Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRNDDMAVVVNGVRKTYGKGKIVALDDVSFKVRRGEVIGLLGPNGAGKTTMVDILSTLTRPDAGSAIIAGYDVVSEPAGVRRSIMVT--GQQVAVDDALSGEQNLVLFGRLW------GLSKSAARKRAAELLEQFSLVHAGKRRVGTYSGGMRRRIDIACGLVVQPQVAFLDEPTTGLDPRSRQAIWDLVASFKKLGIATLLTTQYLEEADALSDRIILIDHGIIIAEGTANELKHRAGDTFCEIVPRDLKDLDAIVAALGSLLPEHHRAMLTPDSDRITMPAPDGIRMLVEAARRIDEARIELADIALRRPSLDHVFLAMTTDPTESLTHLVSGSAR |
| 4WBS Chain:A ((39-265)) | ------SLVVRNLKKRYGSRTVV--KDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEENIRAVLELQVGDDGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDI-------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WBS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145106 for 1743 contacts (-83.3/contact) +
2D Compatibility (PS) -23809 + (NN) -6964 + (LL) 8068
1D Compatibility (HY) -13600 + (ID) 3850
Total energy: -185261.0 ( -106.29 by residue)
QMean score : 0.546
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