEFLVGMPPFEAHTYQETYR--RISRVEFTFPDFVTEGARDLISRLLKHNASQRLTLAEVLEHPWIKANSS--------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DJ7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159893 for 1994 contacts (-80.2/contact) +
2D Compatibility (PS) -26717 + (NN) -11412 + (LL) 6320
1D Compatibility (HY) -21200 + (ID) 4050
Total energy: -216952.0 ( -108.80 by residue)
QMean score : 0.355
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