Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRNDDMAVVVNGVRKTYGKG---KIVALDDVSFKVRRGEVIGLLGPNGAGKTTMVDILSTLTRPDAGSAIIAGYDVVSE---PAGVRRSIMVTGQQVA-VDDALSGEQNLVLFGRLWGLSKSAARKRAAELLEQFSLV-HAGKRRVGTYSGGMRRRIDIACGLVVQPQVAFLDEPTTGLDPRSRQAIWDLVASFKK-LGIATLLTTQYLEEADALSDRIILIDHGIIIAEGTANELKHRAGDTFCEIVPRDLKDLDAIVAALGSLLPEHHRAMLTPDSDRITMPAPDGIRMLVEAARRIDEARIELADIALRRPSLDHVFLAMTTDPTESLTHLVSGSAR |
| 4MKI Chain:B ((5-238)) | -----MPIKVENVSFIYNEGTPYATVALKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFEETVFKDIAFGPSNLGLSEEEVKERVYEAMEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILVSHNMEDIARIADKIIVMNRGKIELIGTPREVFRE----------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140220 for 1803 contacts (-77.8/contact) +
2D Compatibility (PS) -24397 + (NN) -5926 + (LL) 7332
1D Compatibility (HY) -14400 + (ID) 3150
Total energy: -180761.0 ( -100.26 by residue)
QMean score : 0.535
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