Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLLDKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
3DJ5 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: 3DJ5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167838 for 1807 contacts (-92.9/contact) +
2D Compatibility (PS) -26179 + (NN) -8174 + (LL) 6020
1D Compatibility (HY) -21600 + (ID) 4000
Total energy: -221771.0 ( -122.73 by residue)
QMean score : 0.400
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